      14
 i =        1, E =     -1643.7366934764
 Fe        14.9487446855       15.1783558850       14.3487696959
  O        15.0492738509       16.9697989992       13.3150808023
  H        14.2426814504       17.4857702372       13.1184504054
  O        14.9353543058       13.2262341031       13.4383554300
  H        15.2712554586       12.4461138615       13.9208603429
  O        17.0422911687       15.2056796542       13.8991032956
  H        17.4788517940       14.6547873399       13.2333499317
  O        13.1565296922       15.0911809782       14.2451751298
  H        12.4931860662       15.2032620824       14.9499705068
  O        15.5326814996       15.2081424590       16.0512039949
  H        15.0438437486       15.3121744175       16.8820736132
  H        17.5063697859       15.0909654696       14.7545167034
  H        13.9711310038       13.0857658367       13.3162971778
  H        15.8297563346       17.5541503364       13.2958463477
      14
 i =        2, E =     -1643.7373246266
 Fe        14.9409041037       15.1687950702       14.3546064538
  O        15.0503393329       16.9666634650       13.3105835161
  H        14.2441825912       17.4856080054       13.1188828719
  O        14.9367937362       13.2240754248       13.4342926291
  H        15.2709973197       12.4462620666       13.9204755661
  O        17.0440408144       15.2025939180       13.8979230560
  H        17.4810038074       14.6531897064       13.2318398388
  O        13.1580508940       15.0871951594       14.2424937984
  H        12.4932019624       15.2029862319       14.9491093900
  O        15.5337217369       15.2035005191       16.0510203289
  H        15.0432355374       15.3122124917       16.8836051861
  H        17.5063896568       15.0906629791       14.7532464318
  H        13.9719830786       13.0854061491       13.3164480450
  H        15.8291007788       17.5541479664       13.2956311748
      14
 i =        3, E =     -1643.7379356924
 Fe        14.9397146677       15.1710338015       14.3581573870
  O        15.0516736816       16.9612694073       13.3046805202
  H        14.2466194150       17.4851606230       13.1196000102
  O        14.9385611756       13.2204904177       13.4284190466
  H        15.2707872010       12.4461475646       13.9199765887
  O        17.0453254273       15.1981438892       13.8963277457
  H        17.4847403170       14.6503431984       13.2292166944
  O        13.1578311704       15.0807897953       14.2399803455
  H        12.4940268471       15.2023675018       14.9466736146
  O        15.5344276916       15.1960529224       16.0520735735
  H        15.0429510478       15.3121351804       16.8850164460
  H        17.5067746310       15.0900311690       14.7515323785
  H        13.9732142031       13.0847213865       13.3165073668
  H        15.8280420103       17.5538656263       13.2953805490
      14
 i =        4, E =     -1643.7386943745
 Fe        14.9433193477       15.1772726501       14.3565244448
  O        15.0567662096       16.9423774709       13.2849843743
  H        14.2564777928       17.4822778139       13.1225414268
  O        14.9447752919       13.2068733752       13.4085038539
  H        15.2704090779       12.4446818075       13.9184590766
  O        17.0482895270       15.1814253624       13.8892736449
  H        17.4996836809       14.6390316136       13.2193783804
  O        13.1559587514       15.0567978427       14.2322944116
  H        12.4976034193       15.1995651487       14.9361918164
  O        15.5353623487       15.1692055538       16.0602297994
  H        15.0433446425       15.3113097071       16.8885866787
  H        17.5094103867       15.0868899177       14.7454007330
  H        13.9774630344       13.0817684277       13.3164462135
  H        15.8232366816       17.5510713527       13.2945190877
      14
 i =        5, E =     -1643.7388720478
 Fe        14.9420437793       15.1721443305       14.3554454713
  O        15.0560786555       16.9465694870       13.2894874028
  H        14.2558497281       17.4813168625       13.1224458706
  O        14.9436292865       13.2084381910       13.4130287980
  H        15.2709078500       12.4436305687       13.9190840009
  O        17.0472410155       15.1834334830       13.8893203006
  H        17.4988306283       14.6398473553       13.2207608728
  O        13.1575189020       15.0605602082       14.2338500510
  H        12.4969812378       15.1994893300       14.9367922699
  O        15.5342520257       15.1742570411       16.0607401771
  H        15.0436817719       15.3110706175       16.8880485776
  H        17.5100069503       15.0864825529       14.7457609290
  H        13.9765871013       13.0816551435       13.3162020425
  H        15.8233818080       17.5497390584       13.2946642577
      14
 i =        6, E =     -1643.7389710805
 Fe        14.9428708337       15.1727534142       14.3560469336
  O        15.0557905098       16.9472763990       13.2927907574
  H        14.2561619304       17.4797663564       13.1227639979
  O        14.9430389482       13.2078559231       13.4158634838
  H        15.2715678158       12.4416656308       13.9197117213
  O        17.0467609843       15.1828958788       13.8885817617
  H        17.5004111654       14.6389437952       13.2210079371
  O        13.1590680352       15.0613124201       14.2346889681
  H        12.4966967061       15.1987969958       14.9355836418
  O        15.5333680708       15.1760908369       16.0619453473
  H        15.0436310209       15.3107154859       16.8889641647
  H        17.5111687737       15.0853055894       14.7446200692
  H        13.9761522484       13.0807815417       13.3158096027
  H        15.8235180330       17.5478205174       13.2947369110
      14
 i =        7, E =     -1643.7391214225
 Fe        14.9425888238       15.1742468856       14.3573767527
  O        15.0550469905       16.9463458995       13.3016284645
  H        14.2559522078       17.4757845483       13.1235772382
  O        14.9415989244       13.2054211978       13.4230060313
  H        15.2732814552       12.4355472815       13.9214760988
  O        17.0470328725       15.1804441304       13.8869432246
  H        17.5052202542       14.6362153106       13.2218229158
  O        13.1637524850       15.0628299203       14.2362426059
  H        12.4954327452       15.1965668586       14.9318860296
  O        15.5320569805       15.1801530738       16.0649733067
  H        15.0424895414       15.3098036654       16.8936065613
  H        17.5144089204       15.0817127936       14.7402375988
  H        13.9752576323       13.0777168101       13.3147906148
  H        15.8253785320       17.5429093329       13.2949052448
      14
 i =        8, E =     -1643.7391904114
 Fe        14.9433578458       15.1731177121       14.3573060745
  O        15.0551127677       16.9436612542       13.3036865736
  H        14.2549400512       17.4738980790       13.1240227505
  O        14.9415138815       13.2030104054       13.4245491420
  H        15.2736302593       12.4320139769       13.9221298366
  O        17.0487018221       15.1785649602       13.8860944389
  H        17.5079894959       14.6345711315       13.2222349769
  O        13.1647094631       15.0627012781       14.2360012691
  H        12.4943246422       15.1949987902       14.9293772269
  O        15.5322377216       15.1804635237       16.0672918045
  H        15.0412363585       15.3092672725       16.8975562568
  H        17.5164125801       15.0795087949       14.7374763522
  H        13.9754369694       13.0751991826       13.3145242110
  H        15.8275689245       17.5404496869       13.2949528514
      14
 i =        9, E =     -1643.7393165857
 Fe        14.9448227128       15.1723915722       14.3580670483
  O        15.0559498253       16.9403313818       13.3031179378
  H        14.2538694166       17.4696242393       13.1252441803
  O        14.9424010915       13.1976591616       13.4246291046
  H        15.2734011179       12.4257816460       13.9227207731
  O        17.0514278511       15.1759097574       13.8839609366
  H        17.5133131201       14.6310617370       13.2223510359
  O        13.1646289767       15.0615401206       14.2344227338
  H        12.4917179844       15.1918096533       14.9244872128
  O        15.5318535572       15.1793644019       16.0742045356
  H        15.0395218447       15.3079125326       16.9040026778
  H        17.5210593963       15.0751905352       14.7337203937
  H        13.9764224112       13.0696769632       13.3143851834
  H        15.8309295627       17.5347793789       13.2950003934
      14
 i =       10, E =     -1643.7394103594
 Fe        14.9435891802       15.1728615425       14.3593946362
  O        15.0570844886       16.9377943790       13.2999401192
  H        14.2538146268       17.4629558416       13.1273632726
  O        14.9440065554       13.1913242845       13.4234431474
  H        15.2723397908       12.4174343382       13.9228510707
  O        17.0541301402       15.1736459411       13.8818897372
  H        17.5204206908       14.6258347988       13.2217369271
  O        13.1649230320       15.0598385940       14.2316075397
  H        12.4869796955       15.1871064526       14.9179410825
  O        15.5305714212       15.1772628616       16.0844896432
  H        15.0371522249       15.3057306267       16.9128987466
  H        17.5281671387       15.0691558502       14.7297058130
  H        13.9783189569       13.0612380821       13.3143814332
  H        15.8346602483       17.5260608985       13.2948430921
      14
 i =       11, E =     -1643.7394275758
 Fe        14.9438889066       15.1729253976       14.3593672283
  O        15.0572645683       16.9376780675       13.2990014373
  H        14.2543711986       17.4626626187       13.1276850102
  O        14.9442493722       13.1923793862       13.4231911283
  H        15.2714739772       12.4174521624       13.9217958514
  O        17.0540341878       15.1740749983       13.8826222626
  H        17.5196773527       14.6259072035       13.2217541440
  O        13.1649552814       15.0601596262       14.2317700360
  H        12.4855993023       15.1862116697       14.9171214706
  O        15.5297390866       15.1770902159       16.0846959130
  H        15.0365288844       15.3052269050       16.9142281426
  H        17.5290939935       15.0687438943       14.7302325026
  H        13.9789342829       13.0597378018       13.3143850261
  H        15.8347196317       17.5252993971       13.2944262334
      14
 i =       12, E =     -1643.7394575486
 Fe        14.9435129839       15.1731183370       14.3594529364
  O        15.0581201947       16.9360946118       13.2971256797
  H        14.2552979875       17.4631205854       13.1283653972
  O        14.9446256753       13.1950689145       13.4229390672
  H        15.2689875616       12.4187529567       13.9179125414
  O        17.0544293869       15.1747776632       13.8846886698
  H        17.5157475829       14.6273200208       13.2225249363
  O        13.1648070951       15.0613349075       14.2328542948
  H        12.4815195734       15.1834626674       14.9145742367
  O        15.5267592114       15.1770662419       16.0858193599
  H        15.0353298664       15.3034290062       16.9165776270
  H        17.5312808180       15.0680176013       14.7320814204
  H        13.9806725855       13.0558267713       13.3140799239
  H        15.8351998680       17.5241223222       13.2929082751
      14
 i =       13, E =     -1643.7394644857
 Fe        14.9435318938       15.1729232214       14.3596215493
  O        15.0579113026       16.9360230949       13.2973042654
  H        14.2555127548       17.4633861415       13.1285103144
  O        14.9441137425       13.1951380308       13.4227381774
  H        15.2692092522       12.4187886533       13.9173027980
  O        17.0543467093       15.1750448807       13.8856069361
  H        17.5148181096       14.6275289753       13.2224164929
  O        13.1647765206       15.0613704301       14.2328932037
  H        12.4805132372       15.1828241157       14.9140427640
  O        15.5267133079       15.1771903389       16.0861494350
  H        15.0351702560       15.3029229388       16.9166674815
  H        17.5314060604       15.0679988538       14.7321480843
  H        13.9807507753       13.0554781873       13.3136576979
  H        15.8355093306       17.5241275976       13.2924968857
      14
 i =       14, E =     -1643.7394817586
 Fe        14.9437308347       15.1728564884       14.3598241764
  O        15.0576151038       16.9364733365       13.2984199867
  H        14.2559916994       17.4644578311       13.1289304861
  O        14.9428635004       13.1947444636       13.4221694325
  H        15.2707039371       12.4186607481       13.9156505134
  O        17.0537004440       15.1756702634       13.8873852219
  H        17.5117724121       14.6282963593       13.2221107722
  O        13.1645023292       15.0612312048       14.2329581144
  H        12.4775339259       15.1808045541       14.9122455580
  O        15.5274302073       15.1775722541       16.0869020847
  H        15.0346205733       15.3012941628       16.9167494350
  H        17.5317851226       15.0679844036       14.7326194721
  H        13.9800487050       13.0548975592       13.3119122298
  H        15.8362216446       17.5240363527       13.2911735100
      14
 i =       15, E =     -1643.7394999465
 Fe        14.9432745703       15.1728942459       14.3599156978
  O        15.0578429711       16.9376181174       13.2998181153
  H        14.2565169510       17.4663373817       13.1295845612
  O        14.9422603324       13.1942126141       13.4215912859
  H        15.2732287841       12.4183175482       13.9130861768
  O        17.0525764223       15.1762193822       13.8881642620
  H        17.5070757892       14.6295594268       13.2217283390
  O        13.1640536933       15.0609777291       14.2332482762
  H        12.4733785093       15.1775921929       14.9090197570
  O        15.5286301021       15.1778881346       16.0874223113
  H        15.0336374243       15.2987283986       16.9168530446
  H        17.5325042069       15.0678972534       14.7337227842
  H        13.9782874435       13.0541134145       13.3090783930
  H        15.8369121907       17.5235699337       13.2891150668
      14
 i =       16, E =     -1643.7395061733
 Fe        14.9432965062       15.1728069431       14.3598521476
  O        15.0578464058       16.9377820440       13.2992351939
  H        14.2566625403       17.4669061560       13.1298175013
  O        14.9427395339       13.1945984681       13.4216551390
  H        15.2737798433       12.4179717728       13.9124071202
  O        17.0524999989       15.1762526748       13.8876433261
  H        17.5065162004       14.6293679151       13.2211123632
  O        13.1641896825       15.0609528844       14.2333032902
  H        12.4727638773       15.1767295241       14.9078292650
  O        15.5282909210       15.1775853428       16.0869436218
  H        15.0334025369       15.2980047397       16.9166114879
  H        17.5323235870       15.0678589356       14.7334264078
  H        13.9784127328       13.0539661062       13.3085650463
  H        15.8370788926       17.5233969647       13.2886177934
      14
 i =       17, E =     -1643.7395212045
 Fe        14.9429238528       15.1729659146       14.3597393032
  O        15.0578157895       16.9378344146       13.2977063675
  H        14.2570519917       17.4687692237       13.1305616207
  O        14.9432173618       13.1949824958       13.4219424620
  H        15.2752953326       12.4172323487       13.9100667707
  O        17.0524673154       15.1763204738       13.8864127060
  H        17.5051734411       14.6285045066       13.2190228737
  O        13.1652560181       15.0608042061       14.2327079818
  H        12.4704633079       15.1741857367       14.9046248397
  O        15.5273503530       15.1768306811       16.0858204793
  H        15.0327973852       15.2957263888       16.9155611085
  H        17.5315326388       15.0677048026       14.7319197918
  H        13.9800667766       13.0537458169       13.3072099092
  H        15.8376804871       17.5229265111       13.2870977124
      14
 i =       18, E =     -1643.7395237389
 Fe        14.9434641277       15.1730314923       14.3596587846
  O        15.0577730185       16.9377716629       13.2979450663
  H        14.2571357024       17.4688824447       13.1306473899
  O        14.9431701688       13.1947561927       13.4219239696
  H        15.2753433111       12.4172596333       13.9098363316
  O        17.0524397444       15.1762591179       13.8863255802
  H        17.5051584145       14.6284401246       13.2189664423
  O        13.1650832957       15.0608118031       14.2325981937
  H        12.4702968179       15.1740290594       14.9044203468
  O        15.5275849422       15.1769622546       16.0859460294
  H        15.0327423720       15.2955619252       16.9154795459
  H        17.5315381583       15.0676255951       14.7317496769
  H        13.9803078662       13.0537479693       13.3071652706
  H        15.8377165693       17.5228631359       13.2869999693
      14
 i =       19, E =     -1643.7395259058
 Fe        14.9435382585       15.1730540601       14.3595810826
  O        15.0577109408       16.9377422787       13.2983951296
  H        14.2573420480       17.4691148405       13.1308608632
  O        14.9433060388       13.1945634834       13.4218029429
  H        15.2755182763       12.4171304934       13.9094064219
  O        17.0523777299       15.1761428778       13.8861084607
  H        17.5051252969       14.6282805291       13.2188141826
  O        13.1649025095       15.0608309591       14.2323842941
  H        12.4699170392       15.1736633603       14.9039450517
  O        15.5280789264       15.1772118572       16.0861458548
  H        15.0325817641       15.2951842991       16.9153426363
  H        17.5315793867       15.0674395800       14.7314037744
  H        13.9805974229       13.0537001025       13.3070370031
  H        15.8377735223       17.5226769303       13.2867724627
      14
 i =       20, E =     -1643.7395307319
 Fe        14.9432806570       15.1729982097       14.3598061100
  O        15.0575295897       16.9378769618       13.3000221909
  H        14.2582956639       17.4702280624       13.1319559731
  O        14.9443673082       13.1945774145       13.4210942900
  H        15.2765927353       12.4159398332       13.9075687119
  O        17.0520902379       15.1757076135       13.8851075277
  H        17.5049350708       14.6274569154       13.2179738289
  O        13.1644066068       15.0608853038       14.2315958188
  H        12.4680260670       15.1718348794       14.9015492813
  O        15.5299175235       15.1781127417       16.0866393499
  H        15.0317043957       15.2933162466       16.9147982604
  H        17.5318568501       15.0665229082       14.7298717510
  H        13.9813704806       13.0533097402       13.3063163585
  H        15.8380907544       17.5216542726       13.2856561892
      14
 i =       21, E =     -1643.7395351802
 Fe        14.9434113667       15.1729881818       14.3598862275
  O        15.0575797318       16.9379233924       13.3000481852
  H        14.2585249337       17.4708503796       13.1325125480
  O        14.9445276146       13.1946876119       13.4210570084
  H        15.2771630579       12.4153495218       13.9066262617
  O        17.0521295107       15.1756039836       13.8847964076
  H        17.5047250896       14.6270830536       13.2175228380
  O        13.1647256486       15.0608142184       14.2314065546
  H        12.4669142619       15.1709444419       14.9004640384
  O        15.5298343408       15.1781224838       16.0865446703
  H        15.0312996902       15.2923745120       16.9145046140
  H        17.5320360242       15.0661005840       14.7292916497
  H        13.9817292186       13.0531098253       13.3059198894
  H        15.8384653763       17.5211599324       13.2851196221
      14
 i =       22, E =     -1643.7395455908
 Fe        14.9432643749       15.1729839427       14.3597914334
  O        15.0576209216       16.9380091136       13.2992735325
  H        14.2588957042       17.4721601677       13.1337559382
  O        14.9447504430       13.1946143383       13.4214964635
  H        15.2782647440       12.4144340362       13.9043983725
  O        17.0523876392       15.1754654814       13.8842070548
  H        17.5040330167       14.6264576453       13.2166629800
  O        13.1652414375       15.0606876176       14.2317597696
  H        12.4648797183       15.1690179978       14.8978153788
  O        15.5289096818       15.1776603326       16.0859117688
  H        15.0303441032       15.2904022223       16.9140849931
  H        17.5325705329       15.0652354683       14.7284653702
  H        13.9822600002       13.0526599254       13.3050295910
  H        15.8395544446       17.5201814560       13.2840027001
      14
 i =       23, E =     -1643.7395462573
 Fe        14.9433454155       15.1730155950       14.3596239034
  O        15.0576695877       16.9380042206       13.2990329758
  H        14.2588921888       17.4722563157       13.1338735870
  O        14.9446219231       13.1946342450       13.4215394915
  H        15.2783271198       12.4143920417       13.9042425324
  O        17.0524188391       15.1755272183       13.8843326960
  H        17.5038818538       14.6264886818       13.2166474900
  O        13.1652256801       15.0606842319       14.2318527322
  H        12.4647377610       15.1689081283       14.8976387064
  O        15.5287192039       15.1775158279       16.0858517568
  H        15.0302564594       15.2902838169       16.9141145038
  H        17.5326641851       15.0651966483       14.7285699734
  H        13.9821975315       13.0526026105       13.3049676965
  H        15.8396688722       17.5201063658       13.2839388868
      14
 i =       24, E =     -1643.7395460502
 Fe        14.9434414258       15.1730388449       14.3595381164
  O        15.0576847134       16.9379930937       13.2991368742
  H        14.2588743776       17.4722307267       13.1338212055
  O        14.9446094218       13.1946714231       13.4214893067
  H        15.2783182451       12.4143702954       13.9043306961
  O        17.0524028612       15.1755157514       13.8843246211
  H        17.5039525886       14.6264637676       13.2166393070
  O        13.1653055504       15.0606712611       14.2317392528
  H        12.4647280888       15.1689628201       14.8977723923
  O        15.5287713266       15.1775790904       16.0859283688
  H        15.0303144572       15.2903273978       16.9140693591
  H        17.5326158673       15.0652148198       14.7285084824
  H        13.9822564713       13.0526292164       13.3049963341
  H        15.8396112767       17.5201289851       13.2839653950
      14
 i =       25, E =     -1643.7395477372
 Fe        14.9434133800       15.1730388831       14.3595158373
  O        15.0577648755       16.9379860638       13.2987384675
  H        14.2588825739       17.4724122506       13.1340477066
  O        14.9444107504       13.1947182117       13.4215474978
  H        15.2784336494       12.4142853699       13.9040367885
  O        17.0524700119       15.1756091360       13.8845377475
  H        17.5036634921       14.6265316005       13.2166235973
  O        13.1654021803       15.0606566913       14.2318015656
  H        12.4643775400       15.1687660916       14.8975143294
  O        15.5284389024       15.1773454625       16.0858390777
  H        15.0301607226       15.2900970392       16.9140937476
  H        17.5327849289       15.0651401066       14.7286899118
  H        13.9821238924       13.0525155514       13.3048819786
  H        15.8398198096       17.5199869065       13.2838421760
      14
 i =       26, E =     -1643.7395505914
 Fe        14.9437246171       15.1731079099       14.3592377827
  O        15.0579577986       16.9379295055       13.2974807188
  H        14.2590962921       17.4732186497       13.1351185311
  O        14.9438641038       13.1948137670       13.4217318137
  H        15.2788895527       12.4139699638       13.9026255228
  O        17.0526688312       15.1759158796       13.8853246561
  H        17.5023821847       14.6268511732       13.2166065965
  O        13.1653977700       15.0606598223       14.2321500454
  H        12.4629602797       15.1678313294       14.8961368201
  O        15.5274040978       15.1766146219       16.0856736286
  H        15.0294571510       15.2890230857       16.9141643613
  H        17.5335085786       15.0647757759       14.7293748118
  H        13.9815043651       13.0519742376       13.3043875626
  H        15.8407003116       17.5193378049       13.2832622556
      14
 i =       27, E =     -1643.7395526365
 Fe        14.9433882262       15.1730463635       14.3594589788
  O        15.0579465325       16.9379341931       13.2977339927
  H        14.2591870370       17.4732829453       13.1352187537
  O        14.9439148093       13.1947999175       13.4216388003
  H        15.2789061428       12.4139313551       13.9025164130
  O        17.0526235007       15.1758858367       13.8853063987
  H        17.5023385021       14.6268521669       13.2166045963
  O        13.1654158142       15.0606773922       14.2320589539
  H        12.4628400803       15.1677613481       14.8960405574
  O        15.5276318263       15.1767652003       16.0857601027
  H        15.0293908435       15.2889315817       16.9141562160
  H        17.5335144143       15.0647378733       14.7293074765
  H        13.9815469909       13.0519410495       13.3043833329
  H        15.8406884025       17.5192638897       13.2832082302
      14
 i =       28, E =     -1643.7395534560
 Fe        14.9433489444       15.1730049663       14.3597024098
  O        15.0579149304       16.9379384043       13.2981981643
  H        14.2593706922       17.4734436821       13.1354567853
  O        14.9439791289       13.1947745923       13.4214772428
  H        15.2789592057       12.4138345622       13.9022590960
  O        17.0525176019       15.1758421241       13.8852735165
  H        17.5022393455       14.6268400514       13.2165768512
  O        13.1653852032       15.0607002054       14.2318986383
  H        12.4625571916       15.1675922401       14.8957925917
  O        15.5280159388       15.1770353879       16.0859254586
  H        15.0292430475       15.2887122258       16.9141290596
  H        17.5335310710       15.0646505682       14.7291678220
  H        13.9816574269       13.0518653502       13.3043637524
  H        15.8407028856       17.5190945543       13.2830856416
      14
 i =       29, E =     -1643.7395538150
 Fe        14.9433358603       15.1730108086       14.3596667753
  O        15.0579140066       16.9379375526       13.2982171971
  H        14.2593827262       17.4734649175       13.1354857164
  O        14.9439862468       13.1947728994       13.4214744339
  H        15.2789681856       12.4138228122       13.9022278727
  O        17.0525131087       15.1758406180       13.8852692073
  H        17.5022268540       14.6268369827       13.2165693429
  O        13.1653845912       15.0607005399       14.2318978752
  H        12.4625309868       15.1675710149       14.8957545825
  O        15.5280248871       15.1770451502       16.0859427121
  H        15.0292296397       15.2886857267       16.9141219652
  H        17.5335345040       15.0646411820       14.7291570509
  H        13.9816634700       13.0518572482       13.3043586912
  H        15.8407149096       17.5190765192       13.2830722270
      14
 i =       30, E =     -1643.7395554502
 Fe        14.9433545051       15.1729914131       14.3597952249
  O        15.0578940349       16.9379637214       13.2986875581
  H        14.2596592780       17.4738862181       13.1360689366
  O        14.9440398857       13.1947420213       13.4213468265
  H        15.2791513066       12.4135715472       13.9016095023
  O        17.0523888985       15.1758098924       13.8851889692
  H        17.5019837735       14.6267720572       13.2164209611
  O        13.1654904964       15.0606907825       14.2317084667
  H        12.4618560263       15.1671610079       14.8951194903
  O        15.5283201849       15.1772963091       16.0861251474
  H        15.0288939133       15.2881548438       16.9140473433
  H        17.5335946183       15.0644485628       14.7289237147
  H        13.9818676524       13.0516973941       13.3042705655
  H        15.8409177543       17.5186912638       13.2827957565
      14
 i =       31, E =     -1643.7395588762
 Fe        14.9434425338       15.1729776697       14.3599344257
  O        15.0578665902       16.9380051044       13.2993296772
  H        14.2602039287       17.4748726796       13.1374153759
  O        14.9442716756       13.1947274272       13.4211767453
  H        15.2796162076       12.4129631325       13.9002231082
  O        17.0522410615       15.1757412435       13.8850085108
  H        17.5014045958       14.6266318640       13.2160667982
  O        13.1654071954       15.0606934274       14.2316597979
  H        12.4605776273       15.1661923553       14.8934100674
  O        15.5286896882       15.1776331201       16.0863843247
  H        15.0281229849       15.2869488146       16.9138934616
  H        17.5337387485       15.0640247261       14.7284515827
  H        13.9821337977       13.0513277879       13.3040275709
  H        15.8414883082       17.5178423415       13.2821769193
      14
 i =       32, E =     -1643.7395599802
 Fe        14.9433123806       15.1729869250       14.3598012310
  O        15.0578982959       16.9379979854       13.2990451361
  H        14.2601800211       17.4749821980       13.1375480683
  O        14.9442592667       13.1947536094       13.4212408090
  H        15.2796999486       12.4128806379       13.9001283326
  O        17.0523115214       15.1757584417       13.8850096926
  H        17.5013473381       14.6266124657       13.2160092150
  O        13.1654396033       15.0606794303       14.2317242339
  H        12.4604735096       15.1661144995       14.8932457380
  O        15.5284771646       15.1774777366       16.0863079182
  H        15.0280636029       15.2868469619       16.9138740169
  H        17.5337659234       15.0639982052       14.7284694635
  H        13.9820805481       13.0513102471       13.3039830103
  H        15.8416097822       17.5177839303       13.2821332645
      14
 i =       33, E =     -1643.7395607808
 Fe        14.9433380010       15.1730172827       14.3596074406
  O        15.0579435985       16.9379920205       13.2986703906
  H        14.2601786338       17.4751790727       13.1378000256
  O        14.9441879503       13.1947425790       13.4213312317
  H        15.2798319973       12.4127673893       13.8999298263
  O        17.0523765424       15.1757954098       13.8850137523
  H        17.5012513661       14.6265732472       13.2159102338
  O        13.1655538363       15.0606491192       14.2317114440
  H        12.4601872259       15.1659825847       14.8930230589
  O        15.5281992284       15.1772725738       16.0862173962
  H        15.0279540308       15.2866552079       16.9138299579
  H        17.5338225546       15.0639405844       14.7284937224
  H        13.9820567404       13.0512827906       13.3039144735
  H        15.8417939930       17.5176613620       13.2820494867
      14
 i =       34, E =     -1643.7395616379
 Fe        14.9433859817       15.1730234583       14.3595655102
  O        15.0579803209       16.9379961364       13.2984507194
  H        14.2602560952       17.4754412436       13.1381628062
  O        14.9440982991       13.1946712911       13.4213871095
  H        15.2799760082       12.4126567952       13.8996254109
  O        17.0523905934       15.1758256086       13.8850145579
  H        17.5011225330       14.6265310377       13.2158068423
  O        13.1656873432       15.0606279356       14.2316088994
  H        12.4597623487       15.1658023691       14.8927367456
  O        15.5280558231       15.1771503090       16.0861737097
  H        15.0277921774       15.2863851564       16.9137675818
  H        17.5339023310       15.0638484061       14.7284942145
  H        13.9820875873       13.0512404652       13.3038415065
  H        15.8419775481       17.5174711974       13.2819255262
      14
 i =       35, E =     -1643.7395650395
 Fe        14.9434297632       15.1730491566       14.3594053028
  O        15.0580871095       16.9379615154       13.2978105579
  H        14.2607012353       17.4767123238       13.1399326078
  O        14.9440503301       13.1946401591       13.4214574596
  H        15.2806686779       12.4119751347       13.8982369621
  O        17.0525216103       15.1758432988       13.8850318318
  H        17.5004599955       14.6264015215       13.2154157828
  O        13.1655463329       15.0606468674       14.2317169668
  H        12.4582802343       15.1648535182       14.8908282111
  O        15.5276798541       15.1767835242       16.0860554634
  H        15.0269809714       15.2850844113       16.9135034401
  H        17.5342235928       15.0634076101       14.7283572018
  H        13.9819967564       13.0509524986       13.3034961347
  H        15.8428337453       17.5165745615       13.2813175427
      14
 i =       36, E =     -1643.7395658822
 Fe        14.9432423416       15.1730033574       14.3595897885
  O        15.0580769045       16.9379639891       13.2980160534
  H        14.2607671024       17.4767884967       13.1400529067
  O        14.9441186409       13.1947042162       13.4213817614
  H        15.2806840086       12.4119205931       13.8981659760
  O        17.0525034794       15.1758145107       13.8850275086
  H        17.5004222345       14.6264115990       13.2154290947
  O        13.1655599174       15.0606567406       14.2317028072
  H        12.4581970741       15.1648023448       14.8907142228
  O        15.5278222115       15.1768966706       16.0860879362
  H        15.0269199908       15.2850093601       16.9134985042
  H        17.5342260893       15.0633777629       14.7283010398
  H        13.9819934687       13.0509156469       13.3034966093
  H        15.8428460964       17.5165135344       13.2812791955
      14
 i =       37, E =     -1643.7395658575
 Fe        14.9432546940       15.1729909905       14.3596617119
  O        15.0580807840       16.9379794097       13.2980264327
  H        14.2607793860       17.4768043122       13.1400826452
  O        14.9440786344       13.1946535754       13.4213975775
  H        15.2806789122       12.4119458537       13.8981282342
  O        17.0524808374       15.1758271182       13.8850197797
  H        17.5004214497       14.6264031345       13.2154184428
  O        13.1656579791       15.0606434518       14.2316220147
  H        12.4581050095       15.1648009041       14.8907526319
  O        15.5278240404       15.1769035643       16.0860844797
  H        15.0269083636       15.2849910905       16.9134922901
  H        17.5342365120       15.0633690174       14.7283073743
  H        13.9820401555       13.0509201503       13.3034990350
  H        15.8428488482       17.5164930689       13.2812717322
      14
 i =       38, E =     -1643.7395663811
 Fe        14.9432915154       15.1729976901       14.3596508987
  O        15.0580637272       16.9379880366       13.2982797880
  H        14.2608809264       17.4769396656       13.1402984127
  O        14.9441185618       13.1946679043       13.4213361277
  H        15.2806994889       12.4119029012       13.8979722195
  O        17.0524294532       15.1758108846       13.8850125270
  H        17.5003667938       14.6264004010       13.2154129923
  O        13.1656578359       15.0606474970       14.2315947168
  H        12.4579382690       15.1647125702       14.8905591736
  O        15.5279762574       15.1770423342       16.0861704028
  H        15.0268211671       15.2848544849       16.9134578254
  H        17.5342539343       15.0633161790       14.7282384818
  H        13.9820906054       13.0508751106       13.3034969629
  H        15.8428910025       17.5163835269       13.2812081348
      14
 i =       39, E =     -1643.7395622164
 Fe        14.9436485552       15.1730988578       14.3592066054
  O        15.0580995402       16.9379184509       13.2974369873
  H        14.2604817418       17.4763131316       13.1393086847
  O        14.9439908971       13.1946290074       13.4215420381
  H        15.2805706191       12.4121093108       13.8986691074
  O        17.0525879890       15.1758663833       13.8850672553
  H        17.5006166621       14.6264250185       13.2154729739
  O        13.1654890249       15.0606505278       14.2317515198
  H        12.4587457708       15.1651035330       14.8913945910
  O        15.5274663130       15.1765892521       16.0859607738
  H        15.0272460709       15.2854681318       16.9135736614
  H        17.5341679938       15.0635457205       14.7284985091
  H        13.9818840061       13.0510564004       13.3035224337
  H        15.8426475600       17.5168789332       13.2814899289
      14
 i =       40, E =     -1643.7395638784
 Fe        14.9432843733       15.1730162156       14.3595306596
  O        15.0580924917       16.9379378713       13.2976574337
  H        14.2605457371       17.4763644347       13.1393988221
  O        14.9440294682       13.1946447880       13.4214806275
  H        15.2805652119       12.4120950762       13.8985971661
  O        17.0525574985       15.1758443465       13.8850553390
  H        17.5005898610       14.6264340022       13.2154886919
  O        13.1655719405       15.0606562026       14.2317017821
  H        12.4586556280       15.1650679316       14.8913375989
  O        15.5276216186       15.1767133398       16.0859840055
  H        15.0271946265       15.2854108321       16.9135730660
  H        17.5341737302       15.0635191622       14.7284537338
  H        13.9819174992       13.0510311391       13.3035311278
  H        15.8426386217       17.5168256030       13.2814581963
      14
 i =       41, E =     -1643.7395631854
 Fe        14.9431589379       15.1729907659       14.3596116240
  O        15.0581107973       16.9379390830       13.2974679310
  H        14.2604886952       17.4763132616       13.1393148677
  O        14.9439986323       13.1946302502       13.4215259365
  H        15.2805675447       12.4121093825       13.8986648274
  O        17.0525967466       15.1758566920       13.8850546632
  H        17.5006123830       14.6264310776       13.2154804091
  O        13.1656205384       15.0606485660       14.2316950559
  H        12.4587019607       15.1651082850       14.8914347303
  O        15.5275079497       15.1766089867       16.0859107526
  H        15.0272256067       15.2854677015       16.9135929598
  H        17.5341689704       15.0635437570       14.7284970165
  H        13.9818882629       13.0510563487       13.3035268177
  H        15.8426346950       17.5168706099       13.2814863371
      14
 i =       42, E =     -1643.7394955072
 Fe        14.9399678475       15.1726576583       14.3599591528
  O        15.0585227822       16.9378843513       13.2930954170
  H        14.2591787310       17.4752138521       13.1374802077
  O        14.9434752306       13.1944023583       13.4226084519
  H        15.2806585782       12.4123516844       13.9001815717
  O        17.0535688590       15.1761108576       13.8850661264
  H        17.5010873488       14.6263701673       13.2152843802
  O        13.1662366734       15.0605426479       14.2319988563
  H        12.4600917199       15.1659369073       14.8932050744
  O        15.5248250423       15.1742076739       16.0845745892
  H        15.0280070193       15.2866988092       16.9139116504
  H        17.5340547755       15.0640963115       14.7294395330
  H        13.9810750214       13.0516004926       13.3034031188
  H        15.8426202776       17.5178914796       13.2821043468
      14
 i =       43, E =     -1643.7395423626
 Fe        14.9430274286       15.1729834160       14.3595912519
  O        15.0583536098       16.9378097939       13.2941428918
  H        14.2594347879       17.4752485752       13.1375641238
  O        14.9435729762       13.1945263484       13.4223225681
  H        15.2805837269       12.4123288208       13.9001020796
  O        17.0532787629       15.1760504946       13.8851254950
  H        17.5010678277       14.6264070176       13.2153956940
  O        13.1654670066       15.0606122367       14.2321057107
  H        12.4601795339       15.1658571016       14.8929398637
  O        15.5254907615       15.1748201736       16.0848734099
  H        15.0279753085       15.2866256793       16.9138738074
  H        17.5340348708       15.0640367288       14.7292519114
  H        13.9812038521       13.0515016461       13.3034512755
  H        15.8424910034       17.5178279258       13.2820559722
      14
 i =       44, E =     -1643.7395607144
 Fe        14.9432085157       15.1730241447       14.3594684743
  O        15.0580357258       16.9377511277       13.2977996763
  H        14.2602739386       17.4753757695       13.1379220508
  O        14.9441325852       13.1948010030       13.4213810338
  H        15.2802581588       12.4123579573       13.8996985972
  O        17.0525687002       15.1757485778       13.8851928446
  H        17.5009457241       14.6265843384       13.2158036417
  O        13.1651359358       15.0608080096       14.2318234516
  H        12.4599507585       15.1656595090       14.8925789336
  O        15.5279618251       15.1769563841       16.0860571068
  H        15.0278386509       15.2863388342       16.9137105643
  H        17.5340099831       15.0638288782       14.7286256502
  H        13.9816080407       13.0512174612       13.3036549896
  H        15.8419419521       17.5175326965       13.2818453479
      14
 i =       45, E =     -1643.7395617060
 Fe        14.9433362941       15.1729818523       14.3597945430
  O        15.0579869780       16.9378604403       13.2985170876
  H        14.2604590365       17.4754629664       13.1381132717
  O        14.9440697253       13.1946124277       13.4213066143
  H        15.2801474875       12.4125097210       13.8994151503
  O        17.0523544016       15.1757596063       13.8851490467
  H        17.5009151278       14.6265779480       13.2158283765
  O        13.1654743206       15.0607617855       14.2315278689
  H        12.4595647878       15.1655976391       14.8926116032
  O        15.5283666560       15.1773278426       16.0861934870
  H        15.0277396932       15.2862024732       16.9136869634
  H        17.5340479028       15.0637485221       14.7285297875
  H        13.9819250521       13.0511743222       13.3037098110
  H        15.8418855311       17.5173833204       13.2817710132
      14
 i =       46, E =     -1643.7395621445
 Fe        14.9432916988       15.1729956845       14.3597053087
  O        15.0579859951       16.9378958403       13.2985300333
  H        14.2604661041       17.4755396417       13.1382246238
  O        14.9440719109       13.1946094976       13.4213246684
  H        15.2801553059       12.4124986402       13.8993064242
  O        17.0523604470       15.1757750312       13.8851315112
  H        17.5008856374       14.6265634633       13.2158006606
  O        13.1654719459       15.0607399470       14.2316078656
  H        12.4595196265       15.1655346451       14.8924509600
  O        15.5283066196       15.1772991289       16.0862012457
  H        15.0276925833       15.2861222304       16.9136690583
  H        17.5340573081       15.0637210143       14.7285028944
  H        13.9819737059       13.0511505351       13.3037062290
  H        15.8419604936       17.5173268844       13.2817365781
      14
 i =       47, E =     -1643.7395625063
 Fe        14.9432721912       15.1730040787       14.3596221466
  O        15.0579884687       16.9378885535       13.2985020384
  H        14.2604589564       17.4755602680       13.1382466928
  O        14.9440903173       13.1946452141       13.4213197311
  H        15.2801713130       12.4124681686       13.8993014859
  O        17.0523771880       15.1757734210       13.8851331049
  H        17.5008767654       14.6265618165       13.2157939598
  O        13.1654536601       15.0607387517       14.2316363080
  H        12.4595211580       15.1655204450       14.8924073783
  O        15.5282803665       15.1772779044       16.0862041107
  H        15.0276838106       15.2861060207       16.9136657454
  H        17.5340557524       15.0637178705       14.7284955619
  H        13.9819519291       13.0511425421       13.3037001477
  H        15.8419843200       17.5173205856       13.2817298915
      14
 i =       48, E =     -1643.7395622965
 Fe        14.9432843426       15.1730011850       14.3596503629
  O        15.0579897751       16.9378994135       13.2985025889
  H        14.2604635380       17.4755959634       13.1382964163
  O        14.9440945821       13.1946528422       13.4213205597
  H        15.2801807243       12.4124540020       13.8992601092
  O        17.0523798670       15.1757774732       13.8851256125
  H        17.5008630107       14.6265562316       13.2157823740
  O        13.1654706544       15.0607290146       14.2316414917
  H        12.4594784114       15.1654959414       14.8923568084
  O        15.5282623130       15.1772664721       16.0861938458
  H        15.0276584376       15.2860714000       16.9136633547
  H        17.5340596414       15.0637059276       14.7284847872
  H        13.9819631695       13.0511313956       13.3036966058
  H        15.8420148572       17.5172955046       13.2817146695
      14
 i =       49, E =     -1643.7395620693
 Fe        14.9432781798       15.1730030579       14.3596370412
  O        15.0579866846       16.9378731602       13.2984993798
  H        14.2604475375       17.4754933186       13.1381528667
  O        14.9440826199       13.1946338499       13.4213186237
  H        15.2801518607       12.4124954472       13.8993781949
  O        17.0523730205       15.1757673391       13.8851456001
  H        17.5009027781       14.6265719611       13.2158152574
  O        13.1654285457       15.0607535010       14.2316259400
  H        12.4595972410       15.1655666871       14.8925056606
  O        15.5283080022       15.1772949336       16.0862074935
  H        15.0277284149       15.2861716034       16.9136741366
  H        17.5340476018       15.0637402350       14.7285157659
  H        13.9819328365       13.0511618630       13.3037075265
  H        15.8419289390       17.5173671034       13.2817589419
      14
 i =       50, E =     -1643.7395639136
 Fe        14.9432567939       15.1730183924       14.3595525818
  O        15.0579970398       16.9380933838       13.2985147182
  H        14.2604772548       17.4760928284       13.1389852818
  O        14.9441674973       13.1947916038       13.4213735995
  H        15.2802750382       12.4122784024       13.8986469947
  O        17.0524510933       15.1758594946       13.8850144841
  H        17.5006705678       14.6264721961       13.2156122145
  O        13.1656060947       15.0605693736       14.2319820493
  H        12.4590560669       15.1651221085       14.8914794513
  O        15.5278776462       15.1770452702       16.0860979154
  H        15.0273248666       15.2855789716       16.9136079441
  H        17.5341060004       15.0635390018       14.7283148488
  H        13.9821677449       13.0509607887       13.3036609562
  H        15.8425027679       17.5169532295       13.2815018983
      14
 i =       51, E =     -1643.7395654089
 Fe        14.9432977630       15.1730086001       14.3596199032
  O        15.0580244177       16.9382293613       13.2985410549
  H        14.2606061522       17.4767572305       13.1399123702
  O        14.9442462263       13.1948957218       13.4213624862
  H        15.2804794494       12.4119992137       13.8978995227
  O        17.0524724081       15.1759127795       13.8848881757
  H        17.5004149526       14.6263715353       13.2154019671
  O        13.1659946111       15.0604181896       14.2318815859
  H        12.4581542879       15.1646865343       14.8906470935
  O        15.5276619677       15.1769020019       16.0860452623
  H        15.0268735515       15.2849329160       16.9135370261
  H        17.5341908286       15.0633163092       14.7281239663
  H        13.9823380922       13.0507714263       13.3035833354
  H        15.8430241729       17.5164884262       13.2812145374
      14
 i =       52, E =     -1643.7395616733
 Fe        14.9430892793       15.1730516477       14.3592570463
  O        15.0579959990       16.9381657461       13.2985071591
  H        14.2602043200       17.4757431116       13.1384408104
  O        14.9441785415       13.1949208013       13.4214556421
  H        15.2800542410       12.4124642314       13.8989772478
  O        17.0524931196       15.1759292329       13.8850057374
  H        17.5008210287       14.6265018971       13.2156967871
  O        13.1661220187       15.0604271492       14.2319513943
  H        12.4592883090       15.1653815391       14.8921614989
  O        15.5276171418       15.1769026640       16.0859817513
  H        15.0275608549       15.2859253715       16.9136782661
  H        17.5340456700       15.0636545137       14.7283964190
  H        13.9821971791       13.0509954185       13.3037473928
  H        15.8423989049       17.5172206447       13.2816650744
      14
 i =       53, E =     -1643.7395627784
 Fe        14.9434263659       15.1730143931       14.3596483404
  O        15.0579889041       16.9381435267       13.2985091408
  H        14.2602817431       17.4758033027       13.1385376970
  O        14.9441786498       13.1948733775       13.4214060085
  H        15.2801105763       12.4124210577       13.8989257779
  O        17.0524649329       15.1759039358       13.8850033128
  H        17.5007949371       14.6264966732       13.2156830591
  O        13.1659064810       15.0604776567       14.2319073764
  H        12.4592476133       15.1653309880       14.8920329681
  O        15.5277460043       15.1769613820       16.0859777440
  H        15.0275019412       15.2858630046       16.9136812792
  H        17.5340565530       15.0636313435       14.7283822549
  H        13.9821773211       13.0509924451       13.3037251993
  H        15.8423957273       17.5171686203       13.2816327070
      14
 i =       54, E =     -1643.7395635149
 Fe        14.9435178853       15.1729918003       14.3598192356
  O        15.0580030969       16.9380182389       13.2985418533
  H        14.2605270477       17.4760386592       13.1388898774
  O        14.9442000865       13.1947292573       13.4212566789
  H        15.2803064477       12.4122609584       13.8987310098
  O        17.0523780132       15.1758218990       13.8850061207
  H        17.5007002934       14.6264724915       13.2156235581
  O        13.1657160779       15.0606028518       14.2314576061
  H        12.4588181159       15.1651912993       14.8918361323
  O        15.5281728649       15.1771693028       16.0861910424
  H        15.0273417607       15.2856253570       16.9136268528
  H        17.5341069151       15.0635476600       14.7283282604
  H        13.9820974416       13.0509845744       13.3036482409
  H        15.8423889966       17.5169833265       13.2815120840
      14
 i =       55, E =     -1643.7395641947
 Fe        14.9431358106       15.1730054096       14.3595599687
  O        15.0580110133       16.9379629640       13.2985541300
  H        14.2606738149       17.4762223711       13.1391719086
  O        14.9441813473       13.1946469933       13.4212203814
  H        15.2804268885       12.4121612025       13.8985492107
  O        17.0523709707       15.1757758089       13.8850189602
  H        17.5006175047       14.6264562563       13.2155754647
  O        13.1654616889       15.0606915093       14.2315131811
  H        12.4587307315       15.1650454891       14.8914465390
  O        15.5283204678       15.1772546745       16.0863386074
  H        15.0272305225       15.2854358847       16.9135727009
  H        17.5341369281       15.0634869064       14.7282722235
  H        13.9820952935       13.0509744579       13.3036020209
  H        15.8424372199       17.5168433174       13.2814205841
      14
 i =       56, E =     -1643.7395650104
 Fe        14.9432445491       15.1730032582       14.3596289441
  O        15.0580109304       16.9379709294       13.2985464422
  H        14.2607110977       17.4763169138       13.1393130751
  O        14.9441636324       13.1946513982       13.4212447509
  H        15.2804665048       12.4121215155       13.8984480998
  O        17.0523769369       15.1757758576       13.8850140198
  H        17.5005753272       14.6264473937       13.2155506244
  O        13.1654361753       15.0606916469       14.2315983153
  H        12.4586654059       15.1649761142       14.8912656485
  O        15.5282667122       15.1772378604       16.0862922283
  H        15.0271628906       15.2853451577       16.9135662257
  H        17.5341511347       15.0634568674       14.7282526385
  H        13.9821150432       13.0509553064       13.3035856885
  H        15.8424991859       17.5167745256       13.2813801439
      14
 i =       57, E =     -1643.7395594539
 Fe        14.9439558758       15.1730170976       14.3599811159
  O        15.0579434450       16.9379607368       13.2985793579
  H        14.2603077795       17.4752851506       13.1377955450
  O        14.9441770247       13.1946054626       13.4210774243
  H        15.2800260684       12.4125782303       13.8995077070
  O        17.0523433666       15.1757805092       13.8850649888
  H        17.5010125400       14.6265525529       13.2158287139
  O        13.1649077685       15.0607329654       14.2314896060
  H        12.4599129269       15.1656301500       14.8926647276
  O        15.5286171337       15.1773133469       16.0863380061
  H        15.0278013548       15.2863349427       16.9137687610
  H        17.5339705845       15.0637828360       14.7284496944
  H        13.9820436087       13.0511585839       13.3037685628
  H        15.8418919875       17.5175143208       13.2818213287
      14
 i =       58, E =     -1643.7395612498
 Fe        14.9432138242       15.1729973046       14.3596935454
  O        15.0579662051       16.9379598881       13.2985731985
  H        14.2603167595       17.4753450723       13.1378786723
  O        14.9441740110       13.1946160080       13.4211440362
  H        15.2800461847       12.4125601994       13.8994324523
  O        17.0523728199       15.1757781433       13.8850616854
  H        17.5009816326       14.6265471744       13.2158085878
  O        13.1651770853       15.0607179091       14.2315147319
  H        12.4598098956       15.1655954089       14.8926187312
  O        15.5285121157       15.1772887554       16.0863517853
  H        15.0277763564       15.2862739772       16.9137451943
  H        17.5339822847       15.0637654032       14.7284368694
  H        13.9820506350       13.0511509349       13.3037573680
  H        15.8419277717       17.5174703330       13.2817926137
      14
 i =       59, E =     -1643.7395617534
 Fe        14.9431963434       15.1729998285       14.3596442518
  O        15.0579734844       16.9379667935       13.2985531260
  H        14.2603532346       17.4754663364       13.1380507804
  O        14.9441451865       13.1946493411       13.4212458920
  H        15.2800974938       12.4125090963       13.8992898762
  O        17.0523900355       15.1757826560       13.8850525003
  H        17.5009226507       14.6265328810       13.2157689638
  O        13.1653566263       15.0606976946       14.2316461011
  H        12.4596757015       15.1655073621       14.8924292780
  O        15.5283156287       15.1772386239       16.0862563827
  H        15.0276964311       15.2861523957       16.9137311349
  H        17.5340024780       15.0637260644       14.7284144913
  H        13.9820719599       13.0511235860       13.3037304941
  H        15.8420127206       17.5173799295       13.2817372101
      14
 i =       60, E =     -1643.7395621333
 Fe        14.9433305490       15.1730047579       14.3596791706
  O        15.0579751854       16.9379646224       13.2985546211
  H        14.2603585618       17.4754834623       13.1380720165
  O        14.9441681549       13.1946641141       13.4212305094
  H        15.2801073165       12.4124924163       13.8992803917
  O        17.0523750089       15.1757888445       13.8850483866
  H        17.5009197218       14.6265279991       13.2157621740
  O        13.1654165824       15.0606850208       14.2315470561
  H        12.4595841320       15.1655076799       14.8924744678
  O        15.5283293266       15.1772438735       16.0862682817
  H        15.0276898731       15.2861365688       16.9137211938
  H        17.5340090929       15.0637193240       14.7284171724
  H        13.9820527123       13.0511146960       13.3037257261
  H        15.8420208891       17.5173684156       13.2817307869
      14
 i =       61, E =     -1643.7395626732
 Fe        14.9432919366       15.1730032669       14.3596557937
  O        15.0579843916       16.9379714971       13.2985413421
  H        14.2604046649       17.4756173999       13.1382632451
  O        14.9441692233       13.1946955581       13.4212780028
  H        15.2801681839       12.4124237789       13.8991355212
  O        17.0523802863       15.1757953755       13.8850374488
  H        17.5008596727       14.6265108766       13.2157195461
  O        13.1655508889       15.0606662480       14.2315794552
  H        12.4594039885       15.1654173058       14.8922987176
  O        15.5282221340       15.1772159986       16.0862314887
  H        15.0276059584       15.2860022508       16.9136944077
  H        17.5340350761       15.0636742416       14.7283942295
  H        13.9820560952       13.0510819830       13.3036975014
  H        15.8421079452       17.5172697064       13.2816698271
      14
 i =       62, E =     -1643.7395630441
 Fe        14.9433143188       15.1730037853       14.3596628129
  O        15.0579888331       16.9379802772       13.2985299559
  H        14.2604614135       17.4757636176       13.1384759542
  O        14.9441544224       13.1947037808       13.4213089135
  H        15.2802335705       12.4123556636       13.8989740900
  O        17.0523905057       15.1757967337       13.8850299203
  H        17.5007922779       14.6264951170       13.2156772777
  O        13.1655481669       15.0606627418       14.2316716322
  H        12.4592769641       15.1653080364       14.8920383606
  O        15.5281556677       15.1771942421       16.0861962055
  H        15.0275057655       15.2858563434       16.9136760144
  H        17.5340600680       15.0636252875       14.7283624138
  H        13.9820786072       13.0510505243       13.3036695279
  H        15.8422029699       17.5171623226       13.2816028853
      14
 i =       63, E =     -1643.7395631648
 Fe        14.9433026824       15.1730030523       14.3596600237
  O        15.0579905768       16.9379803605       13.2985304487
  H        14.2604730807       17.4757931670       13.1385184524
  O        14.9441558302       13.1947013986       13.4213058948
  H        15.2802460576       12.4123429517       13.8989431390
  O        17.0523902428       15.1757963784       13.8850281693
  H        17.5007796045       14.6264923069       13.2156697983
  O        13.1655559757       15.0606611090       14.2316586538
  H        12.4592347634       15.1652897476       14.8920041668
  O        15.5281585911       15.1771947948       16.0862013010
  H        15.0274872926       15.2858275718       16.9136696527
  H        17.5340656076       15.0636155075       14.7283563310
  H        13.9820811216       13.0510444842       13.3036646093
  H        15.8422203840       17.5171414377       13.2815897847
      14
 i =       64, E =     -1643.7395636854
 Fe        14.9432693969       15.1730011716       14.3596486419
  O        15.0579970062       16.9379838698       13.2985277866
  H        14.2605221222       17.4759185559       13.1387001397
  O        14.9441581161       13.1947020088       13.4213089166
  H        15.2803005121       12.4122856125       13.8988102775
  O        17.0523919501       15.1757971322       13.8850211449
  H        17.5007249835       14.6264790951       13.2156355949
  O        13.1655857975       15.0606556635       14.2316540755
  H        12.4590797712       15.1652066609       14.8918315086
  O        15.5281429583       15.1771893602       16.0862043917
  H        15.0274067718       15.2857044530       16.9136461425
  H        17.5340888671       15.0635737917       14.7283310670
  H        13.9820916419       13.0510177249       13.3036423356
  H        15.8422968036       17.5170511258       13.2815337253
      14
 i =       65, E =     -1643.7395638022
 Fe        14.9433173033       15.1730025976       14.3596628715
  O        15.0580019660       16.9379877145       13.2985265011
  H        14.2605725516       17.4760438114       13.1388825739
  O        14.9441601431       13.1947029286       13.4213074649
  H        15.2803546892       12.4122279758       13.8986797483
  O        17.0523908316       15.1757976329       13.8850146888
  H        17.5006712479       14.6264662158       13.2156024950
  O        13.1655907845       15.0606520042       14.2316526851
  H        12.4589308622       15.1651237439       14.8916536980
  O        15.5281336330       15.1771854624       16.0862031083
  H        15.0273248429       15.2855826148       16.9136247371
  H        17.5341115723       15.0635323224       14.7283057430
  H        13.9821021272       13.0509905511       13.3036205145
  H        15.8423725065       17.5169609010       13.2814784689
      14
 i =       66, E =     -1643.7395638149
 Fe        14.9433906815       15.1730061665       14.3596849532
  O        15.0579949653       16.9379849144       13.2985262460
  H        14.2605298123       17.4759360812       13.1387250139
  O        14.9441554725       13.1947032913       13.4213084670
  H        15.2803093106       12.4122763256       13.8987919006
  O        17.0523896842       15.1757980457       13.8850202267
  H        17.5007172179       14.6264768563       13.2156305842
  O        13.1655587725       15.0606557404       14.2316651549
  H        12.4590664218       15.1651927739       14.8917970553
  O        15.5281370239       15.1771878847       16.0861943718
  H        15.0273940677       15.2856868307       16.9136441086
  H        17.5340915383       15.0635675870       14.7283274049
  H        13.9820942203       13.0510130327       13.3036385647
  H        15.8423088120       17.5170382773       13.2815259859
      14
 i =       67, E =     -1643.7395644115
 Fe        14.9433894869       15.1730053241       14.3596843481
  O        15.0580019836       16.9379900557       13.2985250288
  H        14.2605918996       17.4760900303       13.1389495933
  O        14.9441562765       13.1947017114       13.4213063933
  H        15.2803758033       12.4122062338       13.8986304317
  O        17.0523917843       15.1757969069       13.8850124035
  H        17.5006501252       14.6264618894       13.2155905985
  O        13.1655624205       15.0606526259       14.2316696702
  H        12.4588893488       15.1650897959       14.8915730159
  O        15.5281268549       15.1771830888       16.0861963556
  H        15.0272937513       15.2855365103       16.9136170419
  H        17.5341189967       15.0635167547       14.7282949517
  H        13.9821093579       13.0509805615       13.3036120218
  H        15.8424017801       17.5169273154       13.2814579236
      14
 i =       68, E =     -1643.7395650800
 Fe        14.9432208398       15.1729977491       14.3596399940
  O        15.0580140782       16.9379936853       13.2985259623
  H        14.2606659971       17.4762783096       13.1392246932
  O        14.9441667901       13.1947001700       13.4213041713
  H        15.2804547542       12.4121227194       13.8984350708
  O        17.0523931763       15.1757969153       13.8850029410
  H        17.5005705440       14.6264428004       13.2155410913
  O        13.1656354758       15.0606451734       14.2316336358
  H        12.4586410571       15.1649716014       14.8913345577
  O        15.5281193431       15.1771804348       16.0862174637
  H        15.0271763550       15.2853540638       16.9135778834
  H        17.5341542942       15.0634552701       14.7282577593
  H        13.9821212659       13.0509416338       13.3035805707
  H        15.8425131677       17.5167929782       13.2813756314
      14
 i =       69, E =     -1643.7395651992
 Fe        14.9432599085       15.1729990121       14.3596477087
  O        15.0580193632       16.9379957310       13.2985279019
  H        14.2607193410       17.4764103786       13.1394191320
  O        14.9441719320       13.1946995940       13.4212987387
  H        15.2805092243       12.4120650092       13.8983023610
  O        17.0523880506       15.1757979888       13.8849967401
  H        17.5005170400       14.6264292589       13.2155074228
  O        13.1656474525       15.0606420427       14.2316161050
  H        12.4584773040       15.1648897937       14.8911593514
  O        15.5281177260       15.1771799875       16.0862238057
  H        15.0270932150       15.2852288083       16.9135526600
  H        17.5341783601       15.0634128138       14.7282332703
  H        13.9821300690       13.0509139951       13.3035593281
  H        15.8425910007       17.5166995498       13.2813200353
      14
 i =       70, E =     -1643.7395636408
 Fe        14.9435251833       15.1730121639       14.3597069279
  O        15.0579966352       16.9379880398       13.2985216422
  H        14.2605650727       17.4760237090       13.1388464582
  O        14.9441540751       13.1947049145       13.4213117498
  H        15.2803518565       12.4122314389       13.8986912293
  O        17.0523877702       15.1758001358       13.8850142596
  H        17.5006755262       14.6264661040       13.2156039391
  O        13.1655467805       15.0606505634       14.2316750681
  H        12.4589611308       15.1651259707       14.8916625949
  O        15.5281183232       15.1771804058       16.0861809160
  H        15.0273322846       15.2855952149       16.9136320068
  H        17.5341088540       15.0635353842       14.7283074687
  H        13.9821040964       13.0509911023       13.3036194226
  H        15.8423656420       17.5169733086       13.2814829626
      14
 i =       71, E =     -1643.7395641201
 Fe        14.9433645683       15.1730042982       14.3596689847
  O        15.0580038949       16.9379894658       13.2985233089
  H        14.2605926459       17.4760949177       13.1389504284
  O        14.9441602447       13.1947035490       13.4213093771
  H        15.2803814421       12.4121998522       13.8986171109
  O        17.0523903241       15.1757990934       13.8850103563
  H        17.5006451597       14.6264592321       13.2155853313
  O        13.1655889549       15.0606482979       14.2316567110
  H        12.4588658040       15.1650817616       14.8915752521
  O        15.5281188808       15.1771806882       16.0861981700
  H        15.0272896532       15.2855258599       16.9136145875
  H        17.5341226218       15.0635122032       14.7282932583
  H        13.9821079002       13.0509769409       13.3036078721
  H        15.8424065120       17.5169223574       13.2814515500
      14
 i =       72, E =     -1643.7395635166
 Fe        14.9432385408       15.1729992671       14.3596388321
  O        15.0579999973       16.9379862361       13.2985215443
  H        14.2605310587       17.4759462750       13.1387331148
  O        14.9441580969       13.1947047996       13.4213171193
  H        15.2803181632       12.4122667884       13.8987696095
  O        17.0523964931       15.1757986439       13.8850172790
  H        17.5007073143       14.6264744680       13.2156236509
  O        13.1656073078       15.0606503082       14.2316614488
  H        12.4590386878       15.1651788864       14.8917880826
  O        15.5281214983       15.1771821474       16.0861991785
  H        15.0273863190       15.2856690745       16.9136401307
  H        17.5340959284       15.0635610806       14.7283227967
  H        13.9820949110       13.0510092384       13.3036330009
  H        15.8423174466       17.5170284529       13.2815155986
      14
 i =       73, E =     -1643.7395643808
 Fe        14.9436505335       15.1730189963       14.3597551029
  O        15.0580013464       16.9379941206       13.2985241323
  H        14.2606700026       17.4762711014       13.1392089566
  O        14.9441572397       13.1947017962       13.4212973351
  H        15.2804594473       12.4121171514       13.8984325312
  O        17.0523816673       15.1757994640       13.8850031075
  H        17.5005693535       14.6264407102       13.2155390125
  O        13.1655245875       15.0606481000       14.2316688962
  H        12.4586730870       15.1649602075       14.8913026500
  O        15.5281182870       15.1771780198       16.0861842549
  H        15.0271691671       15.2853530496       16.9135886780
  H        17.5341539270       15.0634526574       14.7282559500
  H        13.9821276602       13.0509374065       13.3035768795
  H        15.8425159523       17.5167957538       13.2813734271
      14
 i =       74, E =     -1643.7395651358
 Fe        14.9433505700       15.1730040899       14.3596773020
  O        15.0580121680       16.9379957525       13.2985259774
  H        14.2606909524       17.4763299674       13.1392957064
  O        14.9441637366       13.1946981458       13.4212984685
  H        15.2804821277       12.4120936977       13.8983712400
  O        17.0523914329       15.1757955740       13.8850004385
  H        17.5005433275       14.6264369154       13.2155254372
  O        13.1655948520       15.0606458359       14.2316460665
  H        12.4585886015       15.1649264638       14.8912398656
  O        15.5281196766       15.1771787329       16.0862100167
  H        15.0271365552       15.2852965976       16.9135720775
  H        17.5341644221       15.0634346552       14.7282426473
  H        13.9821307861       13.0509275885       13.3035684039
  H        15.8425474886       17.5167534742       13.2813478141
      14
 i =       75, E =     -1643.7395653597
 Fe        14.9432326034       15.1729964543       14.3596403592
  O        15.0580216788       16.9379975538       13.2985279789
  H        14.2607333920       17.4764404438       13.1394580187
  O        14.9441706242       13.1946970934       13.4212966257
  H        15.2805266457       12.4120466829       13.8982601472
  O        17.0523913048       15.1757952510       13.8849941006
  H        17.5004981521       14.6264264997       13.2154978948
  O        13.1656396847       15.0606425174       14.2316227853
  H        12.4584443845       15.1648603534       14.8911036400
  O        15.5281164727       15.1771789690       16.0862274154
  H        15.0270705777       15.2851919482       16.9135471054
  H        17.5341852800       15.0633996517       14.7282227871
  H        13.9821368315       13.0509057186       13.3035512269
  H        15.8426105298       17.5166751801       13.2813013876
      14
 i =       76, E =     -1643.7395657211
 Fe        14.9432567711       15.1729957500       14.3596440606
  O        15.0580318061       16.9380010935       13.2985303148
  H        14.2608137117       17.4766427757       13.1397568142
  O        14.9441788199       13.1946978514       13.4212902664
  H        15.2806091586       12.4119590003       13.8980595818
  O        17.0523833303       15.1757978845       13.8849838015
  H        17.5004175231       14.6264058058       13.2154465257
  O        13.1656618332       15.0606386443       14.2316019139
  H        12.4581979077       15.1647368459       14.8908345938
  O        15.5281099745       15.1771783988       16.0862384748
  H        15.0269453033       15.2850015616       16.9135070892
  H        17.5342227187       15.0633354116       14.7281876614
  H        13.9821490606       13.0508642238       13.3035195109
  H        15.8427286796       17.5165323942       13.2812176480
      14
 i =       77, E =     -1643.7395650630
 Fe        14.9435204982       15.1730112926       14.3597248903
  O        15.0580164507       16.9379988552       13.2985272756
  H        14.2607576476       17.4764931981       13.1395359766
  O        14.9441668834       13.1946991758       13.4212923821
  H        15.2805500914       12.4120216527       13.8982079879
  O        17.0523811494       15.1757983454       13.8849926271
  H        17.5004777729       14.6264197646       13.2154836350
  O        13.1655770857       15.0606435212       14.2316401232
  H        12.4583972324       15.1648235623       14.8910116085
  O        15.5281125425       15.1771773662       16.0862053279
  H        15.0270321187       15.2851420676       16.9135437275
  H        17.5341942256       15.0633820020       14.7282134341
  H        13.9821426553       13.0508925867       13.3035417480
  H        15.8426444801       17.5166379091       13.2812796979
      14
 i =       78, E =     -1643.7395658444
 Fe        14.9436197479       15.1730170155       14.3597570598
  O        15.0580231395       16.9380049231       13.2985289738
  H        14.2608580197       17.4767370891       13.1398989074
  O        14.9441697954       13.1946981021       13.4212832332
  H        15.2806506091       12.4119153239       13.8979647659
  O        17.0523758407       15.1757988570       13.8849836881
  H        17.5003787000       14.6263959670       13.2154228128
  O        13.1655626646       15.0606422636       14.2316400157
  H        12.4581198864       15.1646701938       14.8906637682
  O        15.5281073480       15.1771754728       16.0862059221
  H        15.0268759007       15.2849117416       16.9135014903
  H        17.5342363816       15.0633047698       14.7281663973
  H        13.9821627355       13.0508426062       13.3035034499
  H        15.8427895034       17.5164653753       13.2811784133
      14
 i =       79, E =     -1643.7395665366
 Fe        14.9429202610       15.1729783645       14.3595572320
  O        15.0580529547       16.9380102525       13.2985344514
  H        14.2609521355       17.4769886120       13.1402734683
  O        14.9441888336       13.1946908971       13.4212814760
  H        15.2807482025       12.4118127877       13.8977141343
  O        17.0523948229       15.1757907438       13.8849697651
  H        17.5002740828       14.6263767362       13.2153644506
  O        13.1657484734       15.0606343151       14.2315685282
  H        12.4577793697       15.1645265791       14.8903730839
  O        15.5281066717       15.1771778098       16.0862786501
  H        15.0267326992       15.2846750363       16.9134363705
  H        17.5342817394       15.0632281154       14.7281181653
  H        13.9821764355       13.0507978598       13.3034675450
  H        15.8429293843       17.5162876287       13.2810743572
      14
 i =       80, E =     -1643.7395674221
 Fe        14.9432566433       15.1729948635       14.3596516095
  O        15.0580465000       16.9380118431       13.2985336051
  H        14.2609741118       17.4770355660       13.1403449168
  O        14.9441824290       13.1946914626       13.4212774790
  H        15.2807676786       12.4117927678       13.8976707756
  O        17.0523850222       15.1757932588       13.8849689746
  H        17.5002571669       14.6263713240       13.2153531972
  O        13.1656733137       15.0606355974       14.2315898442
  H        12.4577438725       15.1644955417       14.8902869970
  O        15.5281037627       15.1771757539       16.0862512492
  H        15.0266974543       15.2846332423       16.9134360178
  H        17.5342882407       15.0632135106       14.7281102851
  H        13.9821832436       13.0507868544       13.3034601355
  H        15.8429595010       17.5162550192       13.2810569475
      14
 i =       81, E =     -1643.7395673400
 Fe        14.9432940937       15.1729978947       14.3596638014
  O        15.0580513995       16.9380154273       13.2985350029
  H        14.2610337238       17.4771838618       13.1405703214
  O        14.9441845703       13.1946900479       13.4212723834
  H        15.2808247681       12.4117329613       13.8975312892
  O        17.0523829297       15.1757932801       13.8849644763
  H        17.5002006851       14.6263579973       13.2153189772
  O        13.1656706323       15.0606342662       14.2315856961
  H        12.4575761569       15.1644098797       14.8900831052
  O        15.5281009314       15.1771746784       16.0862532042
  H        15.0266060019       15.2844989812       16.9134090202
  H        17.5343117227       15.0631696330       14.7280835734
  H        13.9821939578       13.0507588858       13.3034396239
  H        15.8430455365       17.5161520600       13.2810000450
      14
 i =       82, E =     -1643.7395680022
 Fe        14.9432348572       15.1729917968       14.3596484726
  O        15.0580610916       16.9380204479       13.2985376745
  H        14.2611142945       17.4773882161       13.1408820608
  O        14.9441896555       13.1946888278       13.4212654361
  H        15.2809022600       12.4116512941       13.8973419999
  O        17.0523830275       15.1757914868       13.8849555776
  H        17.5001230123       14.6263413385       13.2152739555
  O        13.1656968159       15.0606309379       14.2315672340
  H        12.4573365206       15.1642959338       14.8898149025
  O        15.5280955458       15.1771737427       16.0862669441
  H        15.0264841868       15.2843153667       16.9133677036
  H        17.5343443825       15.0631101425       14.7280477915
  H        13.9822070489       13.0507216680       13.3034123937
  H        15.8431627453       17.5160108313       13.2809228409
      14
 i =       83, E =     -1643.7395685523
 Fe        14.9438222408       15.1730381299       14.3598248185
  O        15.0580717999       16.9380383001       13.2985441760
  H        14.2613927332       17.4780719870       13.1419327916
  O        14.9441893474       13.1946812171       13.4212395848
  H        15.2811605129       12.4113824980       13.8967165446
  O        17.0523608829       15.1757941667       13.8849374655
  H        17.4998716077       14.6262814109       13.2151216665
  O        13.1655912300       15.0606251483       14.2315689616
  H        12.4565882012       15.1639113512       14.8888630359
  O        15.5280752975       15.1771647698       16.0862398576
  H        15.0260613982       15.2837085768       16.9132551145
  H        17.5344476358       15.0629128402       14.7279261711
  H        13.9822593612       13.0505946246       13.3033215383
  H        15.8435617598       17.5155401175       13.2806703971
      14
 i =       84, E =     -1643.7395694801
 Fe        14.9432944835       15.1729990894       14.3596761223
  O        15.0580884071       16.9380392773       13.2985465517
  H        14.2614051436       17.4781186698       13.1420049674
  O        14.9442011330       13.1946802206       13.4212423906
  H        15.2811744909       12.4113671464       13.8966757600
  O        17.0523745539       15.1757899479       13.8849318001
  H        17.4998535884       14.6262803163       13.2151136624
  O        13.1657180144       15.0606221106       14.2315292982
  H        12.4565067192       15.1638943865       14.8888385437
  O        15.5280784620       15.1771678586       16.0862877005
  H        15.0260446282       15.2836680693       16.9132335776
  H        17.5344569052       15.0629013325       14.7279197166
  H        13.9822568471       13.0505904603       13.3033178409
  H        15.8435821080       17.5155081844       13.2806536330
      14
 i =       85, E =     -1643.7395701072
 Fe        14.9432387541       15.1729880078       14.3596511936
  O        15.0580932865       16.9380405890       13.2985473292
  H        14.2614266529       17.4781770157       13.1420960186
  O        14.9442025298       13.1946803860       13.4212415728
  H        15.2811942725       12.4113463576       13.8966267497
  O        17.0523754999       15.1757887036       13.8849260313
  H        17.4998328418       14.6262770881       13.2151033238
  O        13.1657426456       15.0606208938       14.2315176979
  H        12.4564338620       15.1638668528       14.8887713308
  O        15.5280780393       15.1771686652       16.0862971418
  H        15.0260127148       15.2836187414       16.9132205448
  H        17.5344663963       15.0628859329       14.7279125171
  H        13.9822601327       13.0505814722       13.3033116810
  H        15.8436134531       17.5154687370       13.2806342608
      14
 i =       86, E =     -1643.7395680552
 Fe        14.9429006791       15.1729548754       14.3595246442
  O        15.0580833887       16.9380286083       13.2985448796
  H        14.2612218194       17.4776603215       13.1412806857
  O        14.9442025256       13.1946818347       13.4212550450
  H        15.2810157078       12.4115315488       13.8970599703
  O        17.0523866482       15.1757859504       13.8849400547
  H        17.5000059999       14.6263175698       13.2152069047
  O        13.1657792757       15.0606213345       14.2315154362
  H        12.4569927638       15.1641261021       14.8894645651
  O        15.5280854384       15.1771693948       16.0863078378
  H        15.0263181581       15.2840534510       16.9133073115
  H        17.5343956853       15.0630212375       14.7279929491
  H        13.9822264724       13.0506673029       13.3033690914
  H        15.8433215142       17.5158160606       13.2808039004
      14
 i =       87, E =     -1643.7395689620
 Fe        14.9432824114       15.1729911306       14.3596626227
  O        15.0580734928       16.9380295443       13.2985431637
  H        14.2612407903       17.4776966242       13.1413382292
  O        14.9441948958       13.1946823932       13.4212517345
  H        15.2810304190       12.4115167811       13.8970286171
  O        17.0523764399       15.1757893001       13.8849417271
  H        17.4999946830       14.6263126994       13.2151979212
  O        13.1656965742       15.0606234827       14.2315412515
  H        12.4569716423       15.1641023560       14.8893910079
  O        15.5280832449       15.1771674834       16.0862724762
  H        15.0262883044       15.2840225456       16.9133105649
  H        17.5343992085       15.0630106114       14.7279867043
  H        13.9822325651       13.0506583637       13.3033635891
  H        15.8433463984       17.5157915592       13.2807918680
      14
 i =       88, E =     -1643.7395689273
 Fe        14.9432585548       15.1729929210       14.3596577848
  O        15.0580764714       16.9380305755       13.2985434505
  H        14.2612650093       17.4777584749       13.1414342966
  O        14.9441965467       13.1946823283       13.4212512534
  H        15.2810523662       12.4114938406       13.8969740853
  O        17.0523771206       15.1757894606       13.8849403062
  H        17.4999727992       14.6263076124       13.2151846002
  O        13.1657086736       15.0606236141       14.2315383534
  H        12.4569004536       15.1640701988       14.8893110535
  O        15.5280835208       15.1771682768       16.0862777044
  H        15.0262523618       15.2839688519       16.9132981420
  H        17.5344082729       15.0629937507       14.7279764101
  H        13.9822359960       13.0506478429       13.3033562577
  H        15.8433809321       17.5157493657       13.2807701112
      14
 i =       89, E =     -1643.7395690675
 Fe        14.9432728652       15.1729930021       14.3596630167
  O        15.0580780532       16.9380317012       13.2985433078
  H        14.2612872751       17.4778146989       13.1415218404
  O        14.9441969004       13.1946825111       13.4212504029
  H        15.2810724285       12.4114728868       13.8969250487
  O        17.0523767017       15.1757896466       13.8849384974
  H        17.4999529466       14.6263031542       13.2151728509
  O        13.1657105778       15.0606239865       14.2315386634
  H        12.4568382960       15.1640406729       14.8892356411
  O        15.5280836561       15.1771689656       16.0862791793
  H        15.0262189016       15.2839202484       16.9132881275
  H        17.5344165204       15.0629784340       14.7279674333
  H        13.9822396060       13.0506382168       13.3033496542
  H        15.8434126337       17.5157110121       13.2807505661
      14
 i =       90, E =     -1643.7395691851
 Fe        14.9432679196       15.1729926886       14.3596611458
  O        15.0580798939       16.9380325603       13.2985432428
  H        14.2613059617       17.4778627560       13.1415967296
  O        14.9441975246       13.1946825186       13.4212498082
  H        15.2810893994       12.4114551819       13.8968833108
  O        17.0523766999       15.1757897464       13.8849368842
  H        17.4999360840       14.6262993884       13.2151628690
  O        13.1657161310       15.0606240660       14.2315371568
  H        12.4567840090       15.1640159014       14.8891728339
  O        15.5280835693       15.1771695721       16.0862820472
  H        15.0261908540       15.2838788424       16.9132789285
  H        17.5344236200       15.0629654480       14.7279598806
  H        13.9822424991       13.0506301925       13.3033441345
  H        15.8434394840       17.5156783050       13.2807339107
      14
 i =       91, E =     -1643.7395697563
 Fe        14.9432690026       15.1729918259       14.3596633705
  O        15.0580865651       16.9380362011       13.2985436533
  H        14.2613723483       17.4780329678       13.1418624732
  O        14.9441995854       13.1946822510       13.4212468276
  H        15.2811493353       12.4113926956       13.8967361773
  O        17.0523761982       15.1757897725       13.8849308143
  H        17.4998765474       14.6262862989       13.2151280447
  O        13.1657309957       15.0606238381       14.2315313031
  H        12.4565923890       15.1639285715       14.8889499498
  O        15.5280827626       15.1771708215       16.0862898729
  H        15.0260911555       15.2837327626       16.9132472254
  H        17.5344485478       15.0629196090       14.7279332061
  H        13.9822529436       13.0506017679       13.3033246722
  H        15.8435345264       17.5155625054       13.2806753387
      14
 i =       92, E =     -1643.7395703332
 Fe        14.9432555753       15.1729909404       14.3596553318
  O        15.0580963182       16.9380418634       13.2985463449
  H        14.2614676037       17.4782774631       13.1422467598
  O        14.9442036100       13.1946805510       13.4212406172
  H        15.2812341276       12.4113044568       13.8965279721
  O        17.0523749596       15.1757895432       13.8849230092
  H        17.4997928145       14.6262675409       13.2150787271
  O        13.1657493603       15.0606218129       14.2315186863
  H        12.4563181422       15.1638058614       14.8886314238
  O        15.5280795868       15.1771703277       16.0863018479
  H        15.0259491917       15.2835251209       16.9132017305
  H        17.5344835107       15.0628548770       14.7278949275
  H        13.9822674697       13.0505618579       13.3032975656
  H        15.8436712191       17.5153973239       13.2805929291
      14
 i =       93, E =     -1643.7395706504
 Fe        14.9432933546       15.1729895829       14.3596801873
  O        15.0581029176       16.9380470371       13.2985487866
  H        14.2615336862       17.4784473336       13.1425156338
  O        14.9442052604       13.1946790764       13.4212345218
  H        15.2812919999       12.4112443865       13.8963872399
  O        17.0523727370       15.1757889245       13.8849161520
  H        17.4997360690       14.6262550848       13.2150458215
  O        13.1657505137       15.0606198060       14.2315103162
  H        12.4561310536       15.1637228701       14.8884092853
  O        15.5280758813       15.1771685573       16.0863021616
  H        15.0258500940       15.2833833921       16.9131722544
  H        17.5345070352       15.0628109443       14.7278696791
  H        13.9822778889       13.0505347067       13.3032794907
  H        15.8437660684       17.5152832726       13.2805378787
      14
 i =       94, E =     -1643.7395705750
 Fe        14.9432698603       15.1729895336       14.3596693371
  O        15.0581041141       16.9380474995       13.2985491520
  H        14.2615457155       17.4784782934       13.1425649682
  O        14.9442061456       13.1946789975       13.4212343193
  H        15.2813022081       12.4112337602       13.8963617060
  O        17.0523732790       15.1757888031       13.8849157961
  H        17.4997258648       14.6262528454       13.2150399330
  O        13.1657592051       15.0606193437       14.2315061164
  H        12.4560936368       15.1637084999       14.8883719346
  O        15.5280751372       15.1771689788       16.0863070348
  H        15.0258333618       15.2833574013       16.9131651292
  H        17.5345111317       15.0628031453       14.7278644844
  H        13.9822794270       13.0505299240       13.3032762790
  H        15.8437831503       17.5152626361       13.2805279640
      14
 i =       95, E =     -1643.7395709321
 Fe        14.9432592186       15.1729895901       14.3596608388
  O        15.0581059879       16.9380484612       13.2985499490
  H        14.2615658696       17.4785303995       13.1426479691
  O        14.9442071576       13.1946786797       13.4212330820
  H        15.2813195499       12.4112157221       13.8963192463
  O        17.0523730936       15.1757887871       13.8849144125
  H        17.4997088706       14.6262489806       13.2150299101
  O        13.1657637447       15.0606190382       14.2315039332
  H        12.4560360988       15.1636836810       14.8883043922
  O        15.5280745639       15.1771689338       16.0863109111
  H        15.0258038680       15.2833141613       16.9131551976
  H        17.5345182380       15.0627899918       14.7278565707
  H        13.9822822664       13.0505219472       13.3032709502
  H        15.8438122769       17.5152280301       13.2805114913
      14
 i =       96, E =     -1643.7395711088
 Fe        14.9432594139       15.1729896529       14.3596611506
  O        15.0581061916       16.9380484467       13.2985498995
  H        14.2615667549       17.4785331551       13.1426522717
  O        14.9442073023       13.1946786695       13.4212329584
  H        15.2813204815       12.4112147398       13.8963171237
  O        17.0523731012       15.1757888211       13.8849142995
  H        17.4997080138       14.6262487497       13.2150293224
  O        13.1657635622       15.0606190295       14.2315040048
  H        12.4560334031       15.1636823820       14.8883007338
  O        15.5280742920       15.1771689572       16.0863113293
  H        15.0258025580       15.2833119007       16.9131543005
  H        17.5345185866       15.0627893270       14.7278562355
  H        13.9822822655       13.0505215498       13.3032706570
  H        15.8438137932       17.5152262593       13.2805106971
      14
 i =       97, E =     -1643.7395713025
 Fe        14.9432641853       15.1729892227       14.3596657811
  O        15.0581092710       16.9380507460       13.2985507080
  H        14.2615999608       17.4786188801       13.1427889514
  O        14.9442083085       13.1946781397       13.4212309001
  H        15.2813488490       12.4111853904       13.8962477243
  O        17.0523723985       15.1757887164       13.8849117174
  H        17.4996801528       14.6262425914       13.2150132075
  O        13.1657683433       15.0606183528       14.2314998588
  H        12.4559381152       15.1636419039       14.8881902833
  O        15.5280736897       15.1771687501       16.0863131624
  H        15.0257530058       15.2832412517       16.9131396591
  H        17.5345300571       15.0627678082       14.7278433848
  H        13.9822871467       13.0505083436       13.3032619595
  H        15.8438611727       17.5151689597       13.2804838399
      14
 i =       98, E =     -1643.7395715431
 Fe        14.9432530072       15.1729885014       14.3596580088
  O        15.0581144421       16.9380536950       13.2985521793
  H        14.2616476303       17.4787434301       13.1429878278
  O        14.9442103063       13.1946772698       13.4212279182
  H        15.2813896383       12.4111431616       13.8961477831
  O        17.0523716353       15.1757886097       13.8849076575
  H        17.4996401065       14.6262336508       13.2149898716
  O        13.1657774893       15.0606173594       14.2314935924
  H        12.4558006092       15.1635838350       14.8880303060
  O        15.5280712904       15.1771686656       16.0863204228
  H        15.0256830551       15.2831389770       16.9131159209
  H        17.5345467558       15.0627368619       14.7278252265
  H        13.9822938951       13.0504895445       13.3032495744
  H        15.8439297761       17.5150861428       13.2804452919
      14
 i =       99, E =     -1643.7395717922
 Fe        14.9432706985       15.1729880726       14.3596725026
  O        15.0581182475       16.9380569736       13.2985534052
  H        14.2616907697       17.4788550415       13.1431670915
  O        14.9442114266       13.1946765165       13.4212245384
  H        15.2814260107       12.4111055426       13.8960593685
  O        17.0523705190       15.1757885113       13.8849040016
  H        17.4996047058       14.6262256697       13.2149691944
  O        13.1657804891       15.0606163599       14.2314884329
  H        12.4556784259       15.1635323399       14.8878860340
  O        15.5280692436       15.1771679586       16.0863213333
  H        15.0256192242       15.2830481073       16.9130964593
  H        17.5345612223       15.0627094542       14.7278091739
  H        13.9823001952       13.0504727484       13.3032386450
  H        15.8439915868       17.5150121759       13.2804114328
      14
 i =      100, E =     -1643.7395717153
 Fe        14.9432726658       15.1729880827       14.3596709851
  O        15.0581178343       16.9380568894       13.2985532115
  H        14.2616888331       17.4788497200       13.1431585482
  O        14.9442112230       13.1946766107       13.4212247348
  H        15.2814243345       12.4111072915       13.8960635303
  O        17.0523705271       15.1757885678       13.8849041828
  H        17.4996063604       14.6262260404       13.2149701886
  O        13.1657801807       15.0606164291       14.2314885945
  H        12.4556838825       15.1635347576       14.8878930057
  O        15.5280692152       15.1771681057       16.0863210135
  H        15.0256222367       15.2830523361       16.9130972751
  H        17.5345605491       15.0627107204       14.7278099290
  H        13.9822999666       13.0504735061       13.3032391306
  H        15.8439887003       17.5150156417       13.2804130161
      14
 i =      101, E =     -1643.7395716860
 Fe        14.9432621611       15.1729879302       14.3596691319
  O        15.0581188838       16.9380573639       13.2985534759
  H        14.2616990545       17.4788768832       13.1432022137
  O        14.9442117863       13.1946763889       13.4212241259
  H        15.2814330894       12.4110982281       13.8960422780
  O        17.0523707074       15.1757885900       13.8849033238
  H        17.4995978058       14.6262241080       13.2149651693
  O        13.1657838139       15.0606163077       14.2314872415
  H        12.4556540509       15.1635224634       14.8878583834
  O        15.5280686282       15.1771682740       16.0863240010
  H        15.0256074903       15.2830301971       16.9130914055
  H        17.5345641577       15.0627041455       14.7278061369
  H        13.9823012925       13.0504696718       13.3032365804
  H        15.8440037733       17.5149977833       13.2804048692
      14
 i =      102, E =     -1643.7395718829
 Fe        14.9432612324       15.1729879080       14.3596675723
  O        15.0581193123       16.9380575765       13.2985534071
  H        14.2617037833       17.4788892277       13.1432220723
  O        14.9442118918       13.1946765225       13.4212241884
  H        15.2814369706       12.4110941912       13.8960325654
  O        17.0523707037       15.1757884922       13.8849031078
  H        17.4995938678       14.6262233858       13.2149631542
  O        13.1657859461       15.0606161692       14.2314859804
  H        12.4556393044       15.1635170413       14.8878435615
  O        15.5280688569       15.1771684288       16.0863244372
  H        15.0256004283       15.2830202565       16.9130894783
  H        17.5345657133       15.0627011768       14.7278041611
  H        13.9823019391       13.0504678164       13.3032354055
  H        15.8440103128       17.5149895416       13.2804010800
      14
 i =      103, E =     -1643.7395718333
 Fe        14.9432573196       15.1729877164       14.3596638012
  O        15.0581209592       16.9380584114       13.2985537115
  H        14.2617194818       17.4789310082       13.1432892371
  O        14.9442126002       13.1946762870       13.4212233666
  H        15.2814503129       12.4110804079       13.8959999802
  O        17.0523705217       15.1757886249       13.8849018809
  H        17.4995808763       14.6262203801       13.2149554589
  O        13.1657888799       15.0606160197       14.2314846554
  H        12.4555939285       15.1634981701       14.8877898606
  O        15.5280679851       15.1771686337       16.0863272696
  H        15.0255774615       15.2829864333       16.9130810310
  H        17.5345711333       15.0626911177       14.7277983466
  H        13.9823039973       13.0504617797       13.3032314669
  H        15.8440332278       17.5149620022       13.2803885799
      14
 i =      104, E =     -1643.7395724040
 Fe        14.9432570139       15.1729869791       14.3596651914
  O        15.0581259514       16.9380618462       13.2985547895
  H        14.2617689659       17.4790610341       13.1434989737
  O        14.9442142595       13.1946754503       13.4212204231
  H        15.2814917241       12.4110376797       13.8958987791
  O        17.0523696964       15.1757887005       13.8848978897
  H        17.4995404661       14.6262112351       13.2149318818
  O        13.1657965772       15.0606151864       14.2314791521
  H        12.4554518731       15.1634397340       14.8876231538
  O        15.5280664850       15.1771684801       16.0863313379
  H        15.0255041683       15.2828816817       16.9130577861
  H        17.5345878042       15.0626598882       14.7277801518
  H        13.9823108696       13.0504429270       13.3032192890
  H        15.8441043291       17.5148760477       13.2803499081
      14
 i =      105, E =     -1643.7395729036
 Fe        14.9432500101       15.1729861738       14.3596610119
  O        15.0581342553       16.9380676170       13.2985578495
  H        14.2618517836       17.4792777448       13.1438502268
  O        14.9442173197       13.1946738864       13.4212147064
  H        15.2815598925       12.4109672835       13.8957321100
  O        17.0523683581       15.1757883339       13.8848911327
  H        17.4994739416       14.6261962415       13.2148931811
  O        13.1658102957       15.0606131167       14.2314673347
  H        12.4552151803       15.1633440283       14.8873466275
  O        15.5280629311       15.1771674360       16.0863399926
  H        15.0253831303       15.2827083089       16.9130187096
  H        17.5346150958       15.0626085590       14.7277500806
  H        13.9823222617       13.0504119929       13.3031995071
  H        15.8442228028       17.5147335009       13.2802866774
      14
 i =      106, E =     -1643.7395730571
 Fe        14.9432643971       15.1729846731       14.3596760562
  O        15.0581408335       16.9380726129       13.2985609877
  H        14.2619143017       17.4794410023       13.1441162933
  O        14.9442195342       13.1946724283       13.4212095267
  H        15.2816102029       12.4109154702       13.8956093800
  O        17.0523667378       15.1757879595       13.8848861146
  H        17.4994251044       14.6261851038       13.2148647381
  O        13.1658151320       15.0606113062       14.2314584605
  H        12.4550391669       15.1632737295       14.8871379216
  O        15.5280598389       15.1771657138       16.0863425962
  H        15.0252918323       15.2825796116       16.9129910028
  H        17.5346348638       15.0625707919       14.7277278024
  H        13.9823308479       13.0503891381       13.3031851038
  H        15.8443117753       17.5146268003       13.2802408927
      14
 i =      107, E =     -1643.7395732718
 Fe        14.9432482482       15.1729848673       14.3596630845
  O        15.0581423116       16.9380734285       13.2985614514
  H        14.2619327381       17.4794894495       13.1441957394
  O        14.9442203794       13.1946722919       13.4212086712
  H        15.2816248707       12.4109002897       13.8955734360
  O        17.0523668615       15.1757879296       13.8848848483
  H        17.4994107732       14.6261818531       13.2148564246
  O        13.1658221115       15.0606109427       14.2314549882
  H        12.4549854879       15.1632534911       14.8870775503
  O        15.5280585506       15.1771660963       16.0863478794
  H        15.0252662155       15.2825413384       16.9129807904
  H        17.5346407196       15.0625598081       14.7277211930
  H        13.9823331408       13.0503826514       13.3031809831
  H        15.8443382976       17.5145954589       13.2802275452
      14
 i =      108, E =     -1643.7395736016
 Fe        14.9432499124       15.1729848641       14.3596639233
  O        15.0581433598       16.9380741599       13.2985620093
  H        14.2619426297       17.4795154122       13.1442381885
  O        14.9442207711       13.1946721352       13.4212078833
  H        15.2816327231       12.4108921897       13.8955544074
  O        17.0523666695       15.1757878493       13.8848840279
  H        17.4994031451       14.6261801533       13.2148520486
  O        13.1658232435       15.0606106756       14.2314537115
  H        12.4549574608       15.1632426188       14.8870445882
  O        15.5280581556       15.1771659093       16.0863487754
  H        15.0252519334       15.2825210645       16.9129761598
  H        17.5346438068       15.0625539476       14.7277177490
  H        13.9823344013       13.0503791236       13.3031787625
  H        15.8443523947       17.5145785722       13.2802205456
      14
 i =      109, E =     -1643.7395736570
 Fe        14.9432520508       15.1729844382       14.3596669640
  O        15.0581469088       16.9380767134       13.2985632340
  H        14.2619784451       17.4796097712       13.1443927867
  O        14.9442219373       13.1946715491       13.4212054664
  H        15.2816611474       12.4108629547       13.8954852388
  O        17.0523659381       15.1757878470       13.8848811113
  H        17.4993756025       14.6261738430       13.2148360451
  O        13.1658278491       15.0606099708       14.2314494039
  H        12.4548560599       15.1632032078       14.8869246253
  O        15.5280565987       15.1771655822       16.0863517389
  H        15.0252000965       15.2824474912       16.9129594854
  H        17.5346550266       15.0625326958       14.7277053911
  H        13.9823390904       13.0503664206       13.3031707840
  H        15.8444035688       17.5145172764       13.2801950831
      14
 i =      110, E =     -1643.7395739120
 Fe        14.9432488350       15.1729841905       14.3596647557
  O        15.0581488227       16.9380779913       13.2985638264
  H        14.2619978592       17.4796612443       13.1444773418
  O        14.9442226905       13.1946711743       13.4212043373
  H        15.2816764653       12.4108472474       13.8954478087
  O        17.0523656902       15.1757879083       13.8848797611
  H        17.4993607610       14.6261703712       13.2148273298
  O        13.1658313901       15.0606096254       14.2314470082
  H        12.4548007964       15.1631820045       14.8868594609
  O        15.5280558409       15.1771655402       16.0863540393
  H        15.0251720551       15.2824075460       16.9129502467
  H        17.5346610514       15.0625212520       14.7276986381
  H        13.9823415353       13.0503596458       13.3031665457
  H        15.8444314280       17.5144839189       13.2801813178
      14
 i =      111, E =     -1643.7395740027
 Fe        14.9432498165       15.1729837246       14.3596662900
  O        15.0581526482       16.9380808234       13.2985649396
  H        14.2620375524       17.4797661535       13.1446499543
  O        14.9442239066       13.1946706274       13.4212019605
  H        15.2817075697       12.4108153003       13.8953719588
  O        17.0523650743       15.1757878520       13.8848767223
  H        17.4993305555       14.6261635135       13.2148099434
  O        13.1658378246       15.0606088350       14.2314418161
  H        12.4546877430       15.1631390958       14.8867270051
  O        15.5280544734       15.1771653658       16.0863573697
  H        15.0251146114       15.2823264220       16.9129320573
  H        17.5346732496       15.0624980343       14.7276849803
  H        13.9823466394       13.0503458317       13.3031579713
  H        15.8444879954       17.5144158805       13.2801534835
      14
 i =      112, E =     -1643.7395748524
 Fe        14.9432363245       15.1729821738       14.3596594284
  O        15.0581645849       16.9380889425       13.2985691296
  H        14.2621544733       17.4800762109       13.1451613179
  O        14.9442281970       13.1946688568       13.4211949284
  H        15.2817984009       12.4107220111       13.8951500670
  O        17.0523633439       15.1757876853       13.8848678604
  H        17.4992423597       14.6261433711       13.2147590884
  O        13.1658577067       15.0606063842       14.2314261885
  H        12.4543548636       15.1630140589       14.8863362253
  O        15.5280491638       15.1771646903       16.0863712351
  H        15.0249470230       15.2820879607       16.9128764717
  H        17.5347089611       15.0624302315       14.7276450898
  H        13.9823612329       13.0503056459       13.3031331383
  H        15.8446546633       17.5142154785       13.2800724693
      14
 i =      113, E =     -1643.7395748400
 Fe        14.9432573057       15.1729818636       14.3596751781
  O        15.0581674888       16.9380919656       13.2985706640
  H        14.2621897833       17.4801688646       13.1453156872
  O        14.9442287729       13.1946683018       13.4211922065
  H        15.2818248976       12.4106948384       13.8950858727
  O        17.0523622058       15.1757876724       13.8848651047
  H        17.4992168980       14.6261374545       13.2147444181
  O        13.1658583611       15.0606055088       14.2314219248
  H        12.4542567029       15.1629779809       14.8862187594
  O        15.5280477443       15.1771637474       16.0863704555
  H        15.0248961639       15.2820181119       16.9128618022
  H        17.5347190901       15.0624106001       14.7276336738
  H        13.9823658655       13.0502939554       13.3031260710
  H        15.8447046023       17.5141560585       13.2800494852
      14
 i =      114, E =     -1643.7395750270
 Fe        14.9432438146       15.1729815632       14.3596668553
  O        15.0581689310       16.9380927060       13.2985712034
  H        14.2622040125       17.4802071941       13.1453794156
  O        14.9442296348       13.1946681421       13.4211915230
  H        15.2818356619       12.4106837810       13.8950595708
  O        17.0523624297       15.1757877050       13.8848642440
  H        17.4992064696       14.6261349760       13.2147382938
  O        13.1658636976       15.0606052214       14.2314192500
  H        12.4542150725       15.1629634543       14.8861715680
  O        15.5280462014       15.1771640536       16.0863748541
  H        15.0248769006       15.2819890002       16.9128530868
  H        17.5347232365       15.0624026390       14.7276288586
  H        13.9823673207       13.0502893135       13.3031231982
  H        15.8447251815       17.5141316627       13.2800401537
      14
 i =      115, E =     -1643.7395754704
 Fe        14.9432433659       15.1729809118       14.3596662615
  O        15.0581745712       16.9380968831       13.2985729001
  H        14.2622609855       17.4803590605       13.1456324810
  O        14.9442314386       13.1946674095       13.4211886045
  H        15.2818781638       12.4106403300       13.8949556326
  O        17.0523615475       15.1757877983       13.8848602900
  H        17.4991653174       14.6261253969       13.2147146690
  O        13.1658727176       15.0606042631       14.2314121435
  H        12.4540531057       15.1629056486       14.8859813442
  O        15.5280444020       15.1771638246       16.0863787769
  H        15.0247954073       15.2818750743       16.9128271722
  H        17.5347395786       15.0623710797       14.7276101261
  H        13.9823741263       13.0502706557       13.3031118986
  H        15.8448059416       17.5140343902       13.2800032835
      14
 i =      116, E =     -1643.7395756663
 Fe        14.9432393635       15.1729800945       14.3596676013
  O        15.0581797432       16.9381006718       13.2985751874
  H        14.2623086368       17.4804860358       13.1458447946
  O        14.9442333662       13.1946665127       13.4211856530
  H        15.2819130895       12.4106047095       13.8948700517
  O        17.0523607020       15.1757877884       13.8848570029
  H        17.4991315986       14.6261173699       13.2146951366
  O        13.1658789864       15.0606033007       14.2314062572
  H        12.4539189516       15.1628582076       14.8858219232
  O        15.5280422358       15.1771632346       16.0863829934
  H        15.0247280463       15.2817805971       16.9128050247
  H        17.5347528929       15.0623451687       14.7275946497
  H        13.9823795433       13.0502553128       13.3031027083
  H        15.8448731366       17.5139533301       13.2799732410
      14
 i =      117, E =     -1643.7395755536
 Fe        14.9432390769       15.1729801839       14.3596676004
  O        15.0581789277       16.9381002601       13.2985745218
  H        14.2623078635       17.4804838519       13.1458413081
  O        14.9442327624       13.1946670096       13.4211857816
  H        15.2819126855       12.4106049045       13.8948716459
  O        17.0523608017       15.1757877244       13.8848564210
  H        17.4991319364       14.6261177405       13.2146957199
  O        13.1658799863       15.0606034570       14.2314064617
  H        12.4539206669       15.1628590006       14.8858249020
  O        15.5280419928       15.1771637139       16.0863840571
  H        15.0247296687       15.2817819532       16.9128045166
  H        17.5347529662       15.0623455378       14.7275953555
  H        13.9823797072       13.0502556627       13.3031028961
  H        15.8448723135       17.5139548710       13.2799737148
      14
 i =      118, E =     -1643.7395756296
 Fe        14.9432391028       15.1729802838       14.3596678685
  O        15.0581786777       16.9381000204       13.2985742882
  H        14.2623055118       17.4804778087       13.1458310588
  O        14.9442327336       13.1946670929       13.4211859923
  H        15.2819110298       12.4106066020       13.8948757094
  O        17.0523608638       15.1757877582       13.8848566556
  H        17.4991335427       14.6261181013       13.2146966224
  O        13.1658796872       15.0606035440       14.2314069102
  H        12.4539270498       15.1628612230       14.8858324964
  O        15.5280420956       15.1771638512       16.0863838379
  H        15.0247328999       15.2817864078       16.9128054866
  H        17.5347523126       15.0623467727       14.7275960473
  H        13.9823793405       13.0502563761       13.3031033145
  H        15.8448690512       17.5139586900       13.2799751416
      14
 i =      119, E =     -1643.7395759474
 Fe        14.9432435092       15.1729801505       14.3596653488
  O        15.0581824344       16.9381026392       13.2985757528
  H        14.2623436288       17.4805804669       13.1460029525
  O        14.9442340908       13.1946663910       13.4211837292
  H        15.2819390132       12.4105780592       13.8948075800
  O        17.0523601859       15.1757880490       13.8848542862
  H        17.4991066827       14.6261115391       13.2146808320
  O        13.1658839855       15.0606028700       14.2314026936
  H        12.4538190796       15.1628234315       14.8857036352
  O        15.5280406007       15.1771635879       16.0863874811
  H        15.0246787336       15.2817104561       16.9127875196
  H        17.5347629404       15.0623261462       14.7275838791
  H        13.9823836070       13.0502443054       13.3030960524
  H        15.8449235230       17.5138934691       13.2799514311
      14
 i =      120, E =     -1643.7395761142
 Fe        14.9432314959       15.1729786092       14.3596703043
  O        15.0581863971       16.9381062379       13.2985773145
  H        14.2623868333       17.4806957020       13.1461971585
  O        14.9442353725       13.1946655541       13.4211810489
  H        15.2819701950       12.4105462463       13.8947316626
  O        17.0523600076       15.1757879364       13.8848507812
  H        17.4990765744       14.6261044912       13.2146635426
  O        13.1658930881       15.0606019925       14.2313964901
  H        12.4536968659       15.1627817004       14.8855599935
  O        15.5280384980       15.1771632686       16.0863915191
  H        15.0246181948       15.2816254448       16.9127668415
  H        17.5347748235       15.0623031970       14.7275706170
  H        13.9823886107       13.0502310469       13.3030881575
  H        15.8449847951       17.5138202967       13.2799250084
      14
 i =      121, E =     -1643.7395773092
 Fe        14.9433002447       15.1729822181       14.3596527507
  O        15.0582074049       16.9381224022       13.2985882693
  H        14.2626113090       17.4812960316       13.1472091965
  O        14.9442415337       13.1946624695       13.4211673463
  H        15.2821306935       12.4103823725       13.8943411662
  O        17.0523545782       15.1757887722       13.8848359386
  H        17.4989226105       14.6260670822       13.2145740893
  O        13.1659105057       15.0605975706       14.2313713802
  H        12.4530688397       15.1625666447       14.8848067334
  O        15.5280262149       15.1771607417       16.0864142993
  H        15.0243048677       15.2811861136       16.9126606244
  H        17.5348349016       15.0621851316       14.7275008258
  H        13.9824145065       13.0501619195       13.3030473797
  H        15.8453029233       17.5134406072       13.2797900886
      14
 i =      122, E =     -1643.7395777265
 Fe        14.9430038985       15.1729561197       14.3597129597
  O        15.0582200881       16.9381347250       13.2985906422
  H        14.2627064145       17.4815482897       13.1476416597
  O        14.9442484034       13.1946600233       13.4211616571
  H        15.2821957535       12.4103157553       13.8941808270
  O        17.0523622191       15.1757848573       13.8848231584
  H        17.4988575501       14.6260545015       13.2145401969
  O        13.1659926842       15.0605943399       14.2313371467
  H        12.4527858800       15.1624830333       14.8845096854
  O        15.5280270643       15.1771594474       16.0864206861
  H        15.0241713442       15.2810036962       16.9126184325
  H        17.5348608879       15.0621372674       14.7274743842
  H        13.9824234293       13.0501359950       13.3030321774
  H        15.8454350658       17.5132811043       13.2797355584
      14
 i =      123, E =     -1643.7395778769
 Fe        14.9431697291       15.1729696745       14.3597024942
  O        15.0582186284       16.9381340135       13.2985918554
  H        14.2627285424       17.4816062246       13.1477398516
  O        14.9442460179       13.1946609417       13.4211602022
  H        15.2822102966       12.4103008608       13.8941473416
  O        17.0523564085       15.1757870908       13.8848237998
  H        17.4988450683       14.6260499368       13.2145317705
  O        13.1659557158       15.0605950252       14.2313476949
  H        12.4527362908       15.1624628177       14.8844265304
  O        15.5280230939       15.1771596268       16.0864217211
  H        15.0241429412       15.2809631812       16.9126075757
  H        17.5348656457       15.0621267559       14.7274681849
  H        13.9824268796       13.0501291593       13.3030283292
  H        15.8454663910       17.5132457682       13.2797251080
      14
 i =      124, E =     -1643.7395783380
 Fe        14.9432708297       15.1729788026       14.3596472572
  O        15.0582228158       16.9381338110       13.2985938039
  H        14.2627624468       17.4817013859       13.1479003488
  O        14.9442469357       13.1946610104       13.4211597990
  H        15.2822328308       12.4102781418       13.8940918202
  O        17.0523527715       15.1757890325       13.8848256081
  H        17.4988241231       14.6260433205       13.2145184273
  O        13.1659386612       15.0605951613       14.2313508889
  H        12.4526435449       15.1624322213       14.8843037409
  O        15.5280232920       15.1771600087       16.0864280560
  H        15.0240952273       15.2808975543       16.9125930680
  H        17.5348732862       15.0621102612       14.7274568138
  H        13.9824302267       13.0501189372       13.3030224487
  H        15.8455146123       17.5131868314       13.2797078662
      14
 i =      125, E =     -1643.7395783205
 Fe        14.9432880331       15.1729791114       14.3596119447
  O        15.0582336806       16.9381381767       13.2985964634
  H        14.2628393176       17.4819149004       13.1482642849
  O        14.9442508656       13.1946599006       13.4211579481
  H        15.2822832627       12.4102273209       13.8939669969
  O        17.0523512261       15.1757901758       13.8848241183
  H        17.4987755830       14.6260305187       13.2144901306
  O        13.1659480947       15.0605943180       14.2313429961
  H        12.4524226260       15.1623659082       14.8840398094
  O        15.5280250757       15.1771602700       16.0864351213
  H        15.0239856839       15.2807499581       16.9125614700
  H        17.5348914314       15.0620734726       14.7274334105
  H        13.9824370272       13.0500974938       13.3030100999
  H        15.8456228113       17.5130539034       13.2796688835
      14
 i =      126, E =     -1643.7395786015
 Fe        14.9431670620       15.1729678435       14.3597009508
  O        15.0582296133       16.9381413687       13.2985945817
  H        14.2628308494       17.4818843804       13.1482167243
  O        14.9442495352       13.1946600526       13.4211560439
  H        15.2822766901       12.4102334861       13.8939849521
  O        17.0523552290       15.1757876199       13.8848179567
  H        17.4987810320       14.6260340864       13.2144959066
  O        13.1659728569       15.0605938294       14.2313354752
  H        12.4524461607       15.1623763868       14.8840821333
  O        15.5280222055       15.1771601464       16.0864299061
  H        15.0240011828       15.2807697415       16.9125625355
  H        17.5348900547       15.0620784752       14.7274393788
  H        13.9824367526       13.0501013930       13.3030124071
  H        15.8456093910       17.5130728731       13.2796742807
      14
 i =      127, E =     -1643.7395787100
 Fe        14.9431804109       15.1729691837       14.3597097708
  O        15.0582306358       16.9381442833       13.2985958494
  H        14.2628701908       17.4819873960       13.1483954815
  O        14.9442491857       13.1946601592       13.4211534711
  H        15.2823012935       12.4102082399       13.8939262121
  O        17.0523541340       15.1757876854       13.8848143190
  H        17.4987575054       14.6260284802       13.2144832575
  O        13.1659741867       15.0605933627       14.2313322845
  H        12.4523394981       15.1623448484       14.8839521959
  O        15.5280184171       15.1771603105       16.0864346912
  H        15.0239503980       15.2806978795       16.9125426670
  H        17.5348992932       15.0620607645       14.7274297412
  H        13.9824412766       13.0500914338       13.3030067277
  H        15.8456638987       17.5130094639       13.2796561865
      14
 i =      128, E =     -1643.7395813995
 Fe        14.9429038005       15.1729380599       14.3596258778
  O        15.0583035183       16.9381906965       13.2986221748
  H        14.2634559739       17.4835900663       13.1511558408
  O        14.9442770019       13.1946506492       13.4211291098
  H        15.2826714393       12.4098335973       13.8930161854
  O        17.0523521335       15.1757913623       13.8847842567
  H        17.4983997088       14.6259369816       13.2142814272
  O        13.1661205711       15.0605824847       14.2312403928
  H        12.4506569890       15.1618686826       14.8819845219
  O        15.5280003951       15.1771578853       16.0865035799
  H        15.0231486226       15.2795957273       16.9122714989
  H        17.5350355691       15.0617919449       14.7272685290
  H        13.9824926199       13.0499403463       13.3029197347
  H        15.8464813326       17.5120170999       13.2793791107
      14
 i =      129, E =     -1643.7395818266
 Fe        14.9432389320       15.1729675475       14.3596794675
  O        15.0582860166       16.9381896159       13.2986214439
  H        14.2634718435       17.4836107306       13.1511980260
  O        14.9442658343       13.1946541637       13.4211247032
  H        15.2826781286       12.4098256901       13.8930079525
  O        17.0523427861       15.1757923953       13.8847798809
  H        17.4983953084       14.6259361145       13.2142807162
  O        13.1660428913       15.0605842383       14.2312645222
  H        12.4506526094       15.1618595132       14.8819322572
  O        15.5279925316       15.1771575593       16.0864916681
  H        15.0231372522       15.2795805504       16.9122668249
  H        17.5350373935       15.0617879392       14.7272692568
  H        13.9824990950       13.0499369920       13.3029182008
  H        15.8465002585       17.5120064581       13.2793773372
      14
 i =      130, E =     -1643.7395820085
 Fe        14.9431809293       15.1729635331       14.3596676584
  O        15.0582906800       16.9381913968       13.2986229411
  H        14.2634904800       17.4836630776       13.1512904041
  O        14.9442683589       13.1946534992       13.4211245669
  H        15.2826875371       12.4098162332       13.8929832973
  O        17.0523449085       15.1757918488       13.8847795381
  H        17.4983854029       14.6259335875       13.2142756253
  O        13.1660595176       15.0605837117       14.2312586926
  H        12.4505952165       15.1618482724       14.8818704627
  O        15.5279944591       15.1771572474       16.0864947624
  H        15.0231115866       15.2795473330       16.9122594128
  H        17.5350404991       15.0617811872       14.7272644165
  H        13.9824995566       13.0499335857       13.3029162372
  H        15.8465254437       17.5119746833       13.2793715072
      14
 i =      131, E =     -1643.7395820551
 Fe        14.9432075822       15.1729651767       14.3596712441
  O        15.0582903929       16.9381921775       13.2986229082
  H        14.2635041745       17.4836983715       13.1513534642
  O        14.9442678126       13.1946537709       13.4211238728
  H        15.2826943883       12.4098092087       13.8929671437
  O        17.0523443723       15.1757919342       13.8847786866
  H        17.4983788317       14.6259318401       13.2142722856
  O        13.1660567482       15.0605837438       14.2312594408
  H        12.4505595438       15.1618400384       14.8818245190
  O        15.5279939818       15.1771574152       16.0864947014
  H        15.0230943539       15.2795246503       16.9122537889
  H        17.5350427493       15.0617764927       14.7272617597
  H        13.9825009149       13.0499310202       13.3029148208
  H        15.8465438956       17.5119535427       13.2793676951
      14
 i =      132, E =     -1643.7395819630
 Fe        14.9432074470       15.1729651110       14.3596715483
  O        15.0582911486       16.9381930721       13.2986230334
  H        14.2635164014       17.4837304213       13.1514106135
  O        14.9442677174       13.1946538680       13.4211235425
  H        15.2827003990       12.4098030663       13.8929523392
  O        17.0523442763       15.1757918296       13.8847779587
  H        17.4983728399       14.6259303668       13.2142694679
  O        13.1660592146       15.0605835680       14.2312581929
  H        12.4505255365       15.1618329159       14.8817846025
  O        15.5279940565       15.1771574750       16.0864953385
  H        15.0230785734       15.2795041874       16.9122492795
  H        17.5350448499       15.0617722610       14.7272591787
  H        13.9825020628       13.0499287992       13.3029136268
  H        15.8465599693       17.5119341935       13.2793641639
      14
 i =      133, E =     -1643.7395821741
 Fe        14.9432057099       15.1729648002       14.3596716989
  O        15.0582928246       16.9381944004       13.2986235848
  H        14.2635350066       17.4837803175       13.1514992602
  O        14.9442681085       13.1946538118       13.4211229054
  H        15.2827096992       12.4097935975       13.8929294677
  O        17.0523441409       15.1757919518       13.8847769180
  H        17.4983637210       14.6259278427       13.2142647434
  O        13.1660624771       15.0605834380       14.2312568476
  H        12.4504738269       15.1618217984       14.8817218452
  O        15.5279933543       15.1771576324       16.0864976034
  H        15.0230548668       15.2794723319       16.9122408944
  H        17.5350481377       15.0617657213       14.7272553652
  H        13.9825034946       13.0499254224       13.3029117500
  H        15.8465850669       17.5119042048       13.2793587637
      14
 i =      134, E =     -1643.7395823701
 Fe        14.9432057751       15.1729643676       14.3596712443
  O        15.0582960729       16.9381967767       13.2986249438
  H        14.2635666358       17.4838652398       13.1516500145
  O        14.9442689061       13.1946537921       13.4211218606
  H        15.2827253425       12.4097776369       13.8928907385
  O        17.0523439223       15.1757920470       13.8847754142
  H        17.4983482584       14.6259236492       13.2142569617
  O        13.1660687345       15.0605829489       14.2312528969
  H        12.4503842951       15.1618032425       14.8816163200
  O        15.5279925971       15.1771576428       16.0865007541
  H        15.0230142491       15.2794183765       16.9122272827
  H        17.5350535549       15.0617546694       14.7272485522
  H        13.9825058937       13.0499195930       13.3029085228
  H        15.8466275143       17.5118531731       13.2793497272
      14
 i =      135, E =     -1643.7395826159
 Fe        14.9432053317       15.1729641863       14.3596738422
  O        15.0583008377       16.9381998812       13.2986286631
  H        14.2636063834       17.4839735266       13.1518415880
  O        14.9442703323       13.1946533227       13.4211197078
  H        15.2827451668       12.4097574225       13.8928421192
  O        17.0523431347       15.1757925543       13.8847733023
  H        17.4983290405       14.6259178689       13.2142465135
  O        13.1660703774       15.0605823311       14.2312485504
  H        12.4502734298       15.1617796463       14.8814797083
  O        15.5279897302       15.1771568300       16.0865052739
  H        15.0229635400       15.2793499385       16.9122084022
  H        17.5350605156       15.0617407097       14.7272404931
  H        13.9825086357       13.0499123193       13.3029043607
  H        15.8466821720       17.5117886538       13.2793388055
      14
 i =      136, E =     -1643.7395827497
 Fe        14.9432006477       15.1729629150       14.3596711876
  O        15.0583038177       16.9382037898       13.2986317768
  H        14.2636490116       17.4840858247       13.1520420885
  O        14.9442710928       13.1946530329       13.4211175940
  H        15.2827656594       12.4097364614       13.8927920247
  O        17.0523429523       15.1757926710       13.8847710471
  H        17.4983089109       14.6259120872       13.2142360402
  O        13.1660784692       15.0605813026       14.2312406565
  H        12.4501543454       15.1617559288       14.8813398714
  O        15.5279883277       15.1771559669       16.0865084400
  H        15.0229096450       15.2792789521       16.9121905209
  H        17.5350675361       15.0617263764       14.7272319978
  H        13.9825119156       13.0499050065       13.3029001230
  H        15.8467397387       17.5117216227       13.2793278743
      14
 i =      137, E =     -1643.7395829068
 Fe        14.9432037551       15.1729631731       14.3596719022
  O        15.0583060606       16.9382060416       13.2986310362
  H        14.2636792278       17.4841669367       13.1521866949
  O        14.9442714353       13.1946530505       13.4211171425
  H        15.2827801755       12.4097217512       13.8927562669
  O        17.0523429328       15.1757930759       13.8847696346
  H        17.4982945838       14.6259079906       13.2142288483
  O        13.1660844900       15.0605814396       14.2312399688
  H        12.4500694750       15.1617388955       14.8812373268
  O        15.5279885568       15.1771568306       16.0865110108
  H        15.0228706792       15.2792278359       16.9121776463
  H        17.5350724588       15.0617162199       14.7272259476
  H        13.9825142847       13.0498997878       13.3028970989
  H        15.8467805173       17.5116730216       13.2793202241
      14
 i =      138, E =     -1643.7395832381
 Fe        14.9431959843       15.1729618072       14.3596731748
  O        15.0583125601       16.9382093022       13.2986325971
  H        14.2637244943       17.4842926858       13.1524091097
  O        14.9442731151       13.1946529329       13.4211156844
  H        15.2828022572       12.4096992146       13.8927017705
  O        17.0523422856       15.1757938730       13.8847671606
  H        17.4982729681       14.6259013861       13.2142175309
  O        13.1660908053       15.0605813528       14.2312374370
  H        12.4499405017       15.1617129023       14.8810782412
  O        15.5279867810       15.1771572304       16.0865165712
  H        15.0228119079       15.2791492961       16.9121562787
  H        17.5350802818       15.0617006583       14.7272171740
  H        13.9825172649       13.0498918726       13.3028924759
  H        15.8468425660       17.5115980063       13.2793088135
      14
 i =      139, E =     -1643.7395832138
 Fe        14.9432110483       15.1729631403       14.3596740989
  O        15.0583142555       16.9382128341       13.2986358871
  H        14.2637661572       17.4844014995       13.1526038531
  O        14.9442736851       13.1946528952       13.4211136122
  H        15.2828213883       12.4096795566       13.8926550352
  O        17.0523416996       15.1757940713       13.8847654606
  H        17.4982542429       14.6258957004       13.2142078727
  O        13.1660941686       15.0605804175       14.2312305782
  H        12.4498256085       15.1616909777       14.8809407925
  O        15.5279856938       15.1771563653       16.0865184542
  H        15.0227596043       15.2790812656       16.9121394702
  H        17.5350866309       15.0616873600       14.7272091367
  H        13.9825203403       13.0498849404       13.3028884514
  H        15.8468983941       17.5115333940       13.2792993843
      14
 i =      140, E =     -1643.7395834917
 Fe        14.9432073170       15.1729627517       14.3596728817
  O        15.0583152270       16.9382132234       13.2986362785
  H        14.2637716572       17.4844166693       13.1526307426
  O        14.9442738663       13.1946527986       13.4211133885
  H        15.2828239344       12.4096769177       13.8926485795
  O        17.0523415379       15.1757940023       13.8847649902
  H        17.4982515974       14.6258950213       13.2142067427
  O        13.1660945125       15.0605802859       14.2312298078
  H        12.4498101194       15.1616879876       14.8809215875
  O        15.5279843500       15.1771562848       16.0865193943
  H        15.0227530299       15.2790718034       16.9121363818
  H        17.5350875936       15.0616854976       14.7272080428
  H        13.9825207505       13.0498841035       13.3028879206
  H        15.8469057731       17.5115244332       13.2792981336
      14
 i =      141, E =     -1643.7395837391
 Fe        14.9431624284       15.1729571581       14.3596680212
  O        15.0583232571       16.9382191864       13.2986388735
  H        14.2638405589       17.4846037622       13.1529638284
  O        14.9442760534       13.1946521727       13.4211115482
  H        15.2828556437       12.4096445284       13.8925691180
  O        17.0523416175       15.1757945590       13.8847616320
  H        17.4982198785       14.6258853667       13.2141905616
  O        13.1661139665       15.0605793635       14.2312197847
  H        12.4496127434       15.1616516273       14.8806877513
  O        15.5279822070       15.1771564279       16.0865262785
  H        15.0226651745       15.2789556782       16.9121059012
  H        17.5350987123       15.0616631210       14.7271948718
  H        13.9825254211       13.0498731421       13.3028813933
  H        15.8469986168       17.5114128860       13.2792823551
      14
 i =      142, E =     -1643.7395838879
 Fe        14.9431977805       15.1729589968       14.3596741982
  O        15.0583287339       16.9382218160       13.2986407867
  H        14.2638774694       17.4847064737       13.1531452377
  O        14.9442768460       13.1946524663       13.4211101116
  H        15.2828727372       12.4096268826       13.8925269650
  O        17.0523398263       15.1757953093       13.8847596329
  H        17.4982030905       14.6258799710       13.2141819882
  O        13.1661102182       15.0605793384       14.2312191685
  H        12.4495089776       15.1616317124       14.8805556359
  O        15.5279808108       15.1771563378       16.0865275932
  H        15.0226171170       15.2788928824       16.9120898388
  H        17.5351045618       15.0616511003       14.7271881530
  H        13.9825278899       13.0498668134       13.3028776673
  H        15.8470488047       17.5113518512       13.2792744399
      14
 i =      143, E =     -1643.7395842062
 Fe        14.9431383388       15.1729565409       14.3596616851
  O        15.0583304598       16.9382268671       13.2986436446
  H        14.2639404769       17.4848693792       13.1534390204
  O        14.9442783748       13.1946523963       13.4211079239
  H        15.2828999144       12.4095986232       13.8924593836
  O        17.0523413829       15.1757948301       13.8847567349
  H        17.4981754552       14.6258720674       13.2141688227
  O        13.1661340328       15.0605780151       14.2312060972
  H        12.4493319387       15.1616017498       14.8803523057
  O        15.5279784585       15.1771563347       16.0865377244
  H        15.0225415023       15.2787914704       16.9120614455
  H        17.5351137211       15.0616322767       14.7271763778
  H        13.9825321444       13.0498578240       13.3028721685
  H        15.8471325936       17.5112558366       13.2792618495
      14
 i =      144, E =     -1643.7395841895
 Fe        14.9431417306       15.1729555890       14.3596665117
  O        15.0583319679       16.9382307974       13.2986459332
  H        14.2639828518       17.4849797394       13.1536373733
  O        14.9442789402       13.1946518492       13.4211061843
  H        15.2829179767       12.4095801120       13.8924147866
  O        17.0523416540       15.1757950438       13.8847552349
  H        17.4981573904       14.6258664129       13.2141598506
  O        13.1661395624       15.0605773981       14.2312006215
  H        12.4492152728       15.1615816712       14.8802111530
  O        15.5279768504       15.1771559940       16.0865410324
  H        15.0224899198       15.2787234454       16.9120428555
  H        17.5351194497       15.0616198622       14.7271685879
  H        13.9825351289       13.0498517570       13.3028683389
  H        15.8471891523       17.5111906594       13.2792542969
      14
 i =      145, E =     -1643.7395845134
 Fe        14.9432424982       15.1729620704       14.3596803916
  O        15.0583359498       16.9382305910       13.2986461693
  H        14.2639860254       17.4849948990       13.1536606414
  O        14.9442780572       13.1946522709       13.4211059020
  H        15.2829202229       12.4095779145       13.8924098639
  O        17.0523378624       15.1757962304       13.8847549214
  H        17.4981557865       14.6258652403       13.2141586877
  O        13.1661145877       15.0605781108       14.2312091146
  H        12.4492082044       15.1615781540       14.8801861292
  O        15.5279763799       15.1771557467       16.0865339556
  H        15.0224818064       15.2787156282       16.9120438268
  H        17.5351202394       15.0616181745       14.7271683532
  H        13.9825355994       13.0498502933       13.3028675374
  H        15.8471940817       17.5111811336       13.2792538292
      14
 i =      146, E =     -1643.7395847019
 Fe        14.9432108991       15.1729601650       14.3596748017
  O        15.0583408056       16.9382331125       13.2986481945
  H        14.2640172888       17.4850816423       13.1538145279
  O        14.9442798010       13.1946521124       13.4211049550
  H        15.2829338635       12.4095637517       13.8923756288
  O        17.0523382013       15.1757964740       13.8847531523
  H        17.4981419436       14.6258608268       13.2141518567
  O        13.1661257764       15.0605775363       14.2312031308
  H        12.4491155629       15.1615633033       14.8800780037
  O        15.5279747069       15.1771558818       16.0865394053
  H        15.0224426179       15.2786627715       16.9120283755
  H        17.5351251031       15.0616086366       14.7271628659
  H        13.9825370115       13.0498458172       13.3028646173
  H        15.8472365258       17.5111298021       13.2792482218
      14
 i =      147, E =     -1643.7395849355
 Fe        14.9432291556       15.1729592784       14.3596810706
  O        15.0583430149       16.9382397410       13.2986515750
  H        14.2640953163       17.4852841954       13.1541788277
  O        14.9442800459       13.1946520463       13.4211019919
  H        15.2829661762       12.4095301724       13.8922957994
  O        17.0523370265       15.1757974756       13.8847498865
  H        17.4981096437       14.6258501568       13.2141359144
  O        13.1661319493       15.0605767905       14.2311956851
  H        12.4489018495       15.1615276906       14.8798162796
  O        15.5279721707       15.1771555389       16.0865430225
  H        15.0223473068       15.2785387596       16.9119962105
  H        17.5351358274       15.0615862459       14.7271496662
  H        13.9825427490       13.0498350802       13.3028577355
  H        15.8473399798       17.5110104718       13.2792354327
      14
 i =      148, E =     -1643.7395847537
 Fe        14.9431963374       15.1729575208       14.3596732921
  O        15.0583461364       16.9382430345       13.2986537380
  H        14.2641307306       17.4853775434       13.1543466021
  O        14.9442810513       13.1946515642       13.4211009273
  H        15.2829803956       12.4095153611       13.8922597308
  O        17.0523380685       15.1757972456       13.8847483356
  H        17.4980947447       14.6258455811       13.2141291066
  O        13.1661447585       15.0605760769       14.2311884355
  H        12.4488005589       15.1615125616       14.8796984027
  O        15.5279708033       15.1771552975       16.0865484169
  H        15.0223046029       15.2784819986       16.9119799949
  H        17.5351405303       15.0615763499       14.7271434573
  H        13.9825451016       13.0498306928       13.3028547581
  H        15.8473868684       17.5109554650       13.2792300810
      14
 i =      149, E =     -1643.7395850327
 Fe        14.9431633221       15.1729562404       14.3596682119
  O        15.0583506957       16.9382430726       13.2986543472
  H        14.2641329347       17.4853892771       13.1543653526
  O        14.9442828351       13.1946514749       13.4211011625
  H        15.2829817683       12.4095138916       13.8922556543
  O        17.0523388419       15.1757971232       13.8847477988
  H        17.4980930335       14.6258451713       13.2141284388
  O        13.1661531193       15.0605759781       14.2311864052
  H        12.4487875078       15.1615111855       14.8796862754
  O        15.5279714088       15.1771555871       16.0865518631
  H        15.0223002515       15.2784754073       16.9119772463
  H        17.5351413319       15.0615752854       14.7271429756
  H        13.9825443348       13.0498302865       13.3028544115
  H        15.8473906608       17.5109482771       13.2792296207
      14
 i =      150, E =     -1643.7395853625
 Fe        14.9431895800       15.1729568520       14.3596750520
  O        15.0583571293       16.9382477373       13.2986578824
  H        14.2641922730       17.4855493054       13.1546502566
  O        14.9442844118       13.1946515672       13.4210989352
  H        15.2830059505       12.4094885198       13.8921955895
  O        17.0523377606       15.1757979660       13.8847452540
  H        17.4980684753       14.6258368930       13.2141168084
  O        13.1661557530       15.0605756249       14.2311822264
  H        12.4486202775       15.1614848344       14.8794783673
  O        15.5279700118       15.1771554237       16.0865565038
  H        15.0222263362       15.2783790030       16.9119510339
  H        17.5351494351       15.0615584765       14.7271331007
  H        13.9825478566       13.0498222927       13.3028490033
  H        15.8474701370       17.5108540241       13.2792215469
      14
 i =      151, E =     -1643.7395848215
 Fe        14.9434270506       15.1729685294       14.3597223759
  O        15.0583336190       16.9382367498       13.2986494253
  H        14.2640624685       17.4851901111       13.1540114364
  O        14.9442749306       13.1946533821       13.4211015848
  H        15.2829534336       12.4095435991       13.8923308735
  O        17.0523325366       15.1757978795       13.8847517854
  H        17.4981239620       14.6258548575       13.2141429551
  O        13.1660822128       15.0605778840       14.2312113329
  H        12.4490108301       15.1615402241       14.8799268712
  O        15.5279701250       15.1771548024       16.0865265991
  H        15.0223883691       15.2785952232       16.9120145469
  H        17.5351302972       15.0615954111       14.7271549429
  H        13.9825425525       13.0498379791       13.3028602450
  H        15.8472954964       17.5110662340       13.2792399528
      14
 i =      152, E =     -1643.7395846015
 Fe        14.9432750062       15.1729613099       14.3596869287
  O        15.0583389858       16.9382383694       13.2986511347
  H        14.2640804460       17.4852415314       13.1541033137
  O        14.9442787169       13.1946524988       13.4211019280
  H        15.2829607919       12.4095358931       13.8923103452
  O        17.0523365616       15.1757970672       13.8847509932
  H        17.4981155024       14.6258526295       13.2141390547
  O        13.1661194543       15.0605769751       14.2311992317
  H        12.4489485431       15.1615331130       14.8798702426
  O        15.5279711748       15.1771552602       16.0865394607
  H        15.0223667623       15.2785636766       16.9120032412
  H        17.5351333517       15.0615901554       14.7271511447
  H        13.9825422712       13.0498362874       13.3028588824
  H        15.8473200376       17.5110359051       13.2792366501
      14
 i =      153, E =     -1643.7395847148
 Fe        14.9431253607       15.1729548133       14.3596582178
  O        15.0583479216       16.9382403280       13.2986528896
  H        14.2640983436       17.4852971950       13.1542009941
  O        14.9442826490       13.1946514432       13.4211023372
  H        15.2829685720       12.4095278194       13.8922886019
  O        17.0523401803       15.1757962697       13.8847490881
  H        17.4981065064       14.6258503400       13.2141350757
  O        13.1661569797       15.0605760050       14.2311867716
  H        12.4488824349       15.1615255692       14.8798094398
  O        15.5279720854       15.1771556812       16.0865515726
  H        15.0223434756       15.2785301904       16.9119914605
  H        17.5351369691       15.0615844878       14.7271479563
  H        13.9825420041       13.0498344771       13.3028574236
  H        15.8473447317       17.5110025396       13.2792332622
      14
 i =      154, E =     -1643.7395852047
 Fe        14.9431557013       15.1729560449       14.3596683347
  O        15.0583515160       16.9382428561       13.2986544682
  H        14.2641281828       17.4853781258       13.1543447257
  O        14.9442831570       13.1946513623       13.4211013358
  H        15.2829808786       12.4095150978       13.8922578376
  O        17.0523387838       15.1757970474       13.8847479374
  H        17.4980942538       14.6258459601       13.2141289178
  O        13.1661538040       15.0605760069       14.2311864116
  H        12.4487995462       15.1615117716       14.8797033021
  O        15.5279719458       15.1771554031       16.0865508936
  H        15.0223052740       15.2784815900       16.9119795903
  H        17.5351410832       15.0615758617       14.7271429891
  H        13.9825439288       13.0498301594       13.3028546006
  H        15.8473845005       17.5109546393       13.2792290106
      14
 i =      155, E =     -1643.7395850038
 Fe        14.9432103033       15.1729578747       14.3596765679
  O        15.0583502929       16.9382451338       13.2986551914
  H        14.2641615713       17.4854625899       13.1544970827
  O        14.9442821994       13.1946518372       13.4210999067
  H        15.2829940262       12.4095012732       13.8922259897
  O        17.0523370844       15.1757978806       13.8847468648
  H        17.4980813414       14.6258413277       13.2141225440
  O        13.1661457482       15.0605760934       14.2311875832
  H        12.4487128099       15.1614972287       14.8795895753
  O        15.5279706007       15.1771555117       16.0865510581
  H        15.0222654724       15.2784301683       16.9119663105
  H        17.5351452375       15.0615668577       14.7271377309
  H        13.9825467253       13.0498256879       13.3028516693
  H        15.8474284723       17.5109052310       13.2792246877
      14
 i =      156, E =     -1643.7395850467
 Fe        14.9432011263       15.1729574185       14.3596735247
  O        15.0583514518       16.9382456542       13.2986559352
  H        14.2641661739       17.4854754443       13.1545198372
  O        14.9442825815       13.1946517369       13.4210997216
  H        15.2829958997       12.4094993077       13.8922211896
  O        17.0523373060       15.1757977820       13.8847465881
  H        17.4980793363       14.6258407327       13.2141216608
  O        13.1661484398       15.0605758479       14.2311855589
  H        12.4486983510       15.1614953724       14.8795741022
  O        15.5279700222       15.1771553541       16.0865522685
  H        15.0222599163       15.2784224567       16.9119636897
  H        17.5351458893       15.0615655480       14.7271369159
  H        13.9825468876       13.0498251297       13.3028512551
  H        15.8474346475       17.5108976446       13.2792241133
      14
 i =      157, E =     -1643.7395852644
 Fe        14.9431799850       15.1729563157       14.3596711648
  O        15.0583540202       16.9382471286       13.2986567609
  H        14.2641837993       17.4855238505       13.1546059848
  O        14.9442834799       13.1946515391       13.4210992694
  H        15.2830030126       12.4094918708       13.8922031449
  O        17.0523378632       15.1757978647       13.8847456445
  H        17.4980719160       14.6258382919       13.2141181850
  O        13.1661559112       15.0605755650       14.2311822987
  H        12.4486460222       15.1614879343       14.8795130447
  O        15.5279693531       15.1771555036       16.0865551237
  H        15.0222380986       15.2783933206       16.9119549822
  H        17.5351483636       15.0615605963       14.7271340293
  H        13.9825477179       13.0498229871       13.3028497193
  H        15.8474583950       17.5108690815       13.2792217039
      14
 i =      158, E =     -1643.7395854616
 Fe        14.9431845826       15.1729564513       14.3596722559
  O        15.0583547386       16.9382478190       13.2986569131
  H        14.2641918097       17.4855450461       13.1546439198
  O        14.9442835354       13.1946515436       13.4210990754
  H        15.2830061201       12.4094886165       13.8921952731
  O        17.0523376966       15.1757979681       13.8847452886
  H        17.4980686990       14.6258372196       13.2141167341
  O        13.1661563031       15.0605755469       14.2311819779
  H        12.4486237177       15.1614845323       14.8794852424
  O        15.5279699458       15.1771554537       16.0865548857
  H        15.0222277740       15.2783806698       16.9119524178
  H        17.5351494336       15.0615584122       14.7271327655
  H        13.9825483082       13.0498219485       13.3028490194
  H        15.8474688182       17.5108565089       13.2792207111
      14
 i =      159, E =     -1643.7395856862
 Fe        14.9431950580       15.1729561732       14.3596741926
  O        15.0583583575       16.9382517771       13.2986586487
  H        14.2642429693       17.4856806958       13.1548867509
  O        14.9442844643       13.1946515439       13.4210975124
  H        15.2830261433       12.4094675602       13.8921451447
  O        17.0523369976       15.1757989758       13.8847434417
  H        17.4980483874       14.6258298817       13.2141067222
  O        13.1661614462       15.0605752492       14.2311784558
  H        12.4484804892       15.1614630738       14.8793080845
  O        15.5279681998       15.1771558567       16.0865597676
  H        15.0221655313       15.2782989650       16.9119293313
  H        17.5351561216       15.0615445241       14.7271246894
  H        13.9825514959       13.0498155475       13.3028445657
  H        15.8475368735       17.5107767676       13.2792142251
      14
 i =      160, E =     -1643.7395855110
 Fe        14.9431824593       15.1729555276       14.3596700911
  O        15.0583609145       16.9382540779       13.2986614232
  H        14.2642647915       17.4857377520       13.1549888860
  O        14.9442847666       13.1946513007       13.4210964794
  H        15.2830343590       12.4094588654       13.8921243278
  O        17.0523362714       15.1757988042       13.8847423708
  H        17.4980397529       14.6258269766       13.2141027310
  O        13.1661638152       15.0605746020       14.2311735253
  H        12.4484196615       15.1614545640       14.8792343538
  O        15.5279660180       15.1771549744       16.0865606008
  H        15.0221389624       15.2782648820       16.9119210208
  H        17.5351590093       15.0615388156       14.7271214057
  H        13.9825530451       13.0498131459       13.3028428325
  H        15.8475652168       17.5107431552       13.2792120019
      14
 i =      161, E =     -1643.7395856691
 Fe        14.9431756552       15.1729553464       14.3596717824
  O        15.0583615462       16.9382535786       13.2986598644
  H        14.2642622660       17.4857334105       13.1549805934
  O        14.9442852903       13.1946513597       13.4210969677
  H        15.2830336462       12.4094596530       13.8921259600
  O        17.0523373977       15.1757989026       13.8847422835
  H        17.4980404077       14.6258272910       13.2141031612
  O        13.1661686007       15.0605748751       14.2311747169
  H        12.4484233432       15.1614552928       14.8792410020
  O        15.5279685666       15.1771557015       16.0865614735
  H        15.0221409291       15.2782675570       16.9119213584
  H        17.5351587611       15.0615392933       14.7271217019
  H        13.9825525386       13.0498132767       13.3028429044
  H        15.8475624397       17.5107455524       13.2792120135
      14
 i =      162, E =     -1643.7395859236
 Fe        14.9431968186       15.1729559096       14.3596764113
  O        15.0583627409       16.9382554093       13.2986609157
  H        14.2642867266       17.4857976092       13.1550955117
  O        14.9442854262       13.1946513970       13.4210960697
  H        15.2830429363       12.4094498842       13.8921028472
  O        17.0523366068       15.1757993458       13.8847414648
  H        17.4980309679       14.6258237986       13.2140985837
  O        13.1661665881       15.0605747193       14.2311736481
  H        12.4483562366       15.1614453932       14.8791556677
  O        15.5279672159       15.1771557032       16.0865625837
  H        15.0221113223       15.2782290483       16.9119107533
  H        17.5351617124       15.0615329096       14.7271179505
  H        13.9825541110       13.0498102849       13.3028407688
  H        15.8475948536       17.5107079014       13.2792095211
      14
 i =      163, E =     -1643.7395857525
 Fe        14.9431681407       15.1729544147       14.3596707831
  O        15.0583658559       16.9382575202       13.2986619122
  H        14.2643129202       17.4858682802       13.1552218735
  O        14.9442863867       13.1946512363       13.4210954582
  H        15.2830528860       12.4094393297       13.8920774312
  O        17.0523371629       15.1757993390       13.8847401201
  H        17.4980203683       14.6258202795       13.2140938349
  O        13.1661767376       15.0605742067       14.2311686210
  H        12.4482792213       15.1614353105       14.8790654776
  O        15.5279662510       15.1771558583       16.0865667443
  H        15.0220792308       15.2781867952       16.9118987088
  H        17.5351651757       15.0615260158       14.7271138969
  H        13.9825554757       13.0498074563       13.3028386193
  H        15.8476296507       17.5106662723       13.2792066665
      14
 i =      164, E =     -1643.7395857931
 Fe        14.9431832683       15.1729549305       14.3596706384
  O        15.0583669319       16.9382585542       13.2986626993
  H        14.2643243752       17.4858984088       13.1552755939
  O        14.9442864931       13.1946513052       13.4210950763
  H        15.2830571026       12.4094348785       13.8920667583
  O        17.0523367695       15.1757995075       13.8847397805
  H        17.4980159876       14.6258187104       13.2140919003
  O        13.1661755512       15.0605741121       14.2311679856
  H        12.4482472697       15.1614308295       14.8790255323
  O        15.5279665803       15.1771556559       16.0865661744
  H        15.0220647911       15.2781689533       16.9118946921
  H        17.5351664705       15.0615230709       14.7271120378
  H        13.9825562304       13.0498059761       13.3028375803
  H        15.8476445060       17.5106484699       13.2792056658
      14
 i =      165, E =     -1643.7395859983
 Fe        14.9431830617       15.1729536945       14.3596806675
  O        15.0583739137       16.9382656268       13.2986684069
  H        14.2644021973       17.4861024319       13.1556408971
  O        14.9442880370       13.1946512041       13.4210921712
  H        15.2830856392       12.4094045086       13.8919944298
  O        17.0523362740       15.1757998300       13.8847361684
  H        17.4979859682       14.6258084600       13.2140788272
  O        13.1661858554       15.0605729580       14.2311566919
  H        12.4480272583       15.1614015459       14.8787592993
  O        15.5279627391       15.1771548095       16.0865719934
  H        15.0219714041       15.2780472354       16.9118602901
  H        17.5351758756       15.0615032241       14.7271000274
  H        13.9825610668       13.0497970568       13.3028309893
  H        15.8477463615       17.5105287374       13.2791985570
      14
 i =      166, E =     -1643.7395862622
 Fe        14.9431824195       15.1729539125       14.3596747160
  O        15.0583749601       16.9382666639       13.2986694804
  H        14.2644161153       17.4861384137       13.1557051224
  O        14.9442884009       13.1946509817       13.4210915442
  H        15.2830904548       12.4093993825       13.8919819582
  O        17.0523355711       15.1758003781       13.8847357937
  H        17.4979810658       14.6258062252       13.2140761671
  O        13.1661848258       15.0605729615       14.2311553769
  H        12.4479900206       15.1613964668       14.8787106503
  O        15.5279618949       15.1771545781       16.0865728301
  H        15.0219549615       15.2780258984       16.9118548192
  H        17.5351776373       15.0614998081       14.7270981097
  H        13.9825619235       13.0497956152       13.3028298833
  H        15.8477644552       17.5105077561       13.2791976137
      14
 i =      167, E =     -1643.7395863407
 Fe        14.9431779427       15.1729532560       14.3596703384
  O        15.0583783825       16.9382688145       13.2986711313
  H        14.2644440906       17.4862133141       13.1558382947
  O        14.9442893214       13.1946509252       13.4210908034
  H        15.2831004714       12.4093886840       13.8919562659
  O        17.0523354820       15.1758006724       13.8847348128
  H        17.4979703905       14.6258022839       13.2140713846
  O        13.1661902051       15.0605725621       14.2311513050
  H        12.4479090049       15.1613864690       14.8786129786
  O        15.5279611128       15.1771544648       16.0865752458
  H        15.0219207224       15.2779817197       16.9118429379
  H        17.5351809522       15.0614928462       14.7270938314
  H        13.9825633430       13.0497926349       13.3028274924
  H        15.8478014379       17.5104638973       13.2791956464
      14
 i =      168, E =     -1643.7395866284
 Fe        14.9431799752       15.1729532516       14.3596729402
  O        15.0583791517       16.9382697945       13.2986712720
  H        14.2644560073       17.4862442255       13.1558936779
  O        14.9442894442       13.1946510075       13.4210906613
  H        15.2831045664       12.4093842850       13.8919456709
  O        17.0523353517       15.1758007355       13.8847344445
  H        17.4979659473       14.6258007494       13.2140695815
  O        13.1661920692       15.0605724613       14.2311505447
  H        12.4478752507       15.1613823569       14.8785721155
  O        15.5279615133       15.1771545678       16.0865754118
  H        15.0219060023       15.2779634592       16.9118387468
  H        17.5351823186       15.0614899850       14.7270920070
  H        13.9825640719       13.0497913963       13.3028265078
  H        15.8478167628       17.5104456727       13.2791947965
      14
 i =      169, E =     -1643.7395865258
 Fe        14.9431787929       15.1729529611       14.3596716187
  O        15.0583820634       16.9382721573       13.2986722396
  H        14.2644884563       17.4863303214       13.1560472505
  O        14.9442901292       13.1946511553       13.4210899823
  H        15.2831159857       12.4093719932       13.8919164888
  O        17.0523351412       15.1758011853       13.8847331587
  H        17.4979537613       14.6257962455       13.2140642354
  O        13.1661969145       15.0605722230       14.2311482408
  H        12.4477823204       15.1613709936       14.8784582403
  O        15.5279600080       15.1771550413       16.0865798714
  H        15.0218673128       15.2779124444       16.9118235209
  H        17.5351861516       15.0614820663       14.7270873277
  H        13.9825657959       13.0497880505       13.3028237474
  H        15.8478594976       17.5103952355       13.2791926318
      14
 i =      170, E =     -1643.7395864596
 Fe        14.9431784778       15.1729529783       14.3596705344
  O        15.0583816795       16.9382718726       13.2986724180
  H        14.2644840606       17.4863184160       13.1560260187
  O        14.9442900166       13.1946511037       13.4210900161
  H        15.2831144171       12.4093736758       13.8919204669
  O        17.0523351280       15.1758011094       13.8847332933
  H        17.4979554379       14.6257968614       13.2140649492
  O        13.1661960079       15.0605722884       14.2311486712
  H        12.4477954775       15.1613724914       14.8784737307
  O        15.5279600003       15.1771549306       16.0865797206
  H        15.0218728215       15.2779194385       16.9118253821
  H        17.5351856551       15.0614831382       14.7270879953
  H        13.9825656454       13.0497885051       13.3028241394
  H        15.8478536969       17.5104022681       13.2791929624
      14
 i =      171, E =     -1643.7395865362
 Fe        14.9431791711       15.1729525592       14.3596743123
  O        15.0583840450       16.9382741191       13.2986734718
  H        14.2645088144       17.4863835245       13.1561422690
  O        14.9442905188       13.1946510698       13.4210892809
  H        15.2831229804       12.4093644765       13.8918985906
  O        17.0523349423       15.1758014743       13.8847323242
  H        17.4979463268       14.6257933740       13.2140608738
  O        13.1661996699       15.0605719944       14.2311459077
  H        12.4477246917       15.1613641055       14.8783875856
  O        15.5279598756       15.1771547703       16.0865799287
  H        15.0218422789       15.2778811169       16.9118157896
  H        17.5351884684       15.0614772121       14.7270845453
  H        13.9825669868       13.0497860037       13.3028220601
  H        15.8478859966       17.5103640222       13.2791915910
      14
 i =      172, E =     -1643.7395869124
 Fe        14.9431776017       15.1729525066       14.3596723999
  O        15.0583852851       16.9382751680       13.2986740102
  H        14.2645231550       17.4864212266       13.1562095692
  O        14.9442908151       13.1946510820       13.4210889612
  H        15.2831278613       12.4093592023       13.8918859972
  O        17.0523348538       15.1758016527       13.8847317576
  H        17.4979410526       14.6257913878       13.2140586001
  O        13.1662018697       15.0605718746       14.2311445866
  H        12.4476838663       15.1613593065       14.8783374491
  O        15.5279594408       15.1771548680       16.0865816053
  H        15.0218251402       15.2778588682       16.9118095244
  H        17.5351901280       15.0614738116       14.7270825419
  H        13.9825677770       13.0497846191       13.3028208803
  H        15.8479047054       17.5103419246       13.2791908128
      14
 i =      173, E =     -1643.7395866082
 Fe        14.9431777110       15.1729522215       14.3596734081
  O        15.0583871946       16.9382767881       13.2986747356
  H        14.2645441795       17.4864768001       13.1563086789
  O        14.9442912422       13.1946510743       13.4210884158
  H        15.2831350406       12.4093514570       13.8918675693
  O        17.0523347637       15.1758019571       13.8847309371
  H        17.4979333304       14.6257884250       13.2140552274
  O        13.1662047554       15.0605716835       14.2311426747
  H        12.4476236329       15.1613523162       14.8782634977
  O        15.5279586206       15.1771550182       16.0865836477
  H        15.0217999037       15.2778261030       16.9118001161
  H        17.5351924897       15.0614688388       14.7270796224
  H        13.9825688970       13.0497825814       13.3028191308
  H        15.8479322731       17.5103093568       13.2791897416
      14
 i =      174, E =     -1643.7395867634
 Fe        14.9431767903       15.1729520433       14.3596723945
  O        15.0583888266       16.9382780889       13.2986755487
  H        14.2645598339       17.4865181104       13.1563823503
  O        14.9442916081       13.1946510587       13.4210879987
  H        15.2831403203       12.4093457463       13.8918539493
  O        17.0523347032       15.1758021278       13.8847303443
  H        17.4979275970       14.6257862437       13.2140527762
  O        13.1662071841       15.0605714603       14.2311406497
  H        12.4475784369       15.1613472508       14.8782087334
  O        15.5279581045       15.1771549755       16.0865850992
  H        15.0217810583       15.2778018049       16.9117932763
  H        17.5351942162       15.0614651714       14.7270774257
  H        13.9825697214       13.0497810811       13.3028178158
  H        15.8479527031       17.5102851355       13.2791890718
      14
 i =      175, E =     -1643.7395869048
 Fe        14.9431767619       15.1729518568       14.3596733479
  O        15.0583900916       16.9382792820       13.2986761656
  H        14.2645752277       17.4865585525       13.1564545196
  O        14.9442919329       13.1946510901       13.4210875980
  H        15.2831454662       12.4093401532       13.8918406915
  O        17.0523346501       15.1758023178       13.8847297924
  H        17.4979220099       14.6257840983       13.2140503915
  O        13.1662094218       15.0605712797       14.2311389959
  H        12.4475341469       15.1613423375       14.8781549072
  O        15.5279575070       15.1771550548       16.0865864312
  H        15.0217626689       15.2777779820       16.9117863894
  H        17.5351958765       15.0614616060       14.7270752624
  H        13.9825705089       13.0497796212       13.3028165316
  H        15.8479728373       17.5102614613       13.2791884007
      14
 i =      176, E =     -1643.7395869793
 Fe        14.9431754987       15.1729515657       14.3596719086
  O        15.0583924055       16.9382812914       13.2986772626
  H        14.2645999095       17.4866233760       13.1565701951
  O        14.9442923862       13.1946510848       13.4210869470
  H        15.2831536574       12.4093312506       13.8918195317
  O        17.0523344410       15.1758026553       13.8847287804
  H        17.4979130988       14.6257806375       13.2140465879
  O        13.1662127432       15.0605710444       14.2311365448
  H        12.4474635044       15.1613344975       14.8780681973
  O        15.5279569850       15.1771550323       16.0865883300
  H        15.0217328903       15.2777399110       16.9117759595
  H        17.5351986215       15.0614559031       14.7270719640
  H        13.9825718727       13.0497773439       13.3028144954
  H        15.8480049594       17.5102234459       13.2791874482
      14
 i =      177, E =     -1643.7395871970
 Fe        14.9431754967       15.1729514927       14.3596726016
  O        15.0583929902       16.9382817625       13.2986776547
  H        14.2646050395       17.4866368386       13.1565941927
  O        14.9442925319       13.1946510666       13.4210867812
  H        15.2831553381       12.4093294207       13.8918151741
  O        17.0523344083       15.1758027041       13.8847285974
  H        17.4979112585       14.6257799192       13.2140458089
  O        13.1662133850       15.0605709633       14.2311358112
  H        12.4474487104       15.1613329153       14.8780502221
  O        15.5279567593       15.1771549733       16.0865887294
  H        15.0217267505       15.2777320066       16.9117736947
  H        17.5351991608       15.0614547328       14.7270712533
  H        13.9825721262       13.0497768696       13.3028140625
  H        15.8480116256       17.5102155642       13.2791873166
      14
 i =      178, E =     -1643.7395871450
 Fe        14.9431751230       15.1729511515       14.3596736979
  O        15.0583953818       16.9382840153       13.2986790025
  H        14.2646332541       17.4867106229       13.1567258632
  O        14.9442931385       13.1946510791       13.4210860129
  H        15.2831645522       12.4093193694       13.8917913275
  O        17.0523342494       15.1758030662       13.8847275984
  H        17.4979011918       14.6257759557       13.2140415248
  O        13.1662173480       15.0605706438       14.2311326650
  H        12.4473677554       15.1613242347       14.8779514472
  O        15.5279557005       15.1771550077       16.0865911514
  H        15.0216931426       15.2776886444       16.9117612321
  H        17.5352021492       15.0614483363       14.7270674171
  H        13.9825735760       13.0497743126       13.3028117292
  H        15.8480483774       17.5101723850       13.2791864089
      14
 i =      179, E =     -1643.7395872569
 Fe        14.9431726566       15.1729506062       14.3596705376
  O        15.0583976165       16.9382862757       13.2986796152
  H        14.2646636888       17.4867896451       13.1568671563
  O        14.9442935350       13.1946512887       13.4210854672
  H        15.2831742633       12.4093086904       13.8917659174
  O        17.0523339103       15.1758034458       13.8847264484
  H        17.4978904669       14.6257717611       13.2140371133
  O        13.1662230962       15.0605704196       14.2311300681
  H        12.4472806917       15.1613151348       14.8778452587
  O        15.5279554435       15.1771553166       16.0865933444
  H        15.0216567142       15.2776423004       16.9117487307
  H        17.5352054104       15.0614415567       14.7270634159
  H        13.9825753381       13.0497716318       13.3028092854
  H        15.8480876293       17.5101260649       13.2791853746
      14
 i =      180, E =     -1643.7395872505
 Fe        14.9431734069       15.1729507085       14.3596712082
  O        15.0583983939       16.9382866078       13.2986801911
  H        14.2646664328       17.4867975234       13.1568808028
  O        14.9442937664       13.1946511611       13.4210853010
  H        15.2831752024       12.4093076800       13.8917634903
  O        17.0523340548       15.1758034388       13.8847264026
  H        17.4978893725       14.6257713641       13.2140366963
  O        13.1662229007       15.0605703059       14.2311293951
  H        12.4472718949       15.1613142913       14.8778349089
  O        15.5279551863       15.1771552029       16.0865938303
  H        15.0216532359       15.2776376979       16.9117471704
  H        17.5352056701       15.0614409016       14.7270629167
  H        13.9825753718       13.0497713803       13.3028090015
  H        15.8480913950       17.5101214321       13.2791855068
      14
 i =      181, E =     -1643.7395874690
 Fe        14.9431740981       15.1729504831       14.3596745319
  O        15.0584005589       16.9382885584       13.2986814015
  H        14.2646893083       17.4868573281       13.1569873191
  O        14.9442942785       13.1946511498       13.4210846036
  H        15.2831824769       12.4092996935       13.8917445834
  O        17.0523338335       15.1758037775       13.8847255083
  H        17.4978813722       14.6257681079       13.2140333123
  O        13.1662252675       15.0605700888       14.2311270837
  H        12.4472063212       15.1613075514       14.8777540890
  O        15.5279540535       15.1771552058       16.0865955642
  H        15.0216261114       15.2776026432       16.9117368354
  H        17.5352080386       15.0614358434       14.7270599675
  H        13.9825765022       13.0497693812       13.3028071028
  H        15.8481210577       17.5100863853       13.2791850809
      14
 i =      182, E =     -1643.7395874286
 Fe        14.9431714283       15.1729502239       14.3596747010
  O        15.0584025854       16.9382902917       13.2986825424
  H        14.2647112990       17.4869146045       13.1570894395
  O        14.9442947056       13.1946511321       13.4210840333
  H        15.2831893609       12.4092921057       13.8917265614
  O        17.0523336585       15.1758040787       13.8847246763
  H        17.4978737148       14.6257649943       13.2140301301
  O        13.1662284567       15.0605698656       14.2311246624
  H        12.4471432682       15.1613012377       14.8776766304
  O        15.5279537517       15.1771551190       16.0865973445
  H        15.0215997333       15.2775691832       16.9117277634
  H        17.5352103544       15.0614310358       14.7270571754
  H        13.9825776766       13.0497675741       13.3028053255
  H        15.8481494695       17.5100528303       13.2791847292
      14
 i =      183, E =     -1643.7395874985
 Fe        14.9431726152       15.1729498718       14.3596706425
  O        15.0584041603       16.9382921066       13.2986835568
  H        14.2647344436       17.4869740436       13.1571956103
  O        14.9442949832       13.1946512314       13.4210835037
  H        15.2831964388       12.4092842472       13.8917079597
  O        17.0523335021       15.1758042820       13.8847239213
  H        17.4978657309       14.6257618572       13.2140270034
  O        13.1662322052       15.0605695816       14.2311220290
  H        12.4470769334       15.1612948681       14.8775963816
  O        15.5279534450       15.1771552042       16.0865993612
  H        15.0215723470       15.2775344145       16.9117183320
  H        17.5352126712       15.0614261061       14.7270541196
  H        13.9825790170       13.0497656827       13.3028034830
  H        15.8481791381       17.5100179765       13.2791843114
      14
 i =      184, E =     -1643.7395874589
 Fe        14.9431731733       15.1729499880       14.3596755002
  O        15.0584042773       16.9382917784       13.2986837211
  H        14.2647304688       17.4869644679       13.1571782473
  O        14.9442950591       13.1946511414       13.4210834866
  H        15.2831953243       12.4092855193       13.8917109960
  O        17.0523334563       15.1758043645       13.8847239845
  H        17.4978670723       14.6257622486       13.2140273686
  O        13.1662305968       15.0605696586       14.2311225304
  H        12.4470883466       15.1612958047       14.8776089405
  O        15.5279530318       15.1771550585       16.0865993352
  H        15.0215770405       15.2775400055       16.9117193813
  H        17.5352123136       15.0614268729       14.7270547544
  H        13.9825787092       13.0497660026       13.3028037579
  H        15.8481743579       17.5100236956       13.2791846190
      14
 i =      185, E =     -1643.7395876474
 Fe        14.9431708285       15.1729498001       14.3596754250
  O        15.0584054863       16.9382929760       13.2986844722
  H        14.2647435328       17.4869979325       13.1572380455
  O        14.9442953478       13.1946511514       13.4210831456
  H        15.2831992870       12.4092811096       13.8917005906
  O        17.0523334361       15.1758044634       13.8847235288
  H        17.4978625845       14.6257604663       13.2140256175
  O        13.1662330108       15.0605695016       14.2311208768
  H        12.4470509763       15.1612922662       14.8775635609
  O        15.5279530448       15.1771549794       16.0866002910
  H        15.0215614312       15.2775204467       16.9117143360
  H        17.5352136382       15.0614241091       14.7270530810
  H        13.9825793989       13.0497649938       13.3028027224
  H        15.8481909460       17.5100039957       13.2791845475
      14
 i =      186, E =     -1643.7395875899
 Fe        14.9431710734       15.1729496710       14.3596751883
  O        15.0584068603       16.9382941509       13.2986852148
  H        14.2647586112       17.4870368073       13.1573073169
  O        14.9442956482       13.1946512075       13.4210828606
  H        15.2832038169       12.4092760651       13.8916885431
  O        17.0523332451       15.1758045974       13.8847230640
  H        17.4978574009       14.6257584167       13.2140236633
  O        13.1662352123       15.0605693481       14.2311193129
  H        12.4470077237       15.1612881725       14.8775107073
  O        15.5279531311       15.1771549561       16.0866012334
  H        15.0215432647       15.2774978014       16.9117086857
  H        17.5352151885       15.0614209115       14.7270510986
  H        13.9825802200       13.0497638162       13.3028015219
  H        15.8482101486       17.5099811424       13.2791844538
      14
 i =      187, E =     -1643.7395875797
 Fe        14.9431707054       15.1729495081       14.3596750802
  O        15.0584082664       16.9382951205       13.2986859391
  H        14.2647716563       17.4870711183       13.1573682698
  O        14.9442959878       13.1946512153       13.4210824911
  H        15.2832078253       12.4092715989       13.8916780366
  O        17.0523332097       15.1758047715       13.8847225548
  H        17.4978528777       14.6257565479       13.2140218324
  O        13.1662368233       15.0605691930       14.2311177893
  H        12.4469697848       15.1612846238       14.8774640728
  O        15.5279521257       15.1771549965       16.0866031814
  H        15.0215280538       15.2774777471       16.9117022976
  H        17.5352164932       15.0614181227       14.7270494645
  H        13.9825808263       13.0497627873       13.3028004364
  H        15.8482271759       17.5099611296       13.2791844925
      14
 i =      188, E =     -1643.7395878177
 Fe        14.9431696814       15.1729489971       14.3596725901
  O        15.0584115372       16.9382982362       13.2986878154
  H        14.2648099226       17.4871697509       13.1575440490
  O        14.9442966906       13.1946512759       13.4210816009
  H        15.2832192366       12.4092588713       13.8916477884
  O        17.0523329546       15.1758051940       13.8847213493
  H        17.4978398548       14.6257512310       13.2140167678
  O        13.1662424867       15.0605687030       14.2311131283
  H        12.4468594089       15.1612745850       14.8773299817
  O        15.5279514623       15.1771548969       16.0866057805
  H        15.0214824535       15.2774202721       16.9116869201
  H        17.5352202356       15.0614101295       14.7270445356
  H        13.9825828412       13.0497598315       13.3027973427
  H        15.8482762034       17.5099033207       13.2791845348
      14
 i =      189, E =     -1643.7395877989
 Fe        14.9431689720       15.1729487340       14.3596741922
  O        15.0584138720       16.9383000155       13.2986888961
  H        14.2648320969       17.4872276811       13.1576468535
  O        14.9442972600       13.1946512771       13.4210810002
  H        15.2832258272       12.4092514880       13.8916303303
  O        17.0523327854       15.1758055242       13.8847204972
  H        17.4978323371       14.6257480496       13.2140137969
  O        13.1662449487       15.0605685575       14.2311113494
  H        12.4467952960       15.1612688039       14.8772503198
  O        15.5279502221       15.1771550337       16.0866079625
  H        15.0214563352       15.2773864826       16.9116767260
  H        17.5352224115       15.0614055156       14.7270418391
  H        13.9825838701       13.0497581515       13.3027955164
  H        15.8483048877       17.5098694355       13.2791847850
      14
 i =      190, E =     -1643.7395879389
 Fe        14.9431680153       15.1729484691       14.3596718481
  O        15.0584159038       16.9383018571       13.2986898183
  H        14.2648556093       17.4872883646       13.1577548029
  O        14.9442976305       13.1946513113       13.4210804454
  H        15.2832326707       12.4092437958       13.8916121228
  O        17.0523326070       15.1758058697       13.8847196774
  H        17.4978244773       14.6257446990       13.2140107336
  O        13.1662485820       15.0605683002       14.2311087248
  H        12.4467272397       15.1612629429       14.8771670893
  O        15.5279497164       15.1771550337       16.0866096461
  H        15.0214283864       15.2773511698       16.9116669956
  H        17.5352246778       15.0614007166       14.7270390057
  H        13.9825851202       13.0497564468       13.3027936137
  H        15.8483350776       17.5098339532       13.2791852229
      14
 i =      191, E =     -1643.7395879008
 Fe        14.9431677189       15.1729481467       14.3596762761
  O        15.0584182048       16.9383038756       13.2986914407
  H        14.2648780728       17.4873463197       13.1578578008
  O        14.9442981774       13.1946512747       13.4210797511
  H        15.2832391578       12.4092364854       13.8915949019
  O        17.0523324427       15.1758061418       13.8847188854
  H        17.4978170339       14.6257414814       13.2140077898
  O        13.1662511931       15.0605680293       14.2311059686
  H        12.4466624446       15.1612574557       14.8770872574
  O        15.5279487174       15.1771548481       16.0866111206
  H        15.0214019047       15.2773174810       16.9116572343
  H        17.5352267710       15.0613961902       14.7270363419
  H        13.9825861731       13.0497548373       13.3027917860
  H        15.8483639348       17.5098000503       13.2791856655
      14
 i =      192, E =     -1643.7395882711
 Fe        14.9431666505       15.1729480242       14.3596753777
  O        15.0584192356       16.9383049527       13.2986921531
  H        14.2648928368       17.4873841067       13.1579249933
  O        14.9442984530       13.1946512837       13.4210794046
  H        15.2832433452       12.4092317443       13.8915837413
  O        17.0523323148       15.1758064089       13.8847184154
  H        17.4978122185       14.6257393254       13.2140058347
  O        13.1662532133       15.0605679400       14.2311047190
  H        12.4466203087       15.1612539112       14.8770348064
  O        15.5279482177       15.1771549427       16.0866128072
  H        15.0213847512       15.2772954742       16.9116507370
  H        17.5352281708       15.0613932641       14.7270346516
  H        13.9825869112       13.0497538574       13.3027906116
  H        15.8483829233       17.5097779600       13.2791859284
      14
 i =      193, E =     -1643.7395878683
 Fe        14.9431662774       15.1729478293       14.3596755102
  O        15.0584211720       16.9383065532       13.2986930330
  H        14.2649128101       17.4874357827       13.1580167219
  O        14.9442988664       13.1946512790       13.4210788948
  H        15.2832490565       12.4092252605       13.8915686173
  O        17.0523322024       15.1758067345       13.8847176926
  H        17.4978056129       14.6257364164       13.2140032396
  O        13.1662558627       15.0605677846       14.2311030348
  H        12.4465626885       15.1612491428       14.8769630535
  O        15.5279480264       15.1771549690       16.0866144344
  H        15.0213608809       15.2772655105       16.9116425309
  H        17.5352301056       15.0613892837       14.7270324140
  H        13.9825878614       13.0497525800       13.3027890213
  H        15.8484085813       17.5097476127       13.2791863868
      14
 i =      194, E =     -1643.7395882744
 Fe        14.9431659371       15.1729476234       14.3596758586
  O        15.0584227283       16.9383077699       13.2986936745
  H        14.2649289000       17.4874773432       13.1580904826
  O        14.9442991910       13.1946513597       13.4210785723
  H        15.2832535689       12.4092201088       13.8915564995
  O        17.0523321610       15.1758068867       13.8847171535
  H        17.4978002766       14.6257341562       13.2140013088
  O        13.1662587587       15.0605675384       14.2311009217
  H        12.4465154588       15.1612454923       14.8769058909
  O        15.5279476476       15.1771550202       16.0866158412
  H        15.0213418285       15.2772414110       16.9116357489
  H        17.5352315758       15.0613861194       14.7270304867
  H        13.9825886221       13.0497515224       13.3027877302
  H        15.8484291393       17.5097232280       13.2791868103
      14
 i =      195, E =     -1643.7395883112
 Fe        14.9431650765       15.1729473772       14.3596753613
  O        15.0584243406       16.9383093024       13.2986943800
  H        14.2649490823       17.4875289782       13.1581822907
  O        14.9442995616       13.1946514015       13.4210781871
  H        15.2832591371       12.4092137398       13.8915414839
  O        17.0523319983       15.1758071847       13.8847165460
  H        17.4977937177       14.6257312630       13.2139988369
  O        13.1662616423       15.0605673821       14.2310993013
  H        12.4464573864       15.1612409126       14.8768338687
  O        15.5279474088       15.1771551331       16.0866175233
  H        15.0213179682       15.2772114432       16.9116275451
  H        17.5352334561       15.0613822050       14.7270281658
  H        13.9825896208       13.0497502729       13.3027861495
  H        15.8484548360       17.5096929134       13.2791873279
      14
 i =      196, E =     -1643.7395880586
 Fe        14.9431673330       15.1729487195       14.3596714699
  O        15.0584146286       16.9383012726       13.2986904949
  H        14.2648429081       17.4872555438       13.1576971527
  O        14.9442975327       13.1946511001       13.4210803116
  H        15.2832299703       12.4092472490       13.8916203086
  O        17.0523327302       15.1758057638       13.8847199163
  H        17.4978283259       14.6257464618       13.2140115858
  O        13.1662448206       15.0605684571       14.2311095190
  H        12.4467663604       15.1612644308       14.8772142682
  O        15.5279496010       15.1771544198       16.0866083415
  H        15.0214436789       15.2773698450       16.9116717743
  H        17.5352236424       15.0614026939       14.7270403569
  H        13.9825844524       13.0497567524       13.3027944834
  H        15.8483193424       17.5098535312       13.2791844256
      14
 i =      197, E =     -1643.7395880147
 Fe        14.9431688025       15.1729483771       14.3596742631
  O        15.0584167724       16.9383026511       13.2986910393
  H        14.2648593531       17.4872988179       13.1577737416
  O        14.9442978338       13.1946511156       13.4210799503
  H        15.2832347948       12.4092418509       13.8916074408
  O        17.0523326693       15.1758059154       13.8847192867
  H        17.4978227094       14.6257441444       13.2140095191
  O        13.1662477776       15.0605681917       14.2311073178
  H        12.4467175214       15.1612603742       14.8771554176
  O        15.5279491002       15.1771544886       16.0866091665
  H        15.0214238414       15.2773447571       16.9116647133
  H        17.5352251711       15.0613993003       14.7270383108
  H        13.9825852776       13.0497555360       13.3027931180
  H        15.8483404527       17.5098281023       13.2791848451
      14
 i =      198, E =     -1643.7395882538
 Fe        14.9431661975       15.1729481946       14.3596711662
  O        15.0584181973       16.9383042328       13.2986915072
  H        14.2648816706       17.4873558085       13.1578753684
  O        14.9442981963       13.1946511752       13.4210795584
  H        15.2832411424       12.4092346834       13.8915904714
  O        17.0523324885       15.1758062575       13.8847186054
  H        17.4978153794       14.6257409698       13.2140066646
  O        13.1662513731       15.0605680684       14.2311057419
  H        12.4466539083       15.1612549359       14.8770764710
  O        15.5279488556       15.1771547116       16.0866111087
  H        15.0213975666       15.2773115876       16.9116555714
  H        17.5352273090       15.0613948387       14.7270356741
  H        13.9825864221       13.0497540509       13.3027913734
  H        15.8483689430       17.5097947342       13.2791851867
      14
 i =      199, E =     -1643.7395879127
 Fe        14.9431671379       15.1729477576       14.3596757440
  O        15.0584197641       16.9383057239       13.2986919048
  H        14.2649017150       17.4874077153       13.1579676024
  O        14.9442986191       13.1946512327       13.4210791008
  H        15.2832468982       12.4092281593       13.8915752323
  O        17.0523323958       15.1758066226       13.8847179662
  H        17.4978087980       14.6257380248       13.2140039888
  O        13.1662546785       15.0605679527       14.2311046547
  H        12.4465959534       15.1612501177       14.8770044849
  O        15.5279478496       15.1771551598       16.0866131456
  H        15.0213742250       15.2772813171       16.9116460299
  H        17.5352291438       15.0613908539       14.7270333690
  H        13.9825873207       13.0497526999       13.3027897730
  H        15.8483948623       17.5097643359       13.2791854604
      14
 i =      200, E =     -1643.7395883190
 Fe        14.9431662613       15.1729477823       14.3596746577
  O        15.0584218569       16.9383069569       13.2986925980
  H        14.2649173504       17.4874487322       13.1580401849
  O        14.9442989233       13.1946512579       13.4210787576
  H        15.2832513331       12.4092231104       13.8915632527
  O        17.0523323129       15.1758067559       13.8847173485
  H        17.4978035277       14.6257358239       13.2140021192
  O        13.1662573738       15.0605676959       14.2311022649
  H        12.4465495815       15.1612464935       14.8769483408
  O        15.5279477071       15.1771551166       16.0866141121
  H        15.0213552727       15.2772576581       16.9116397869
  H        17.5352306160       15.0613877165       14.7270314805
  H        13.9825881206       13.0497516567       13.3027885186
  H        15.8484148012       17.5097401952       13.2791858816
      14
 i =      201, E =     -1643.7395883137
 Fe        14.9431657959       15.1729474742       14.3596710169
  O        15.0584235735       16.9383085295       13.2986936073
  H        14.2649372876       17.4874997502       13.1581308602
  O        14.9442993538       13.1946512855       13.4210783230
  H        15.2832568409       12.4092168305       13.8915483811
  O        17.0523321945       15.1758069854       13.8847167400
  H        17.4977970127       14.6257330096       13.2139997319
  O        13.1662600626       15.0605674562       14.2311000688
  H        12.4464918879       15.1612419718       14.8768775427
  O        15.5279473083       15.1771551074       16.0866158550
  H        15.0213317965       15.2772280106       16.9116314589
  H        17.5352324132       15.0613838265       14.7270290951
  H        13.9825890900       13.0497503547       13.3027869246
  H        15.8484401967       17.5097103258       13.2791865486
      14
 i =      202, E =     -1643.7395882177
 Fe        14.9431654632       15.1729472125       14.3596737436
  O        15.0584254096       16.9383103980       13.2986947322
  H        14.2649577468       17.4875516209       13.1582230544
  O        14.9442996694       13.1946513259       13.4210777916
  H        15.2832623926       12.4092104803       13.8915333687
  O        17.0523320401       15.1758071469       13.8847160685
  H        17.4977904103       14.6257302010       13.2139974250
  O        13.1662630251       15.0605671480       14.2310973013
  H        12.4464326083       15.1612375252       14.8768057708
  O        15.5279470623       15.1771549957       16.0866165706
  H        15.0213075876       15.2771979442       16.9116235302
  H        17.5352342150       15.0613799036       14.7270266572
  H        13.9825901604       13.0497490163       13.3027853086
  H        15.8484658824       17.5096798170       13.2791872442
      14
 i =      203, E =     -1643.7395882420
 Fe        14.9431645236       15.1729471165       14.3596730975
  O        15.0584267548       16.9383113545       13.2986955573
  H        14.2649719357       17.4875882845       13.1582880051
  O        14.9443001075       13.1946513676       13.4210774122
  H        15.2832663138       12.4092059731       13.8915228946
  O        17.0523318638       15.1758074638       13.8847156096
  H        17.4977858779       14.6257280452       13.2139955738
  O        13.1662643952       15.0605670706       14.2310961943
  H        12.4463917156       15.1612343468       14.8767543055
  O        15.5279460378       15.1771550784       16.0866186471
  H        15.0212913178       15.2771766201       16.9116165701
  H        17.5352355194       15.0613771583       14.7270251295
  H        13.9825906999       13.0497481389       13.3027841572
  H        15.8484841983       17.5096584538       13.2791877807
      14
 i =      204, E =     -1643.7395885868
 Fe        14.9431643886       15.1729466926       14.3596731887
  O        15.0584293277       16.9383136368       13.2986968830
  H        14.2650013357       17.4876633995       13.1584212528
  O        14.9443005701       13.1946514845       13.4210767836
  H        15.2832742296       12.4091968676       13.8915014336
  O        17.0523317159       15.1758077467       13.8847146628
  H        17.4977763997       14.6257239242       13.2139922359
  O        13.1662690979       15.0605666642       14.2310925679
  H        12.4463058214       15.1612281526       14.8766500071
  O        15.5279455416       15.1771551024       16.0866203788
  H        15.0212566185       15.2771331257       16.9116045445
  H        17.5352380655       15.0613715863       14.7270216969
  H        13.9825921556       13.0497463164       13.3027818146
  H        15.8485214900       17.5096143909       13.2791888638
      14
 i =      205, E =     -1643.7395881492
 Fe        14.9431645933       15.1729467457       14.3596736189
  O        15.0584284270       16.9383128050       13.2986967283
  H        14.2649901511       17.4876351421       13.1583710873
  O        14.9443004615       13.1946513440       13.4210768693
  H        15.2832713432       12.4092002044       13.8915094859
  O        17.0523318293       15.1758077217       13.8847149883
  H        17.4977799830       14.6257253635       13.2139932749
  O        13.1662670544       15.0605668491       14.2310939521
  H        12.4463387652       15.1612303601       14.8766890082
  O        15.5279453523       15.1771549852       16.0866198295
  H        15.0212698458       15.2771494424       16.9116085743
  H        17.5352371167       15.0613736548       14.7270231157
  H        13.9825915599       13.0497470451       13.3027826990
  H        15.8485077095       17.5096311128       13.2791885445
      14
 i =      206, E =     -1643.7395887449
 Fe        14.9431637084       15.1729467226       14.3596726388
  O        15.0584299720       16.9383141528       13.2986975919
  H        14.2650053272       17.4876738421       13.1584396618
  O        14.9443007553       13.1946513583       13.4210765422
  H        15.2832753740       12.4091955442       13.8914984864
  O        17.0523317880       15.1758078383       13.8847144468
  H        17.4977751018       14.6257232437       13.2139915821
  O        13.1662691180       15.0605666565       14.2310921368
  H        12.4462946352       15.1612272108       14.8766349581
  O        15.5279449237       15.1771549506       16.0866210294
  H        15.0212520993       15.2771270169       16.9116021159
  H        17.5352384296       15.0613708018       14.7270213895
  H        13.9825922921       13.0497461211       13.3027814807
  H        15.8485268241       17.5096083373       13.2791892276
      14
 i =      207, E =     -1643.7395885408
 Fe        14.9431636178       15.1729464302       14.3596738360
  O        15.0584316393       16.9383156795       13.2986983432
  H        14.2650254624       17.4877251324       13.1585305122
  O        14.9443010785       13.1946514790       13.4210762066
  H        15.2832806606       12.4091894136       13.8914839693
  O        17.0523316305       15.1758080525       13.8847138457
  H        17.4977686925       14.6257204156       13.2139893771
  O        13.1662721436       15.0605664081       14.2310898719
  H        12.4462358630       15.1612231283       14.8765633879
  O        15.5279445750       15.1771550122       16.0866221190
  H        15.0212284109       15.2770973572       16.9115938755
  H        17.5352401399       15.0613670484       14.7270190530
  H        13.9825932691       13.0497448844       13.3027798663
  H        15.8485522497       17.5095782447       13.2791900985
      14
 i =      208, E =     -1643.7395886998
 Fe        14.9431624230       15.1729463109       14.3596725195
  O        15.0584329567       16.9383166563       13.2986989639
  H        14.2650385909       17.4877589593       13.1585903438
  O        14.9443013559       13.1946514583       13.4210758707
  H        15.2832841528       12.4091853637       13.8914745122
  O        17.0523314786       15.1758083231       13.8847133443
  H        17.4977645387       14.6257184488       13.2139877965
  O        13.1662733737       15.0605663670       14.2310891038
  H        12.4461980207       15.1612203881       14.8765153455
  O        15.5279442009       15.1771550430       16.0866234812
  H        15.0212129754       15.2770777875       16.9115881334
  H        17.5352413488       15.0613645800       14.7270177331
  H        13.9825938814       13.0497441691       13.3027788261
  H        15.8485690742       17.5095584518       13.2791907513
      14
 i =      209, E =     -1643.7395886418
 Fe        14.9431620818       15.1729460051       14.3596735285
  O        15.0584344970       16.9383181951       13.2986995635
  H        14.2650587817       17.4878100565       13.1586809854
  O        14.9443016964       13.1946515690       13.4210755521
  H        15.2832893397       12.4091793053       13.8914601890
  O        17.0523312890       15.1758085611       13.8847128354
  H        17.4977582049       14.6257155931       13.2139856198
  O        13.1662770000       15.0605661438       14.2310870810
  H        12.4461392506       15.1612164609       14.8764435198
  O        15.5279443121       15.1771551457       16.0866243694
  H        15.0211890239       15.2770482499       16.9115804193
  H        17.5352430708       15.0613608966       14.7270154382
  H        13.9825948632       13.0497430519       13.3027772594
  H        15.8485944638       17.5095284178       13.2791916705
      14
 i =      210, E =     -1643.7395887015
 Fe        14.9431617636       15.1729459318       14.3596729333
  O        15.0584361612       16.9383192408       13.2987004491
  H        14.2650719967       17.4878443786       13.1587414715
  O        14.9443020333       13.1946515618       13.4210751495
  H        15.2832928283       12.4091752351       13.8914507430
  O        17.0523312353       15.1758087639       13.8847122964
  H        17.4977539932       14.6257136332       13.2139840984
  O        13.1662783352       15.0605659923       14.2310854970
  H        12.4461003033       15.1612138613       14.8763951274
  O        15.5279432826       15.1771551484       16.0866263446
  H        15.0211738146       15.2770283841       16.9115738859
  H        17.5352442074       15.0613584411       14.7270140675
  H        13.9825954206       13.0497423228       13.3027761783
  H        15.8486114370       17.5095083376       13.2791924721
      14
 i =      211, E =     -1643.7395888686
 Fe        14.9431608301       15.1729455693       14.3596730081
  O        15.0584377801       16.9383210320       13.2987013127
  H        14.2650944807       17.4879008426       13.1588416570
  O        14.9443024197       13.1946516404       13.4210747634
  H        15.2832984661       12.4091686098       13.8914350788
  O        17.0523311009       15.1758089967       13.8847117914
  H        17.4977470165       14.6257104736       13.2139817626
  O        13.1662822314       15.0605657030       14.2310829453
  H        12.4460348498       15.1612097241       14.8763154758
  O        15.5279434435       15.1771551683       16.0866273215
  H        15.0211472466       15.2769957445       16.9115654465
  H        17.5352460456       15.0613544322       14.7270114819
  H        13.9825965123       13.0497411389       13.3027744331
  H        15.8486396123       17.5094751604       13.2791936468
      14
 i =      212, E =     -1643.7395889921
 Fe        14.9431603977       15.1729453336       14.3596729932
  O        15.0584395510       16.9383226356       13.2987022077
  H        14.2651155110       17.4879541390       13.1589359056
  O        14.9443027971       13.1946517059       13.4210743341
  H        15.2833037461       12.4091623853       13.8914204653
  O        17.0523309569       15.1758092898       13.8847111756
  H        17.4977405177       14.6257074462       13.2139795204
  O        13.1662853841       15.0605654902       14.2310809170
  H        12.4459734272       15.1612059074       14.8762400436
  O        15.5279425380       15.1771553921       16.0866297384
  H        15.0211230840       15.2769648895       16.9115560563
  H        17.5352477679       15.0613506993       14.7270091846
  H        13.9825975036       13.0497400274       13.3027727746
  H        15.8486661745       17.5094438883       13.2791947243
      14
 i =      213, E =     -1643.7395891574
 Fe        14.9431601651       15.1729452706       14.3596733967
  O        15.0584414297       16.9383235436       13.2987028281
  H        14.2651288968       17.4879894302       13.1589978325
  O        14.9443031915       13.1946517473       13.4210739771
  H        15.2833072242       12.4091582685       13.8914109776
  O        17.0523308680       15.1758095555       13.8847105879
  H        17.4977362548       14.6257054025       13.2139780217
  O        13.1662865863       15.0605653971       14.2310798619
  H        12.4459334792       15.1612033860       14.8761897359
  O        15.5279417058       15.1771554393       16.0866313488
  H        15.0211072852       15.2769445455       16.9115495622
  H        17.5352489330       15.0613482334       14.7270078648
  H        13.9825980023       13.0497393451       13.3027716630
  H        15.8486835309       17.5094232756       13.2791957045
      14
 i =      214, E =     -1643.7395889723
 Fe        14.9431589720       15.1729449379       14.3596729098
  O        15.0584433237       16.9383252578       13.2987036395
  H        14.2651510547       17.4880457585       13.1590974496
  O        14.9443035780       13.1946517776       13.4210734178
  H        15.2833127734       12.4091517044       13.8913957895
  O        17.0523307553       15.1758099720       13.8847097990
  H        17.4977294374       14.6257020897       13.2139756123
  O        13.1662896654       15.0605651750       14.2310776181
  H        12.4458685621       15.1611994882       14.8761092167
  O        15.5279412303       15.1771554324       16.0866328956
  H        15.0210812414       15.2769119530       16.9115401839
  H        17.5352507600       15.0613443069       14.7270056900
  H        13.9825990114       13.0497382965       13.3027698989
  H        15.8487117500       17.5093903274       13.2791973466
      14
 i =      215, E =     -1643.7395891680
 Fe        14.9431588478       15.1729447677       14.3596733766
  O        15.0584443547       16.9383264359       13.2987044191
  H        14.2651641784       17.4880785010       13.1591554656
  O        14.9443038502       13.1946517710       13.4210731345
  H        15.2833159328       12.4091479499       13.8913869625
  O        17.0523307684       15.1758101013       13.8847095590
  H        17.4977254668       14.6257001974       13.2139742688
  O        13.1662918866       15.0605649663       14.2310757386
  H        12.4458301441       15.1611973619       14.8760626498
  O        15.5279409149       15.1771553853       16.0866337003
  H        15.0210660470       15.2768930087       16.9115347523
  H        17.5352517047       15.0613420773       14.7270042116
  H        13.9825995887       13.0497376736       13.3027688686
  H        15.8487281686       17.5093710734       13.2791982166
      14
 i =      216, E =     -1643.7395891627
 Fe        14.9431582688       15.1729445684       14.3596728226
  O        15.0584460856       16.9383280165       13.2987055306
  H        14.2651836192       17.4881274494       13.1592418685
  O        14.9443042093       13.1946517847       13.4210727268
  H        15.2833206084       12.4091423707       13.8913738623
  O        17.0523306712       15.1758103244       13.8847090139
  H        17.4977195605       14.6256973811       13.2139723122
  O        13.1662947275       15.0605647329       14.2310734714
  H        12.4457731824       15.1611941976       14.8759927494
  O        15.5279404598       15.1771553837       16.0866350946
  H        15.0210434231       15.2768647570       16.9115266481
  H        17.5352532055       15.0613387519       14.7270021517
  H        13.9826004873       13.0497367678       13.3027673373
  H        15.8487525859       17.5093423018       13.2791995370
      14
 i =      217, E =     -1643.7395891364
 Fe        14.9431583005       15.1729444817       14.3596730235
  O        15.0584472431       16.9383288971       13.2987058386
  H        14.2651950510       17.4881564364       13.1592929446
  O        14.9443043967       13.1946518841       13.4210725681
  H        15.2833233343       12.4091390743       13.8913661634
  O        17.0523305681       15.1758104322       13.8847086245
  H        17.4977160474       14.6256957717       13.2139712793
  O        13.1662963729       15.0605645865       14.2310724224
  H        12.4457392925       15.1611923822       14.8759513031
  O        15.5279405672       15.1771554423       16.0866356648
  H        15.0210298000       15.2768480840       16.9115223010
  H        17.5352541438       15.0613367869       14.7270009596
  H        13.9826010067       13.0497362260       13.3027664296
  H        15.8487667929       17.5093251857       13.2792003436
      14
 i =      218, E =     -1643.7395894805
 Fe        14.9431582643       15.1729445197       14.3596735069
  O        15.0584475906       16.9383288702       13.2987061697
  H        14.2651947384       17.4881563033       13.1592924926
  O        14.9443045261       13.1946518325       13.4210724246
  H        15.2833233683       12.4091390487       13.8913662875
  O        17.0523305598       15.1758105142       13.8847085047
  H        17.4977161129       14.6256956976       13.2139711456
  O        13.1662955215       15.0605646366       14.2310725047
  H        12.4457401834       15.1611923258       14.8759511631
  O        15.5279398965       15.1771553688       16.0866361664
  H        15.0210303456       15.2768481286       16.9115214711
  H        17.5352541528       15.0613367880       14.7270011414
  H        13.9826008746       13.0497362646       13.3027664178
  H        15.8487667818       17.5093253722       13.2792004712
      14
 i =      219, E =     -1643.7395892596
 Fe        14.9431571508       15.1729442453       14.3596727882
  O        15.0584492231       16.9383303411       13.2987072226
  H        14.2652129518       17.4882020968       13.1593733432
  O        14.9443048367       13.1946518414       13.4210719701
  H        15.2833277139       12.4091338350       13.8913542001
  O        17.0523304577       15.1758107831       13.8847079401
  H        17.4977106314       14.6256929972       13.2139693011
  O        13.1662979468       15.0605644137       14.2310702088
  H        12.4456868270       15.1611894723       14.8758852840
  O        15.5279394580       15.1771552464       16.0866374359
  H        15.0210091182       15.2768216799       16.9115138802
  H        17.5352555665       15.0613336930       14.7269993478
  H        13.9826017063       13.0497354955       13.3027649802
  H        15.8487897258       17.5092985329       13.2792019834
      14
 i =      220, E =     -1643.7395893742
 Fe        14.9431567407       15.1729438654       14.3596736712
  O        15.0584510564       16.9383323504       13.2987080896
  H        14.2652384350       17.4882655502       13.1594855259
  O        14.9443052777       13.1946519121       13.4210715841
  H        15.2833336041       12.4091267247       13.8913374452
  O        17.0523303688       15.1758110661       13.8847074172
  H        17.4977030254       14.6256893300       13.2139669089
  O        13.1663025167       15.0605640698       14.2310673150
  H        12.4456119395       15.1611857060       14.8757941534
  O        15.5279392639       15.1771553726       16.0866389493
  H        15.0209794596       15.2767850269       16.9115036975
  H        17.5352574189       15.0613294701       14.7269965849
  H        13.9826028632       13.0497344097       13.3027629914
  H        15.8488214967       17.5092612268       13.2792039025
      14
 i =      221, E =     -1643.7395893956
 Fe        14.9431564179       15.1729438969       14.3596729252
  O        15.0584528835       16.9383332435       13.2987088572
  H        14.2652516006       17.4882997559       13.1595453260
  O        14.9443055565       13.1946519648       13.4210712124
  H        15.2833367780       12.4091228723       13.8913286551
  O        17.0523302126       15.1758113153       13.8847067773
  H        17.4976989915       14.6256873087       13.2139655993
  O        13.1663033009       15.0605640137       14.2310663481
  H        12.4455728524       15.1611836319       14.8757443681
  O        15.5279385417       15.1771553735       16.0866404994
  H        15.0209640121       15.2767653452       16.9114975397
  H        17.5352585261       15.0613271966       14.7269954493
  H        13.9826034166       13.0497338812       13.3027619197
  H        15.8488383388       17.5092411896       13.2792051756
      14
 i =      222, E =     -1643.7395894486
 Fe        14.9431552899       15.1729434575       14.3596736134
  O        15.0584547491       16.9383348868       13.2987094919
  H        14.2652733289       17.4883544873       13.1596417741
  O        14.9443060251       13.1946520272       13.4210708169
  H        15.2833417843       12.4091167863       13.8913144820
  O        17.0523301556       15.1758116625       13.8847061896
  H        17.4976925057       14.6256840657       13.2139635371
  O        13.1663068928       15.0605637391       14.2310640208
  H        12.4455083303       15.1611805528       14.8756651335
  O        15.5279380243       15.1771555061       16.0866422856
  H        15.0209387090       15.2767336923       16.9114881955
  H        17.5352601313       15.0613235970       14.7269932793
  H        13.9826043034       13.0497330313       13.3027601866
  H        15.8488657036       17.5092090874       13.2792071935
      14
 i =      223, E =     -1643.7395896202
 Fe        14.9431549057       15.1729433549       14.3596729344
  O        15.0584560521       16.9383362436       13.2987110164
  H        14.2652873769       17.4883889852       13.1597026294
  O        14.9443062723       13.1946520044       13.4210703598
  H        15.2833449284       12.4091129410       13.8913056166
  O        17.0523300564       15.1758118246       13.8847058801
  H        17.4976884555       14.6256819740       13.2139621895
  O        13.1663085507       15.0605635453       14.2310616268
  H        12.4454675576       15.1611786865       14.8756150098
  O        15.5279374345       15.1771552275       16.0866432500
  H        15.0209227029       15.2767137578       16.9114823570
  H        17.5352610919       15.0613213619       14.7269918822
  H        13.9826049632       13.0497325071       13.3027590972
  H        15.8488831281       17.5091888216       13.2792085222
      14
 i =      224, E =     -1643.7395896099
 Fe        14.9431544732       15.1729430968       14.3596736481
  O        15.0584578219       16.9383377795       13.2987120405
  H        14.2653077888       17.4884400297       13.1597923730
  O        14.9443067288       13.1946520473       13.4210699892
  H        15.2833494848       12.4091073482       13.8912925500
  O        17.0523299790       15.1758120815       13.8847053510
  H        17.4976824512       14.6256789484       13.2139603271
  O        13.1663116804       15.0605633040       14.2310593621
  H        12.4454072463       15.1611760018       14.8755408370
  O        15.5279367881       15.1771552946       16.0866448386
  H        15.0208991421       15.2766843027       16.9114735486
  H        17.5352625308       15.0613180805       14.7269898289
  H        13.9826057905       13.0497317429       13.3027574775
  H        15.8489087406       17.5091588785       13.2792104030
      14
 i =      225, E =     -1643.7395896763
 Fe        14.9431543235       15.1729429907       14.3596726385
  O        15.0584592737       16.9383388959       13.2987124670
  H        14.2653224678       17.4884768488       13.1598570141
  O        14.9443069100       13.1946521688       13.4210697749
  H        15.2833527266       12.4091033168       13.8912831995
  O        17.0523298671       15.1758122264       13.8847048167
  H        17.4976780933       14.6256768407       13.2139591359
  O        13.1663137878       15.0605631239       14.2310580011
  H        12.4453636003       15.1611741405       14.8754872082
  O        15.5279367817       15.1771553824       16.0866456992
  H        15.0208818773       15.2766631260       16.9114677659
  H        17.5352636325       15.0613157202       14.7269884241
  H        13.9826064728       13.0497311876       13.3027563113
  H        15.8489269140       17.5091371501       13.2792117721
      14
 i =      226, E =     -1643.7395896834
 Fe        14.9431534545       15.1729428514       14.3596736175
  O        15.0584605347       16.9383397866       13.2987130556
  H        14.2653346888       17.4885078398       13.1599113326
  O        14.9443071985       13.1946521699       13.4210694555
  H        15.2833554899       12.4090999027       13.8912754343
  O        17.0523297247       15.1758125291       13.8847043587
  H        17.4976745418       14.6256748961       13.2139578993
  O        13.1663146766       15.0605631056       14.2310574552
  H        12.4453278834       15.1611724900       14.8754411941
  O        15.5279361863       15.1771554353       16.0866469780
  H        15.0208677448       15.2766452369       16.9114621005
  H        17.5352645931       15.0613137424       14.7269874585
  H        13.9826069291       13.0497308047       13.3027553402
  H        15.8489424335       17.5091189821       13.2792130106
      14
 i =      227, E =     -1643.7395899153
 Fe        14.9431526913       15.1729424626       14.3596720120
  O        15.0584620845       16.9383415086       13.2987138678
  H        14.2653576261       17.4885644388       13.1600109902
  O        14.9443075641       13.1946522748       13.4210690996
  H        15.2833604142       12.4090937647       13.8912611559
  O        17.0523297316       15.1758128145       13.8847040415
  H        17.4976679371       14.6256714980       13.2139559152
  O        13.1663196344       15.0605627055       14.2310542864
  H        12.4452595184       15.1611698980       14.8753589813
  O        15.5279358787       15.1771556039       16.0866486776
  H        15.0208413177       15.2766125391       16.9114526702
  H        17.5352660809       15.0613102054       14.7269850463
  H        13.9826079305       13.0497300426       13.3027535591
  H        15.8489709159       17.5090856746       13.2792151450
      14
 i =      228, E =     -1643.7395898594
 Fe        14.9431514724       15.1729422454       14.3596757485
  O        15.0584641887       16.9383429768       13.2987140073
  H        14.2653789735       17.4886186352       13.1601060255
  O        14.9443080331       13.1946522803       13.4210686478
  H        15.2833651679       12.4090878747       13.8912477478
  O        17.0523296858       15.1758133270       13.8847032293
  H        17.4976617137       14.6256681215       13.2139538700
  O        13.1663227671       15.0605626481       14.2310537921
  H        12.4451959504       15.1611672870       14.8752784112
  O        15.5279349677       15.1771560540       16.0866512554
  H        15.0208166415       15.2765811452       16.9114423492
  H        17.5352676016       15.0613068210       14.7269832802
  H        13.9826087618       13.0497294198       13.3027518406
  H        15.8489981261       17.5090539203       13.2792174505
      14
 i =      229, E =     -1643.7395899327
 Fe        14.9431525948       15.1729423199       14.3596733883
  O        15.0584655208       16.9383436725       13.2987151313
  H        14.2653856188       17.4886355850       13.1601353345
  O        14.9443082423       13.1946522877       13.4210684967
  H        15.2833665494       12.4090861094       13.8912435572
  O        17.0523295334       15.1758132572       13.8847028967
  H        17.4976596989       14.6256672288       13.2139534607
  O        13.1663224506       15.0605625144       14.2310523796
  H        12.4451760047       15.1611665353       14.8752536329
  O        15.5279349722       15.1771557299       16.0866511412
  H        15.0208085473       15.2765715654       16.9114401248
  H        17.5352681427       15.0613057638       14.7269826609
  H        13.9826090096       13.0497291763       13.3027512890
  H        15.8490062045       17.5090437904       13.2792181616
      14
 i =      230, E =     -1643.7395897266
 Fe        14.9431519938       15.1729421943       14.3596733218
  O        15.0584663195       16.9383443892       13.2987157008
  H        14.2653952718       17.4886595207       13.1601773311
  O        14.9443084112       13.1946523759       13.4210682685
  H        15.2833686022       12.4090835006       13.8912376839
  O        17.0523295258       15.1758133864       13.8847026877
  H        17.4976569318       14.6256657699       13.2139526473
  O        13.1663240100       15.0605623358       14.2310508487
  H        12.4451470357       15.1611655510       14.8752185304
  O        15.5279346170       15.1771556949       16.0866518704
  H        15.0207974561       15.2765577297       16.9114359199
  H        17.5352687687       15.0613042925       14.7269817312
  H        13.9826093844       13.0497288960       13.3027505229
  H        15.8490182456       17.5090297234       13.2792192175
      14
 i =      231, E =     -1643.7395899718
 Fe        14.9431508910       15.1729417726       14.3596734066
  O        15.0584687026       16.9383465362       13.2987170670
  H        14.2654235440       17.4887296187       13.1603002594
  O        14.9443089412       13.1946525033       13.4210677540
  H        15.2833745144       12.4090760211       13.8912204468
  O        17.0523293764       15.1758137781       13.8847019503
  H        17.4976488525       14.6256615153       13.2139503166
  O        13.1663280399       15.0605619508       14.2310474042
  H        12.4450627782       15.1611626295       14.8751149938
  O        15.5279337839       15.1771557034       16.0866538528
  H        15.0207648885       15.2765172514       16.9114237785
  H        17.5352706505       15.0612999919       14.7269791061
  H        13.9826105080       13.0497280737       13.3027482703
  H        15.8490534276       17.5089884632       13.2792222782
      14
 i =      232, E =     -1643.7395900848
 Fe        14.9431502644       15.1729416890       14.3596732398
  O        15.0584697880       16.9383475725       13.2987173937
  H        14.2654382168       17.4887668729       13.1603652559
  O        14.9443092280       13.1946521806       13.4210672330
  H        15.2833777178       12.4090720744       13.8912115399
  O        17.0523296709       15.1758142837       13.8847015592
  H        17.4976446390       14.6256590245       13.2139487906
  O        13.1663290438       15.0605619286       14.2310471594
  H        12.4450190626       15.1611610568       14.8750587334
  O        15.5279330026       15.1771559991       16.0866563180
  H        15.0207480267       15.2764955750       16.9114162040
  H        17.5352716010       15.0612977461       14.7269779129
  H        13.9826110649       13.0497278310       13.3027470915
  H        15.8490725425       17.5089666874       13.2792241413
      14
 i =      233, E =     -1643.7395899492
 Fe        14.9431504806       15.1729417624       14.3596729637
  O        15.0584697498       16.9383472809       13.2987179188
  H        14.2654320839       17.4887505705       13.1603369968
  O        14.9443090830       13.1946525198       13.4210675619
  H        15.2833762429       12.4090738214       13.8912152909
  O        17.0523291661       15.1758138843       13.8847017045
  H        17.4976464755       14.6256602373       13.2139496362
  O        13.1663283357       15.0605619220       14.2310464891
  H        12.4450381770       15.1611616990       14.8750835049
  O        15.5279335050       15.1771555047       16.0866543753
  H        15.0207551031       15.2765052168       16.9114203905
  H        17.5352712569       15.0612987048       14.7269783697
  H        13.9826109135       13.0497278287       13.3027476031
  H        15.8490638339       17.5089761200       13.2792232657
      14
 i =      234, E =     -1643.7395900858
 Fe        14.9431499293       15.1729415353       14.3596734839
  O        15.0584711818       16.9383485133       13.2987187480
  H        14.2654478199       17.4887895239       13.1604051662
  O        14.9443093691       13.1946525260       13.4210671862
  H        15.2833794818       12.4090697089       13.8912058777
  O        17.0523290927       15.1758141318       13.8847012306
  H        17.4976420205       14.6256578303       13.2139483519
  O        13.1663305615       15.0605617424       14.2310446937
  H        12.4449913788       15.1611601880       14.8750254413
  O        15.5279333129       15.1771554615       16.0866553094
  H        15.0207367624       15.2764827499       16.9114139898
  H        17.5352723252       15.0612963492       14.7269770318
  H        13.9826115569       13.0497274596       13.3027463695
  H        15.8490834298       17.5089531810       13.2792251410
      14
 i =      235, E =     -1643.7395902812
 Fe        14.9431490518       15.1729413707       14.3596732282
  O        15.0584721303       16.9383493429       13.2987188590
  H        14.2654612439       17.4888232099       13.1604641239
  O        14.9443096964       13.1946525100       13.4210669063
  H        15.2833822929       12.4090661238       13.8911978171
  O        17.0523290852       15.1758145136       13.8847008494
  H        17.4976382490       14.6256556229       13.2139470650
  O        13.1663324154       15.0605617118       14.2310443766
  H        12.4449516576       15.1611588352       14.8749745073
  O        15.5279326424       15.1771557690       16.0866571803
  H        15.0207214655       15.2764632200       16.9114073705
  H        17.5352732563       15.0612943365       14.7269760007
  H        13.9826119922       13.0497272228       13.3027453152
  H        15.8491005661       17.5089334254       13.2792266494
      14
 i =      236, E =     -1643.7395901570
 Fe        14.9431488733       15.1729410714       14.3596735648
  O        15.0584737709       16.9383508699       13.2987194607
  H        14.2654810164       17.4888722162       13.1605498465
  O        14.9443099229       13.1946525743       13.4210664888
  H        15.2833863145       12.4090609471       13.8911861199
  O        17.0523291149       15.1758148061       13.8847002565
  H        17.4976326671       14.6256525759       13.2139454565
  O        13.1663362752       15.0605614423       14.2310422936
  H        12.4448922708       15.1611571281       14.8749013927
  O        15.5279322400       15.1771559783       16.0866586132
  H        15.0206986036       15.2764349039       16.9113987686
  H        17.5352745061       15.0612914450       14.7269743492
  H        13.9826128599       13.0497267998       13.3027437743
  H        15.8491252542       17.5089044913       13.2792288893
      14
 i =      237, E =     -1643.7395902670
 Fe        14.9431489417       15.1729410911       14.3596729980
  O        15.0584761934       16.9383519724       13.2987209314
  H        14.2654952131       17.4889078048       13.1606115636
  O        14.9443102108       13.1946528133       13.4210664301
  H        15.2833890017       12.4090574211       13.8911775497
  O        17.0523287708       15.1758146038       13.8846998592
  H        17.4976285187       14.6256506882       13.2139448214
  O        13.1663389163       15.0605610943       14.2310389648
  H        12.4448484184       15.1611560601       14.8748491985
  O        15.5279330380       15.1771554860       16.0866572748
  H        15.0206809422       15.2764147431       16.9113949020
  H        17.5352754300       15.0612893664       14.7269728340
  H        13.9826135418       13.0497264068       13.3027426624
  H        15.8491423565       17.5088833030       13.2792306487
      14
 i =      238, E =     -1643.7395903243
 Fe        14.9431470230       15.1729404287       14.3596735384
  O        15.0584783858       16.9383546133       13.2987231901
  H        14.2655280608       17.4889869042       13.1607503584
  O        14.9443109559       13.1946529950       13.4210658117
  H        15.2833952419       12.4090492637       13.8911586576
  O        17.0523283959       15.1758150762       13.8846992786
  H        17.4976196230       14.6256457426       13.2139424214
  O        13.1663412857       15.0605608613       14.2310355554
  H        12.4447530487       15.1611533476       14.8747288779
  O        15.5279303496       15.1771555175       16.0866622700
  H        15.0206452275       15.2763686757       16.9113791967
  H        17.5352774278       15.0612847309       14.7269698388
  H        13.9826148180       13.0497256838       13.3027401089
  H        15.8491826521       17.5088368281       13.2792347065
      14
 i =      239, E =     -1643.7395904160
 Fe        14.9431474037       15.1729404731       14.3596720210
  O        15.0584824927       16.9383571249       13.2987253598
  H        14.2655598644       17.4890659277       13.1608876268
  O        14.9443115252       13.1946532247       13.4210650441
  H        15.2834014050       12.4090411101       13.8911402936
  O        17.0523281283       15.1758155821       13.8846983124
  H        17.4976107525       14.6256408219       13.2139401239
  O        13.1663465087       15.0605603103       14.2310304738
  H        12.4446560443       15.1611511973       14.8746105854
  O        15.5279298466       15.1771552167       16.0866638108
  H        15.0206080479       15.2763232989       16.9113661760
  H        17.5352794430       15.0612801682       14.7269671911
  H        13.9826160635       13.0497250431       13.3027375247
  H        15.8492220677       17.5087902446       13.2792390382
      14
 i =      240, E =     -1643.7395827355
 Fe        14.9433812843       15.1730222683       14.3595894416
  O        15.0583713108       16.9382063758       13.2986098993
  H        14.2635142579       17.4841844476       13.1523451840
  O        14.9442650157       13.1946473118       13.4210984250
  H        15.2830350785       12.4095271577       13.8922782721
  O        17.0523377783       15.1757922512       13.8847382778
  H        17.4981577406       14.6259467148       13.2140721165
  O        13.1661132431       15.0605719570       14.2312230521
  H        12.4506217223       15.1612819125       14.8821049406
  O        15.5280368219       15.1771464369       16.0864655098
  H        15.0228564706       15.2791637363       16.9122857452
  H        17.5351656975       15.0615576519       14.7271498675
  H        13.9825387452       13.0497612364       13.3028978745
  H        15.8467099317       17.5116437291       13.2789582187
      14
 i =      241, E =     -1643.7395824913
 Fe        14.9431534953       15.1729487655       14.3596795657
  O        15.0582717285       16.9382208634       13.2986046186
  H        14.2635880093       17.4841994764       13.1524446415
  O        14.9442760218       13.1946404188       13.4211018137
  H        15.2830387930       12.4095265216       13.8922552722
  O        17.0523500523       15.1757872588       13.8847460757
  H        17.4981494533       14.6259459082       13.2140701140
  O        13.1660990404       15.0605809929       14.2312582402
  H        12.4506036648       15.1612681518       14.8820089669
  O        15.5280062109       15.1771527014       16.0865049754
  H        15.0228559844       15.2791273599       16.9122373992
  H        17.5351627833       15.0615540151       14.7271372327
  H        13.9825365955       13.0497594563       13.3028973624
  H        15.8467711052       17.5116401365       13.2789551185
      14
 i =      242, E =     -1643.7395828396
 Fe        14.9431720382       15.1729435949       14.3596897172
  O        15.0582529774       16.9382251183       13.2986143989
  H        14.2636444645       17.4842764829       13.1526040772
  O        14.9442777234       13.1946399153       13.4211027056
  H        15.2830494866       12.4095164389       13.8922208989
  O        17.0523491610       15.1757829683       13.8847480944
  H        17.4981350358       14.6259446334       13.2140686306
  O        13.1660836225       15.0605836287       14.2312644908
  H        12.4505197625       15.1612506899       14.8818847822
  O        15.5280005253       15.1771512065       16.0864970537
  H        15.0228140048       15.2790730276       16.9122239073
  H        17.5351642431       15.0615454954       14.7271253420
  H        13.9825400385       13.0497541240       13.3028953092
  H        15.8468192260       17.5115913337       13.2789516214
      14
 i =      243, E =     -1643.7395828364
 Fe        14.9432410364       15.1729719489       14.3596625150
  O        15.0582829641       16.9382167199       13.2986198950
  H        14.2636412475       17.4843155646       13.1526511517
  O        14.9442742611       13.1946427733       13.4211003224
  H        15.2830546361       12.4095098063       13.8922122480
  O        17.0523409899       15.1757879771       13.8847479031
  H        17.4981335466       14.6259406353       13.2140639274
  O        13.1660601343       15.0605845268       14.2312745973
  H        12.4504992937       15.1612442447       14.8818385340
  O        15.5279788500       15.1771555933       16.0865333485
  H        15.0228189796       15.2790521261       16.9121904528
  H        17.5351673763       15.0615421190       14.7271261189
  H        13.9825423285       13.0497524146       13.3028943938
  H        15.8468251824       17.5115683494       13.2789509124
      14
 i =      244, E =     -1643.7395832089
 Fe        14.9428701923       15.1728751474       14.3597625981
  O        15.0582655054       16.9382257515       13.2986376306
  H        14.2638067593       17.4846349830       13.1532531895
  O        14.9442880718       13.1946446066       13.4210984173
  H        15.2830986935       12.4094656739       13.8920875693
  O        17.0523426224       15.1757837932       13.8847396510
  H        17.4980832217       14.6259294620       13.2140468746
  O        13.1661749978       15.0605834077       14.2312164657
  H        12.4501085576       15.1611903705       14.8814351865
  O        15.5279852470       15.1771517004       16.0865063098
  H        15.0226518572       15.2788472202       16.9121494748
  H        17.5351838644       15.0615095801       14.7271029859
  H        13.9825459728       13.0497363653       13.3028867501
  H        15.8470094804       17.5113766489       13.2789385842
      14
 i =      245, E =     -1643.7395835091
 Fe        14.9431868915       15.1729411557       14.3596981829
  O        15.0582808065       16.9382226411       13.2986407654
  H        14.2638163962       17.4846818879       13.1533240978
  O        14.9442809859       13.1946454678       13.4210972201
  H        15.2831055508       12.4094585688       13.8920743330
  O        17.0523352673       15.1757859824       13.8847421458
  H        17.4980781466       14.6259266416       13.2140440675
  O        13.1660995120       15.0605841706       14.2312404170
  H        12.4500845791       15.1611800342       14.8813592067
  O        15.5279821569       15.1771507548       16.0865074995
  H        15.0226336215       15.2788223018       16.9121431815
  H        17.5351843525       15.0615055898       14.7270992767
  H        13.9825503777       13.0497328342       13.3028844802
  H        15.8470253564       17.5113465603       13.2789387232
      14
 i =      246, E =     -1643.7395835501
 Fe        14.9432243571       15.1729677381       14.3596629525
  O        15.0583053136       16.9382203930       13.2986439030
  H        14.2638214874       17.4847292796       13.1533929828
  O        14.9442783156       13.1946463273       13.4210956930
  H        15.2831117949       12.4094515269       13.8920613739
  O        17.0523331691       15.1757880131       13.8847423145
  H        17.4980735438       14.6259237519       13.2140403409
  O        13.1660823682       15.0605846009       14.2312493584
  H        12.4500505338       15.1611723136       14.8812985669
  O        15.5279682221       15.1771534978       16.0865354969
  H        15.0226278295       15.2787956585       16.9121168773
  H        17.5351863466       15.0615018540       14.7270972844
  H        13.9825527427       13.0497310843       13.3028831894
  H        15.8470382691       17.5113168475       13.2789381786
      14
 i =      247, E =     -1643.7395838834
 Fe        14.9432067866       15.1729621230       14.3596701327
  O        15.0583042865       16.9382219792       13.2986433122
  H        14.2638322600       17.4847536512       13.1534378262
  O        14.9442787090       13.1946461315       13.4210953643
  H        15.2831152680       12.4094481115       13.8920527555
  O        17.0523340547       15.1757879892       13.8847416435
  H        17.4980699728       14.6259227002       13.2140387450
  O        13.1660882739       15.0605842697       14.2312470363
  H        12.4500222667       15.1611685186       14.8812671548
  O        15.5279687120       15.1771534277       16.0865350647
  H        15.0226157987       15.2787804663       16.9121132850
  H        17.5351874763       15.0614996368       14.7270960349
  H        13.9825531112       13.0497301660       13.3028825358
  H        15.8470524266       17.5113023813       13.2789376751
      14
 i =      248, E =     -1643.7395838680
 Fe        14.9432000913       15.1729593268       14.3596727031
  O        15.0583052163       16.9382234662       13.2986429761
  H        14.2638476993       17.4847925646       13.1535072825
  O        14.9442791744       13.1946460371       13.4210948799
  H        15.2831207002       12.4094426993       13.8920394568
  O        17.0523345709       15.1757883457       13.8847409170
  H        17.4980646445       14.6259208295       13.2140361036
  O        13.1660922761       15.0605839591       14.2312451317
  H        12.4499798058       15.1611623784       14.8812166852
  O        15.5279689706       15.1771534021       16.0865356751
  H        15.0225976992       15.2787568007       16.9121067585
  H        17.5351891835       15.0614961363       14.7270940562
  H        13.9825536505       13.0497285482       13.3028814000
  H        15.8470734875       17.5112792982       13.2789369333
      14
 i =      249, E =     -1643.7395840046
 Fe        14.9432019431       15.1729591588       14.3596738821
  O        15.0583077995       16.9382255305       13.2986429000
  H        14.2638720854       17.4848553400       13.1536183481
  O        14.9442795699       13.1946459762       13.4210941778
  H        15.2831293079       12.4094340401       13.8920182415
  O        17.0523348343       15.1757888894       13.8847397979
  H        17.4980561660       14.6259178741       13.2140320464
  O        13.1660959585       15.0605835170       14.2312424734
  H        12.4499120852       15.1611525800       14.8811353627
  O        15.5279694068       15.1771533628       16.0865364426
  H        15.0225686468       15.2787190353       16.9120968459
  H        17.5351919225       15.0614905379       14.7270908146
  H        13.9825547836       13.0497258576       13.3028795269
  H        15.8471064765       17.5112418895       13.2789358434
      14
 i =      250, E =     -1643.7395840083
 Fe        14.9432000841       15.1729589822       14.3596722218
  O        15.0583099637       16.9382268286       13.2986432898
  H        14.2638885609       17.4848982398       13.1536939321
  O        14.9442798702       13.1946459480       13.4210936951
  H        15.2831351027       12.4094281627       13.8920038983
  O        17.0523349308       15.1757892076       13.8847391417
  H        17.4980504491       14.6259158462       13.2140293008
  O        13.1660983826       15.0605832498       14.2312407541
  H        12.4498661714       15.1611459860       14.8810797615
  O        15.5279692028       15.1771533555       16.0865378302
  H        15.0225492218       15.2786933071       16.9120896115
  H        17.5351937772       15.0614867636       14.7270885636
  H        13.9825555799       13.0497240777       13.3028782726
  H        15.8471286637       17.5112163364       13.2789351616
      14
 i =      251, E =     -1643.7395841211
 Fe        14.9432003834       15.1729580354       14.3596761151
  O        15.0583193454       16.9382331108       13.2986464707
  H        14.2639638629       17.4850930185       13.1540371980
  O        14.9442813089       13.1946457137       13.4210912263
  H        15.2831612802       12.4094016191       13.8919391062
  O        17.0523348920       15.1757905800       13.8847361593
  H        17.4980246929       14.6259065597       13.2140168415
  O        13.1661068836       15.0605820464       14.2312322532
  H        12.4496582424       15.1611162514       14.8808266928
  O        15.5279677059       15.1771527730       16.0865419020
  H        15.0224607099       15.2785768448       16.9120572846
  H        17.5352020384       15.0614697025       14.7270784308
  H        13.9825591843       13.0497159624       13.3028725397
  H        15.8472294893       17.5111004045       13.2789322170
      14
 i =      252, E =     -1643.7395843969
 Fe        14.9431970214       15.1729579156       14.3596737800
  O        15.0583213970       16.9382345410       13.2986482109
  H        14.2639812033       17.4851373387       13.1541151813
  O        14.9442817592       13.1946456101       13.4210905638
  H        15.2831670408       12.4093957062       13.8919247199
  O        17.0523347745       15.1757907605       13.8847354900
  H        17.4980189609       14.6259044136       13.2140140749
  O        13.1661089899       15.0605817597       14.2312294624
  H        12.4496109285       15.1611098446       14.8807690280
  O        15.5279667866       15.1771524609       16.0865434328
  H        15.0224409141       15.2785505290       16.9120497021
  H        17.5352038479       15.0614659339       14.7270761536
  H        13.9825600158       13.0497142290       13.3028712515
  H        15.8472522709       17.5110741467       13.2789318079
      14
 i =      253, E =     -1643.7395849946
 Fe        14.9432022679       15.1729558533       14.3596766222
  O        15.0583373705       16.9382472660       13.2986605766
  H        14.2641329849       17.4855237105       13.1547956279
  O        14.9442842834       13.1946452575       13.4210850773
  H        15.2832171147       12.4093442079       13.8918000806
  O        17.0523336590       15.1757919728       13.8847291421
  H        17.4979687606       14.6258862860       13.2139910234
  O        13.1661249901       15.0605793896       14.2312073864
  H        12.4491975286       15.1610544381       14.8802656321
  O        15.5279607177       15.1771500979       16.0865515537
  H        15.0222664926       15.2783216693       16.9119861233
  H        17.5352193423       15.0614331912       14.7270563422
  H        13.9825679926       13.0496991195       13.3028600063
  H        15.8474511080       17.5108452980       13.2789286583
      14
 i =      254, E =     -1643.7395851310
 Fe        14.9431775561       15.1729556065       14.3596690592
  O        15.0583417768       16.9382491110       13.2986609293
  H        14.2641609597       17.4855973732       13.1549246128
  O        14.9442855101       13.1946453165       13.4210851337
  H        15.2832258026       12.4093350820       13.8917772885
  O        17.0523340669       15.1757922968       13.8847284650
  H        17.4979595425       14.6258829404       13.2139871678
  O        13.1661353936       15.0605791270       14.2312040661
  H        12.4491174779       15.1610451600       14.8801708858
  O        15.5279607307       15.1771505528       16.0865569054
  H        15.0222341923       15.2782787478       16.9119734936
  H        17.5352221980       15.0614273310       14.7270524412
  H        13.9825692125       13.0496966929       13.3028579408
  H        15.8474875409       17.5108018901       13.2789287674
      14
 i =      255, E =     -1643.7395856084
 Fe        14.9432149130       15.1729560293       14.3596806142
  O        15.0583518772       16.9382560921       13.2986623842
  H        14.2642611888       17.4858555892       13.1553777279
  O        14.9442869927       13.1946463274       13.4210837323
  H        15.2832567506       12.4093024811       13.8916985584
  O        17.0523315537       15.1757946181       13.8847257845
  H        17.4979278538       14.6258705563       13.2139734768
  O        13.1661400111       15.0605789022       14.2312009298
  H        12.4488437550       15.1610115858       14.8798286065
  O        15.5279595783       15.1771512872       16.0865626876
  H        15.0221177513       15.2781285919       16.9119334448
  H        17.5352320037       15.0614066507       14.7270397359
  H        13.9825746125       13.0496875022       13.3028503621
  H        15.8476171831       17.5106500254       13.2789299551
      14
 i =      256, E =     -1643.7395853597
 Fe        14.9432291379       15.1729548758       14.3596872687
  O        15.0583477934       16.9382554413       13.2986620878
  H        14.2642495431       17.4858222767       13.1553204629
  O        14.9442855448       13.1946465329       13.4210832124
  H        15.2832530015       12.4093062323       13.8917091915
  O        17.0523319966       15.1757937958       13.8847249976
  H        17.4979315610       14.6258725947       13.2139758261
  O        13.1661379649       15.0605787047       14.2312003268
  H        12.4488771717       15.1610161996       14.8798723598
  O        15.5279593467       15.1771511806       16.0865600683
  H        15.0221322046       15.2781476718       16.9119388216
  H        17.5352308143       15.0614093457       14.7270418325
  H        13.9825745936       13.0496887508       13.3028513431
  H        15.8476018180       17.5106698566       13.2789300120
      14
 i =      257, E =     -1643.7395855366
 Fe        14.9431903115       15.1729537777       14.3596739175
  O        15.0583512462       16.9382571620       13.2986630100
  H        14.2642745247       17.4858881879       13.1554358483
  O        14.9442868888       13.1946462917       13.4210829183
  H        15.2832605192       12.4092982421       13.8916895753
  O        17.0523331901       15.1757938389       13.8847241542
  H        17.4979233769       14.6258696463       13.2139724803
  O        13.1661510205       15.0605782000       14.2311951676
  H        12.4488034599       15.1610088148       14.8797883616
  O        15.5279592570       15.1771515998       16.0865653511
  H        15.0221033270       15.2781093553       16.9119275636
  H        17.5352333408       15.0614044342       14.7270386987
  H        13.9825754375       13.0496869729       13.3028495388
  H        15.8476343688       17.5106310504       13.2789306026
      14
 i =      258, E =     -1643.7395857788
 Fe        14.9431578413       15.1729540700       14.3596622273
  O        15.0583521918       16.9382561297       13.2986628589
  H        14.2642626976       17.4858603201       13.1553861679
  O        14.9442879507       13.1946458179       13.4210836257
  H        15.2832570165       12.4093020751       13.8916976683
  O        17.0523338919       15.1757939609       13.8847251883
  H        17.4979270144       14.6258706383       13.2139734500
  O        13.1661548478       15.0605784466       14.2311961561
  H        12.4488341518       15.1610122395       14.8798258791
  O        15.5279600320       15.1771517113       16.0865677702
  H        15.0221165534       15.2781256502       16.9119310999
  H        17.5352323222       15.0614066367       14.7270398102
  H        13.9825742124       13.0496880752       13.3028504132
  H        15.8476195251       17.5106472752       13.2789301967
      14
 i =      259, E =     -1643.7395858840
 Fe        14.9431918017       15.1729547539       14.3596741920
  O        15.0583542536       16.9382585254       13.2986630846
  H        14.2642937372       17.4859402475       13.1555261263
  O        14.9442878463       13.1946459179       13.4210827668
  H        15.2832663435       12.4092922461       13.8916743423
  O        17.0523330608       15.1757947024       13.8847242627
  H        17.4979174221       14.6258667412       13.2139693712
  O        13.1661524596       15.0605783870       14.2311964890
  H        12.4487494505       15.1610023954       14.8797181474
  O        15.5279607163       15.1771519841       16.0865660548
  H        15.0220792196       15.2780795236       16.9119204668
  H        17.5352351391       15.0614005548       14.7270362765
  H        13.9825759975       13.0496854221       13.3028480636
  H        15.8476594417       17.5105999553       13.2789310545
      14
 i =      260, E =     -1643.7395858008
 Fe        14.9431817059       15.1729536263       14.3596743254
  O        15.0583561843       16.9382602263       13.2986636712
  H        14.2643183717       17.4860039910       13.1556380254
  O        14.9442881807       13.1946460689       13.4210821294
  H        15.2832736497       12.4092843677       13.8916558417
  O        17.0523330360       15.1757950043       13.8847230545
  H        17.4979096916       14.6258637303       13.2139661866
  O        13.1661580968       15.0605779729       14.2311929830
  H        12.4486795157       15.1609951929       14.8796345918
  O        15.5279587321       15.1771524517       16.0865699813
  H        15.0220516428       15.2780423917       16.9119087384
  H        17.5352375972       15.0613957835       14.7270336957
  H        13.9825772301       13.0496836304       13.3028463194
  H        15.8476913713       17.5105625213       13.2789317629
      14
 i =      261, E =     -1643.7395860224
 Fe        14.9432163313       15.1729548136       14.3596777804
  O        15.0583634387       16.9382663011       13.2986687051
  H        14.2643933053       17.4861975724       13.1559770395
  O        14.9442893250       13.1946460758       13.4210799678
  H        15.2832955052       12.4092609641       13.8916000906
  O        17.0523316318       15.1757961536       13.8847210833
  H        17.4978866216       14.6258542748       13.2139564254
  O        13.1661586445       15.0605768044       14.2311842914
  H        12.4484707398       15.1609731773       14.8793771822
  O        15.5279547138       15.1771517338       16.0865731793
  H        15.0219649021       15.2779308176       16.9118782644
  H        17.5352441695       15.0613814906       14.7270249116
  H        13.9825808956       13.0496777747       13.3028407268
  H        15.8477879678       17.5104486264       13.2789344673
      14
 i =      262, E =     -1643.7395863783
 Fe        14.9430802257       15.1729465444       14.3596554752
  O        15.0583705264       16.9382716551       13.2986739469
  H        14.2644480215       17.4863375481       13.1562238330
  O        14.9442926870       13.1946454898       13.4210788164
  H        15.2833104793       12.4092444829       13.8915598859
  O        17.0523349542       15.1757955890       13.8847180763
  H        17.4978694028       14.6258481154       13.2139499703
  O        13.1661946443       15.0605754630       14.2311679072
  H        12.4483107606       15.1609594545       14.8791981338
  O        15.5279538564       15.1771511230       16.0865850275
  H        15.0219036756       15.2778498223       16.9118532888
  H        17.5352495439       15.0613714781       14.7270189594
  H        13.9825827345       13.0496747950       13.3028371091
  H        15.8478582932       17.5103668210       13.2789366661
      14
 i =      263, E =     -1643.7395865757
 Fe        14.9430805952       15.1729457693       14.3596636914
  O        15.0583716680       16.9382735739       13.2986741249
  H        14.2644798546       17.4864181762       13.1563656271
  O        14.9442924525       13.1946459769       13.4210778724
  H        15.2833192372       12.4092347540       13.8915376778
  O        17.0523341531       15.1757964268       13.8847161228
  H        17.4978600956       14.6258440370       13.2139461650
  O        13.1661978792       15.0605754998       14.2311671387
  H        12.4482237646       15.1609509698       14.8790883785
  O        15.5279511632       15.1771520097       16.0865899035
  H        15.0218692175       15.2778030558       16.9118372353
  H        17.5352525580       15.0613656408       14.7270162684
  H        13.9825846285       13.0496727125       13.3028348367
  H        15.8478996939       17.5103202020       13.2789384899
      14
 i =      264, E =     -1643.7395865613
 Fe        14.9432465540       15.1729555498       14.3596866148
  O        15.0583693472       16.9382725832       13.2986732710
  H        14.2644692466       17.4863904846       13.1563155884
  O        14.9442900515       13.1946462443       13.4210778440
  H        15.2833164879       12.4092381390       13.8915458774
  O        17.0523301369       15.1757973691       13.8847186347
  H        17.4978640033       14.6258448336       13.2139472695
  O        13.1661601393       15.0605762520       14.2311788488
  H        12.4482625286       15.1609523382       14.8791168123
  O        15.5279535098       15.1771510654       16.0865745402
  H        15.0218772360       15.2778200765       16.9118492628
  H        17.5352506200       15.0613675987       14.7270165955
  H        13.9825849619       13.0496722709       13.3028351219
  H        15.8478852831       17.5103357493       13.2789383307
      14
 i =      265, E =     -1643.7395865703
 Fe        14.9432395956       15.1729552161       14.3596823518
  O        15.0583731710       16.9382747183       13.2986735791
  H        14.2645046870       17.4864835025       13.1564777221
  O        14.9442910242       13.1946464747       13.4210774207
  H        15.2833262078       12.4092274845       13.8915203189
  O        17.0523300447       15.1757980756       13.8847176610
  H        17.4978533333       14.6258402074       13.2139428985
  O        13.1661680468       15.0605759220       14.2311758938
  H        12.4481603395       15.1609431576       14.8789929935
  O        15.5279521485       15.1771520552       16.0865796811
  H        15.0218368605       15.2777666387       16.9118327825
  H        17.5352536798       15.0613611785       14.7270126858
  H        13.9825863463       13.0496699022       13.3028324479
  H        15.8479312754       17.5102812960       13.2789404994
      14
 i =      266, E =     -1643.7395869775
 Fe        14.9431443292       15.1729488801       14.3596719246
  O        15.0583791880       16.9382789765       13.2986744040
  H        14.2645561640       17.4866171044       13.1567122158
  O        14.9442934684       13.1946463327       13.4210768864
  H        15.2833398827       12.4092123034       13.8914835642
  O        17.0523327267       15.1757980130       13.8847151372
  H        17.4978374321       14.6258341502       13.2139371954
  O        13.1661979528       15.0605749957       14.2311653617
  H        12.4480079844       15.1609311203       14.8788188932
  O        15.5279520107       15.1771530648       16.0865891814
  H        15.0217783260       15.2776896842       16.9118092074
  H        17.5352583494       15.0613521265       14.7270072969
  H        13.9825880471       13.0496672571       13.3028288939
  H        15.8479973467       17.5102028412       13.2789435143
      14
 i =      267, E =     -1643.7395869489
 Fe        14.9431642097       15.1729495159       14.3596724646
  O        15.0583821996       16.9382823485       13.2986768074
  H        14.2645929891       17.4867101295       13.1568756073
  O        14.9442935885       13.1946463754       13.4210757833
  H        15.2833493863       12.4092016811       13.8914588165
  O        17.0523323408       15.1757984480       13.8847137858
  H        17.4978267109       14.6258297001       13.2139334828
  O        13.1661975157       15.0605746765       14.2311624353
  H        12.4479062815       15.1609223557       14.8786912422
  O        15.5279524452       15.1771523894       16.0865891271
  H        15.0217354683       15.2776367040       16.9117959440
  H        17.5352612232       15.0613458519       14.7270035413
  H        13.9825901270       13.0496650675       13.3028261984
  H        15.8480437950       17.5101481259       13.2789461456
      14
 i =      268, E =     -1643.7395866914
 Fe        14.9432201130       15.1729533818       14.3596793878
  O        15.0583811959       16.9382812251       13.2986764607
  H        14.2645888150       17.4867001274       13.1568571570
  O        14.9442927415       13.1946466744       13.4210757625
  H        15.2833484749       12.4092027489       13.8914618006
  O        17.0523304684       15.1757991219       13.8847146406
  H        17.4978282802       14.6258297693       13.2139336172
  O        13.1661844357       15.0605749174       14.2311666073
  H        12.4479203773       15.1609228367       14.8787020133
  O        15.5279504390       15.1771526206       16.0865877516
  H        15.0217406003       15.2776424751       16.9117968440
  H        17.5352606933       15.0613464745       14.7270038701
  H        13.9825901470       13.0496649313       13.3028263029
  H        15.8480389456       17.5101542479       13.2789461354
      14
 i =      269, E =     -1643.7395869597
 Fe        14.9432012177       15.1729521816       14.3596740179
  O        15.0583853709       16.9382840441       13.2986786212
  H        14.2646280411       17.4868015768       13.1570346256
  O        14.9442940596       13.1946466300       13.4210750239
  H        15.2833585783       12.4091914066       13.8914349163
  O        17.0523306111       15.1757998503       13.8847135650
  H        17.4978168442       14.6258246193       13.2139292108
  O        13.1661935437       15.0605743573       14.2311611667
  H        12.4478072390       15.1609139814       14.8785654785
  O        15.5279484387       15.1771527476       16.0865932488
  H        15.0216963035       15.2775843831       16.9117788036
  H        17.5352639499       15.0613397436       14.7269998240
  H        13.9825916373       13.0496629024       13.3028234511
  H        15.8480894288       17.5100950033       13.2789491332
      14
 i =      270, E =     -1643.7395869717
 Fe        14.9431665747       15.1729491113       14.3596743965
  O        15.0583882392       16.9382867256       13.2986792897
  H        14.2646567337       17.4868748192       13.1571634715
  O        14.9442952260       13.1946465295       13.4210745486
  H        15.2833657147       12.4091833158       13.8914156461
  O        17.0523318416       15.1757999705       13.8847121546
  H        17.4978083702       14.6258211602       13.2139263815
  O        13.1662063339       15.0605740380       14.2311567318
  H        12.4477238257       15.1609079684       14.8784671200
  O        15.5279496133       15.1771529077       16.0865953786
  H        15.0216629520       15.2775425186       16.9117672628
  H        17.5352663207       15.0613349708       14.7269971130
  H        13.9825926779       13.0496616229       13.3028214511
  H        15.8481259188       17.5100519769       13.2789513268
      14
 i =      271, E =     -1643.7395873337
 Fe        14.9431817053       15.1729501398       14.3596727233
  O        15.0583893937       16.9382879326       13.2986800372
  H        14.2646710799       17.4869108336       13.1572265998
  O        14.9442950537       13.1946465892       13.4210741963
  H        15.2833691914       12.4091793709       13.8914063455
  O        17.0523312107       15.1758002338       13.8847119053
  H        17.4978043981       14.6258193164       13.2139249859
  O        13.1662045350       15.0605739208       14.2311560317
  H        12.4476844686       15.1609048327       14.8784168198
  O        15.5279496725       15.1771527231       16.0865949234
  H        15.0216461616       15.2775221235       16.9117626401
  H        17.5352673600       15.0613326384       14.7269956257
  H        13.9825936251       13.0496608152       13.3028204042
  H        15.8481437882       17.5100308004       13.2789526210
      14
 i =      272, E =     -1643.7395872354
 Fe        14.9431727137       15.1729493464       14.3596739294
  O        15.0583914310       16.9382896854       13.2986811007
  H        14.2646934615       17.4869679800       13.1573266313
  O        14.9442958151       13.1946464834       13.4210738038
  H        15.2833745971       12.4091732657       13.8913915747
  O        17.0523311908       15.1758006738       13.8847115510
  H        17.4977982002       14.6258162515       13.2139224701
  O        13.1662090939       15.0605737045       14.2311536593
  H        12.4476208705       15.1609001957       14.8783385408
  O        15.5279485875       15.1771529189       16.0865973245
  H        15.0216210289       15.2774895190       16.9117525367
  H        17.5352689721       15.0613290404       14.7269933475
  H        13.9825944386       13.0496597275       13.3028187940
  H        15.8481723593       17.5099974180       13.2789544774
      14
 i =      273, E =     -1643.7395872589
 Fe        14.9431805930       15.1729494430       14.3596717739
  O        15.0583936961       16.9382914360       13.2986809648
  H        14.2647192401       17.4870336990       13.1574416789
  O        14.9442961015       13.1946468317       13.4210734746
  H        15.2833807184       12.4091662220       13.8913747736
  O        17.0523309952       15.1758009607       13.8847106688
  H        17.4977909014       14.6258130507       13.2139201894
  O        13.1662136870       15.0605733902       14.2311513874
  H        12.4475464975       15.1608950366       14.8782485739
  O        15.5279490349       15.1771533568       16.0865984683
  H        15.0215911849       15.2774521797       16.9117426967
  H        17.5352707524       15.0613248943       14.7269906470
  H        13.9825957170       13.0496582605       13.3028168673
  H        15.8482047582       17.5099589783       13.2789568888
      14
 i =      274, E =     -1643.7395875886
 Fe        14.9431763820       15.1729493598       14.3596739008
  O        15.0583954381       16.9382924729       13.2986819517
  H        14.2647325331       17.4870683208       13.1575020196
  O        14.9442960736       13.1946468923       13.4210729780
  H        15.2833840394       12.4091623501       13.8913661531
  O        17.0523308400       15.1758010453       13.8847096168
  H        17.4977869743       14.6258114205       13.2139190174
  O        13.1662145007       15.0605732061       14.2311498695
  H        12.4475082989       15.1608923325       14.8782006648
  O        15.5279479537       15.1771532075       16.0866001339
  H        15.0215760472       15.2774324754       16.9117365822
  H        17.5352719882       15.0613226804       14.7269897949
  H        13.9825965112       13.0496577299       13.3028159183
  H        15.8482218695       17.5099388284       13.2789583873
      14
 i =      275, E =     -1643.7395875181
 Fe        14.9431750394       15.1729489079       14.3596719885
  O        15.0583973991       16.9382943118       13.2986835599
  H        14.2647535195       17.4871211553       13.1575946389
  O        14.9442969771       13.1946467678       13.4210725871
  H        15.2833888775       12.4091568470       13.8913527355
  O        17.0523308046       15.1758014902       13.8847097788
  H        17.4977813376       14.6258084995       13.2139167463
  O        13.1662171239       15.0605728913       14.2311467591
  H        12.4474487198       15.1608883517       14.8781278173
  O        15.5279471715       15.1771529929       16.0866018423
  H        15.0215524465       15.2774023887       16.9117278369
  H        17.5352732429       15.0613194519       14.7269873874
  H        13.9825971162       13.0496567148       13.3028143500
  H        15.8482482880       17.5099079745       13.2789605633
      14
 i =      276, E =     -1643.7395875386
 Fe        14.9431750976       15.1729488327       14.3596742402
  O        15.0583987385       16.9382954389       13.2986844958
  H        14.2647668230       17.4871548631       13.1576535969
  O        14.9442971645       13.1946467836       13.4210721955
  H        15.2833919962       12.4091532418       13.8913443386
  O        17.0523307052       15.1758016269       13.8847092059
  H        17.4977776377       14.6258068016       13.2139155318
  O        13.1662184144       15.0605727389       14.2311451452
  H        12.4474110233       15.1608858363       14.8780810593
  O        15.5279467772       15.1771528473       16.0866024255
  H        15.0215372529       15.2773832761       16.9117224986
  H        17.5352742102       15.0613173683       14.7269862064
  H        13.9825977339       13.0496561226       13.3028133788
  H        15.8482651055       17.5098883056       13.2789619919
      14
 i =      277, E =     -1643.7395874748
 Fe        14.9431737571       15.1729485446       14.3596728945
  O        15.0584010446       16.9382975183       13.2986859951
  H        14.2647932241       17.4872211677       13.1577697384
  O        14.9442975242       13.1946469386       13.4210716663
  H        15.2833980173       12.4091462037       13.8913278004
  O        17.0523304563       15.1758018559       13.8847083183
  H        17.4977703302       14.6258035184       13.2139132660
  O        13.1662223890       15.0605723704       14.2311417917
  H        12.4473358601       15.1608810463       14.8779893857
  O        15.5279467053       15.1771527364       16.0866040930
  H        15.0215071092       15.2773456618       16.9117125942
  H        17.5352761473       15.0613132910       14.7269836953
  H        13.9825990162       13.0496549871       13.3028114822
  H        15.8482981516       17.5098495394       13.2789647395
      14
 i =      278, E =     -1643.7395877673
 Fe        14.9431737445       15.1729483148       14.3596724212
  O        15.0584019411       16.9382985386       13.2986865973
  H        14.2648069235       17.4872555144       13.1578298625
  O        14.9442974427       13.1946471299       13.4210713094
  H        15.2834011657       12.4091424298       13.8913193925
  O        17.0523303333       15.1758019387       13.8847074821
  H        17.4977664877       14.6258019143       13.2139121889
  O        13.1662244596       15.0605721971       14.2311404170
  H        12.4472967741       15.1608786495       14.8779417744
  O        15.5279461045       15.1771529130       16.0866059442
  H        15.0214920406       15.2773260849       16.9117065554
  H        17.5352772703       15.0613111872       14.7269826944
  H        13.9825998593       13.0496544216       13.3028104992
  H        15.8483154656       17.5098295266       13.2789660593
      14
 i =      279, E =     -1643.7395878190
 Fe        14.9431731594       15.1729481184       14.3596740726
  O        15.0584042902       16.9383002034       13.2986873539
  H        14.2648284956       17.4873105825       13.1579259083
  O        14.9442982205       13.1946471120       13.4210711359
  H        15.2834059660       12.4091368370       13.8913057574
  O        17.0523301792       15.1758023724       13.8847074537
  H        17.4977606517       14.6257989895       13.2139101139
  O        13.1662275138       15.0605719912       14.2311386271
  H        12.4472346226       15.1608748281       14.8778651692
  O        15.5279459895       15.1771530223       16.0866071564
  H        15.0214671182       15.2772949606       16.9116982334
  H        17.5352786754       15.0613079304       14.7269803788
  H        13.9826005918       13.0496534669       13.3028088758
  H        15.8483425836       17.5097972575       13.2789683314
      14
 i =      280, E =     -1643.7395878989
 Fe        14.9431721735       15.1729478222       14.3596712229
  O        15.0584062393       16.9383018785       13.2986884817
  H        14.2648509398       17.4873672457       13.1580249531
  O        14.9442984341       13.1946473263       13.4210706040
  H        15.2834110170       12.4091307691       13.8912920015
  O        17.0523300258       15.1758026337       13.8847064746
  H        17.4977544564       14.6257961771       13.2139082213
  O        13.1662306554       15.0605717318       14.2311361791
  H        12.4471703267       15.1608710242       14.8777861725
  O        15.5279450029       15.1771531345       16.0866098417
  H        15.0214421314       15.2772627803       16.9116884976
  H        17.5352803852       15.0613045351       14.7269785371
  H        13.9826017149       13.0496525967       13.3028072263
  H        15.8483709414       17.5097642420       13.2789707492
      14
 i =      281, E =     -1643.7395877986
 Fe        14.9431722961       15.1729477481       14.3596741926
  O        15.0584076833       16.9383026619       13.2986889935
  H        14.2648611336       17.4873939380       13.1580712965
  O        14.9442990455       13.1946471679       13.4210704670
  H        15.2834133130       12.4091281652       13.8912855195
  O        17.0523300598       15.1758029768       13.8847066305
  H        17.4977517488       14.6257945953       13.2139070793
  O        13.1662314921       15.0605716516       14.2311353073
  H        12.4471405694       15.1608692492       14.8777486958
  O        15.5279443561       15.1771531161       16.0866105491
  H        15.0214303728       15.2772476930       16.9116837330
  H        17.5352809128       15.0613030100       14.7269773857
  H        13.9826018308       13.0496521693       13.3028064100
  H        15.8483841278       17.5097487225       13.2789721181
      14
 i =      282, E =     -1643.7395880451
 Fe        14.9431713449       15.1729475435       14.3596720129
  O        15.0584092075       16.9383041260       13.2986901850
  H        14.2648775816       17.4874350458       13.1581432836
  O        14.9442991888       13.1946472800       13.4210699941
  H        15.2834169653       12.4091237622       13.8912756666
  O        17.0523299684       15.1758031519       13.8847058766
  H        17.4977472609       14.6257925147       13.2139057218
  O        13.1662337855       15.0605714013       14.2311328900
  H        12.4470935184       15.1608666388       14.8776912176
  O        15.5279438871       15.1771529489       16.0866117377
  H        15.0214118751       15.2772243713       16.9116770258
  H        17.5352821378       15.0613005676       14.7269761245
  H        13.9826026370       13.0496516055       13.3028052015
  H        15.8484047678       17.5097247351       13.2789741121
      14
 i =      283, E =     -1643.7395883121
 Fe        14.9431713619       15.1729472704       14.3596756601
  O        15.0584114114       16.9383059953       13.2986915650
  H        14.2648997351       17.4874908709       13.1582407614
  O        14.9442997149       13.1946472582       13.4210695607
  H        15.2834217800       12.4091180450       13.8912622636
  O        17.0523299042       15.1758034899       13.8847054128
  H        17.4977413098       14.6257895724       13.2139037944
  O        13.1662365843       15.0605711078       14.2311300454
  H        12.4470297597       15.1608631622       14.8776130305
  O        15.5279431495       15.1771528311       16.0866128767
  H        15.0213868049       15.2771927620       16.9116678328
  H        17.5352835679       15.0612973276       14.7269740899
  H        13.9826035045       13.0496507952       13.3028035252
  H        15.8484326794       17.5096921886       13.2789768624
      14
 i =      284, E =     -1643.7395881568
 Fe        14.9431694850       15.1729470391       14.3596734360
  O        15.0584138718       16.9383080578       13.2986928274
  H        14.2649262543       17.4875574013       13.1583569693
  O        14.9443004135       13.1946471790       13.4210692768
  H        15.2834273632       12.4091114308       13.8912462830
  O        17.0523297922       15.1758039735       13.8847052136
  H        17.4977343129       14.6257859657       13.2139014903
  O        13.1662402840       15.0605708112       14.2311272428
  H        12.4469536913       15.1608591384       14.8775194793
  O        15.5279430128       15.1771528277       16.0866147766
  H        15.0213566356       15.2771551568       16.9116575610
  H        17.5352851961       15.0612935274       14.7269714164
  H        13.9826045146       13.0496498558       13.3028015342
  H        15.8484658262       17.5096533138       13.2789801476
      14
 i =      285, E =     -1643.7395882176
 Fe        14.9431704470       15.1729466422       14.3596768868
  O        15.0584171313       16.9383104611       13.2986949950
  H        14.2649549190       17.4876298786       13.1584832093
  O        14.9443007321       13.1946474238       13.4210683999
  H        15.2834335450       12.4091038930       13.8912293437
  O        17.0523295201       15.1758042557       13.8847037159
  H        17.4977265444       14.6257822706       13.2138992820
  O        13.1662429737       15.0605704692       14.2311236476
  H        12.4468712473       15.1608548800       14.8774171521
  O        15.5279415376       15.1771526025       16.0866172775
  H        15.0213244663       15.2771142208       16.9116451783
  H        17.5352872367       15.0612893537       14.7269692507
  H        13.9826058109       13.0496489104       13.3027993845
  H        15.8485019773       17.5096110801       13.2789839329
      14
 i =      286, E =     -1643.7395879925
 Fe        14.9431685510       15.1729465645       14.3596718033
  O        15.0584175938       16.9383110839       13.2986951056
  H        14.2649654716       17.4876561155       13.1585290952
  O        14.9443007396       13.1946475218       13.4210681683
  H        15.2834357656       12.4091011639       13.8912232537
  O        17.0523294381       15.1758045072       13.8847031713
  H        17.4977237743       14.6257808326       13.2138983725
  O        13.1662449028       15.0605704148       14.2311229787
  H        12.4468412785       15.1608533856       14.8773796177
  O        15.5279412615       15.1771527798       16.0866186273
  H        15.0213128064       15.2770992763       16.9116406113
  H        17.5352880352       15.0612878491       14.7269686332
  H        13.9826063768       13.0496486427       13.3027986187
  H        15.8485153733       17.5095958702       13.2789853813
      14
 i =      287, E =     -1643.7395883871
 Fe        14.9431680959       15.1729464066       14.3596745672
  O        15.0584191089       16.9383124665       13.2986957749
  H        14.2649806983       17.4876943969       13.1585958771
  O        14.9443013537       13.1946472602       13.4210678774
  H        15.2834388933       12.4090974828       13.8912143014
  O        17.0523294713       15.1758049777       13.8847032884
  H        17.4977199299       14.6257785157       13.2138967915
  O        13.1662465999       15.0605703249       14.2311218564
  H        12.4467980114       15.1608512000       14.8773247234
  O        15.5279412776       15.1771527010       16.0866190378
  H        15.0212951794       15.2770776920       16.9116348652
  H        17.5352888509       15.0612857473       14.7269671819
  H        13.9826067778       13.0496482365       13.3027974836
  H        15.8485345372       17.5095734340       13.2789874888
      14
 i =      288, E =     -1643.7395884921
 Fe        14.9431678199       15.1729462112       14.3596739798
  O        15.0584214172       16.9383140891       13.2986968364
  H        14.2650019132       17.4877479883       13.1586891489
  O        14.9443018172       13.1946473621       13.4210674764
  H        15.2834432574       12.4090921598       13.8912019282
  O        17.0523295079       15.1758051979       13.8847027025
  H        17.4977142825       14.6257756718       13.2138951424
  O        13.1662504178       15.0605699449       14.2311186624
  H        12.4467358669       15.1608484349       14.8772492736
  O        15.5279406463       15.1771526972       16.0866208195
  H        15.0212711688       15.2770474616       16.9116260164
  H        17.5352901042       15.0612827871       14.7269652856
  H        13.9826075548       13.0496476176       13.3027958875
  H        15.8485611579       17.5095421120       13.2789904605
      14
 i =      289, E =     -1643.7395885401
 Fe        14.9431665425       15.1729456953       14.3596724267
  O        15.0584226581       16.9383155702       13.2986966253
  H        14.2650255050       17.4878065187       13.1587916222
  O        14.9443018417       13.1946478570       13.4210672369
  H        15.2834480156       12.4090861136       13.8911884983
  O        17.0523293919       15.1758053464       13.8847015860
  H        17.4977079571       14.6257727843       13.2138936550
  O        13.1662558065       15.0605696480       14.2311169688
  H        12.4466673401       15.1608455074       14.8771660290
  O        15.5279402068       15.1771533303       16.0866231446
  H        15.0212449822       15.2770141914       16.9116159164
  H        17.5352917304       15.0612795322       14.7269635251
  H        13.9826087516       13.0496469990       13.3027941613
  H        15.8485906125       17.5095080032       13.2789935068
      14
 i =      290, E =     -1643.7395880459
 Fe        14.9431657969       15.1729460639       14.3596722912
  O        15.0584159857       16.9383112323       13.2986985057
  H        14.2649550378       17.4876269983       13.1584790666
  O        14.9443006863       13.1946469931       13.4210671600
  H        15.2834339931       12.4091038810       13.8912296261
  O        17.0523300266       15.1758040959       13.8847030452
  H        17.4977266867       14.6257821516       13.2138987564
  O        13.1662412923       15.0605702350       14.2311187081
  H        12.4468757240       15.1608543011       14.8774225001
  O        15.5279403359       15.1771510161       16.0866181439
  H        15.0213257341       15.2771156197       16.9116457313
  H        17.5352871403       15.0612892322       14.7269694737
  H        13.9826056645       13.0496489114       13.3027995339
  H        15.8485024221       17.5096131715       13.2789844774
      14
 i =      291, E =     -1643.7395881137
 Fe        14.9431704872       15.1729467152       14.3596739864
  O        15.0584192271       16.9383124211       13.2986986091
  H        14.2649704581       17.4876681336       13.1585497414
  O        14.9443013689       13.1946468416       13.4210672864
  H        15.2834372255       12.4091000894       13.8912199775
  O        17.0523297035       15.1758046491       13.8847033627
  H        17.4977226162       14.6257797169       13.2138971770
  O        13.1662424672       15.0605701897       14.2311187404
  H        12.4468299158       15.1608519101       14.8773640956
  O        15.5279403294       15.1771512339       16.0866181652
  H        15.0213070976       15.2770927010       16.9116395487
  H        17.5352879835       15.0612869620       14.7269677909
  H        13.9826060764       13.0496483515       13.3027982673
  H        15.8485219681       17.5095889312       13.2789868165
      14
 i =      292, E =     -1643.7395883008
 Fe        14.9431669174       15.1729462032       14.3596724110
  O        15.0584202159       16.9383134862       13.2986985675
  H        14.2649865257       17.4877080523       13.1586195868
  O        14.9443015345       13.1946470554       13.4210671521
  H        15.2834404956       12.4090960414       13.8912106966
  O        17.0523297263       15.1758047726       13.8847027840
  H        17.4977183212       14.6257776874       13.2138960500
  O        13.1662464014       15.0605699905       14.2311172740
  H        12.4467835265       15.1608498008       14.8773077374
  O        15.5279399444       15.1771515744       16.0866196708
  H        15.0212892805       15.2770700654       16.9116326793
  H        17.5352890227       15.0612847113       14.7269664368
  H        13.9826068035       13.0496479229       13.3027970968
  H        15.8485421457       17.5095657247       13.2789889798
      14
 i =      293, E =     -1643.7395883248
 Fe        14.9431682699       15.1729461653       14.3596742669
  O        15.0584216049       16.9383145382       13.2986986400
  H        14.2650012026       17.4877450777       13.1586840517
  O        14.9443017773       13.1946471856       13.4210670158
  H        15.2834434852       12.4090923591       13.8912021547
  O        17.0523296020       15.1758050256       13.8847024272
  H        17.4977144535       14.6257757026       13.2138949059
  O        13.1662486357       15.0605698515       14.2311164824
  H        12.4467409735       15.1608478455       14.8772550631
  O        15.5279396343       15.1771518664       16.0866205503
  H        15.0212726925       15.2770491478       16.9116264322
  H        17.5352899241       15.0612826527       14.7269651729
  H        13.9826073928       13.0496474858       13.3027959846
  H        15.8485605376       17.5095440790       13.2789910070
      14
 i =      294, E =     -1643.7395885133
 Fe        14.9431668046       15.1729459744       14.3596718903
  O        15.0584233163       16.9383157938       13.2986991892
  H        14.2650173538       17.4877856000       13.1587546348
  O        14.9443020387       13.1946472770       13.4210667959
  H        15.2834467354       12.4090883401       13.8911928450
  O        17.0523294608       15.1758052806       13.8847019428
  H        17.4977102148       14.6257735259       13.2138936703
  O        13.1662511226       15.0605696943       14.2311150605
  H        12.4466944072       15.1608457495       14.8771973019
  O        15.5279394460       15.1771519473       16.0866217009
  H        15.0212544038       15.2770263031       16.9116199018
  H        17.5352909743       15.0612804008       14.7269638827
  H        13.9826081028       13.0496470629       13.3027947849
  H        15.8485806629       17.5095203918       13.2789933328
      14
 i =      295, E =     -1643.7395884173
 Fe        14.9431668201       15.1729457901       14.3596745145
  O        15.0584245415       16.9383169021       13.2986995099
  H        14.2650325009       17.4878234094       13.1588205570
  O        14.9443022960       13.1946473472       13.4210665781
  H        15.2834497522       12.4090846031       13.8911842083
  O        17.0523293617       15.1758055442       13.8847015645
  H        17.4977062900       14.6257714640       13.2138924973
  O        13.1662533587       15.0605695726       14.2311140685
  H        12.4466509455       15.1608438314       14.8771430982
  O        15.5279392173       15.1771521245       16.0866225451
  H        15.0212373136       15.2770049466       16.9116137047
  H        17.5352919108       15.0612783280       14.7269626635
  H        13.9826087286       13.0496466875       13.3027936702
  H        15.8485996082       17.5094983236       13.2789954662
      14
 i =      296, E =     -1643.7395884848
 Fe        14.9431662890       15.1729456569       14.3596716385
  O        15.0584262955       16.9383180786       13.2987001159
  H        14.2650484582       17.4878636368       13.1588904812
  O        14.9443026655       13.1946474530       13.4210663773
  H        15.2834529088       12.4090806559       13.8911750714
  O        17.0523293238       15.1758057624       13.8847011965
  H        17.4977020899       14.6257693127       13.2138913242
  O        13.1662560686       15.0605693314       14.2311121807
  H        12.4466041433       15.1608419318       14.8770859689
  O        15.5279387417       15.1771522545       16.0866241372
  H        15.0212194089       15.2769822522       16.9116067903
  H        17.5352928650       15.0612761437       14.7269612797
  H        13.9826093248       13.0496462770       13.3027924568
  H        15.8486195431       17.5094748198       13.2789978214
      14
 i =      297, E =     -1643.7395887225
 Fe        14.9431661480       15.1729454442       14.3596749777
  O        15.0584275579       16.9383191893       13.2987005232
  H        14.2650634161       17.4879010355       13.1589555928
  O        14.9443029322       13.1946475395       13.4210661464
  H        15.2834558390       12.4090769860       13.8911666295
  O        17.0523292906       15.1758059951       13.8847008136
  H        17.4976982144       14.6257672856       13.2138902218
  O        13.1662583304       15.0605691533       14.2311108128
  H        12.4465606764       15.1608401934       14.8770324609
  O        15.5279382711       15.1771524166       16.0866250794
  H        15.0212026610       15.2769611205       16.9116003388
  H        17.5352937309       15.0612741292       14.7269600444
  H        13.9826099032       13.0496459050       13.3027913272
  H        15.8486382540       17.5094529978       13.2789999957
      14
 i =      298, E =     -1643.7395885968
 Fe        14.9431650096       15.1729452911       14.3596760216
  O        15.0584296164       16.9383207191       13.2987014284
  H        14.2650834811       17.4879512006       13.1590428704
  O        14.9443032731       13.1946476263       13.4210658366
  H        15.2834597251       12.4090720912       13.8911553517
  O        17.0523291256       15.1758063317       13.8847002547
  H        17.4976930273       14.6257645436       13.2138887548
  O        13.1662610166       15.0605689422       14.2311088675
  H        12.4465025894       15.1608378916       14.8769603671
  O        15.5279380759       15.1771524410       16.0866266258
  H        15.0211799650       15.2769328600       16.9115922540
  H        17.5352949824       15.0612714242       14.7269584791
  H        13.9826107562       13.0496454618       13.3027898257
  H        15.8486632008       17.5094236695       13.2790030202
      14
 i =      299, E =     -1643.7395888475
 Fe        14.9431639091       15.1729445540       14.3596739056
  O        15.0584356914       16.9383254449       13.2987063640
  H        14.2651379567       17.4880863182       13.1592780149
  O        14.9443045010       13.1946476471       13.4210645872
  H        15.2834701274       12.4090589470       13.8911252126
  O        17.0523287546       15.1758071759       13.8846989596
  H        17.4976791118       14.6257570192       13.2138846721
  O        13.1662666939       15.0605682275       14.2311008300
  H        12.4463457464       15.1608319664       14.8767659590
  O        15.5279359984       15.1771516686       16.0866320638
  H        15.0211194356       15.2768567375       16.9115694243
  H        17.5352981819       15.0612642068       14.7269541958
  H        13.9826129222       13.0496443419       13.3027857324
  H        15.8487309691       17.5093448783       13.2790115938
      14
 i =      300, E =     -1643.7395892118
 Fe        14.9431631023       15.1729444937       14.3596746303
  O        15.0584360821       16.9383258707       13.2987051421
  H        14.2651502655       17.4881172062       13.1593318041
  O        14.9443046919       13.1946478374       13.4210646261
  H        15.2834724197       12.4090559933       13.8911184494
  O        17.0523288129       15.1758074418       13.8846985815
  H        17.4976759060       14.6257553209       13.2138839023
  O        13.1662698015       15.0605681650       14.2311012431
  H        12.4463093661       15.1608307661       14.8767208055
  O        15.5279364187       15.1771522686       16.0866325387
  H        15.0211051406       15.2768392143       16.9115646225
  H        17.5352989021       15.0612625913       14.7269532731
  H        13.9826133527       13.0496441383       13.3027847925
  H        15.8487465402       17.5093269618       13.2790136948
      14
 i =      301, E =     -1643.7395890428
 Fe        14.9431622313       15.1729442034       14.3596716335
  O        15.0584383504       16.9383277764       13.2987059016
  H        14.2651728561       17.4881731046       13.1594290190
  O        14.9443050156       13.1946479265       13.4210642708
  H        15.2834765373       12.4090506835       13.8911062603
  O        17.0523287713       15.1758077705       13.8846980944
  H        17.4976701747       14.6257522166       13.2138824343
  O        13.1662738135       15.0605678688       14.2310987511
  H        12.4462432933       15.1608287235       14.8766397989
  O        15.5279362859       15.1771523739       16.0866336992
  H        15.0210795146       15.2768077041       16.9115558305
  H        17.5353001289       15.0612597097       14.7269514563
  H        13.9826143250       13.0496437788       13.3027831003
  H        15.8487743482       17.5092941674       13.2790174558
      14
 i =      302, E =     -1643.7395890629
 Fe        14.9431623907       15.1729440345       14.3596747080
  O        15.0584399291       16.9383290864       13.2987064094
  H        14.2651891025       17.4882131914       13.1594986350
  O        14.9443052995       13.1946479868       13.4210640642
  H        15.2834794027       12.4090469622       13.8910975572
  O        17.0523286609       15.1758079199       13.8846976645
  H        17.4976660430       14.6257500847       13.2138815661
  O        13.1662762715       15.0605676423       14.2310970386
  H        12.4461956549       15.1608273422       14.8765815658
  O        15.5279363881       15.1771524476       16.0866341454
  H        15.0210609445       15.2767851445       16.9115498970
  H        17.5353010361       15.0612576516       14.7269501235
  H        13.9826150097       13.0496434964       13.3027818743
  H        15.8487942379       17.5092706726       13.2790201804
      14
 i =      303, E =     -1643.7395891901
 Fe        14.9431610536       15.1729438374       14.3596755923
  O        15.0584422004       16.9383307490       13.2987071843
  H        14.2652144415       17.4882760098       13.1596075532
  O        14.9443057259       13.1946482285       13.4210637384
  H        15.2834838930       12.4090410549       13.8910840584
  O        17.0523283968       15.1758083402       13.8846970195
  H        17.4976596747       14.6257466061       13.2138800531
  O        13.1662798231       15.0605673664       14.2310948957
  H        12.4461213967       15.1608252212       14.8764898424
  O        15.5279357316       15.1771528010       16.0866370046
  H        15.0210327624       15.2767496662       16.9115392745
  H        17.5353025074       15.0612544551       14.7269481863
  H        13.9826160432       13.0496430827       13.3027799396
  H        15.8488255425       17.5092339982       13.2790244202
      14
 i =      304, E =     -1643.7395891358
 Fe        14.9431600400       15.1729435096       14.3596761730
  O        15.0584444919       16.9383325546       13.2987096198
  H        14.2652341240       17.4883248148       13.1596919495
  O        14.9443062326       13.1946478982       13.4210630058
  H        15.2834874325       12.4090365346       13.8910737794
  O        17.0523284408       15.1758088699       13.8846967073
  H        17.4976548520       14.6257436052       13.2138784851
  O        13.1662804888       15.0605672753       14.2310925336
  H        12.4460649621       15.1608235603       14.8764175290
  O        15.5279344551       15.1771524506       16.0866397914
  H        15.0210110929       15.2767221101       16.9115303650
  H        17.5353035281       15.0612520209       14.7269468059
  H        13.9826167971       13.0496429453       13.3027784588
  H        15.8488503997       17.5092056400       13.2790280511
      14
 i =      305, E =     -1643.7395893755
 Fe        14.9431604778       15.1729434492       14.3596762916
  O        15.0584451400       16.9383330841       13.2987091563
  H        14.2652446284       17.4883508470       13.1597371604
  O        14.9443065336       13.1946482140       13.4210630976
  H        15.2834892168       12.4090340783       13.8910682474
  O        17.0523283505       15.1758089738       13.8846964481
  H        17.4976521825       14.6257422052       13.2138779487
  O        13.1662836508       15.0605670266       14.2310914253
  H        12.4460330555       15.1608229169       14.8763799531
  O        15.5279345262       15.1771527944       16.0866401629
  H        15.0209991286       15.2767074164       16.9115262228
  H        17.5353041122       15.0612507356       14.7269459653
  H        13.9826170243       13.0496427722       13.3027776221
  H        15.8488633115       17.5091903639       13.2790297681
      14
 i =      306, E =     -1643.7395895129
 Fe        14.9431583776       15.1729429999       14.3596739991
  O        15.0584476085       16.9383351072       13.2987079566
  H        14.2652791509       17.4884364304       13.1598858879
  O        14.9443068974       13.1946487204       13.4210631200
  H        15.2834950980       12.4090260901       13.8910501222
  O        17.0523281780       15.1758095458       13.8846955816
  H        17.4976434949       14.6257374203       13.2138760081
  O        13.1662910218       15.0605667045       14.2310907140
  H        12.4459310392       15.1608204792       14.8762534913
  O        15.5279351836       15.1771537432       16.0866424607
  H        15.0209595980       15.2766591400       16.9115129823
  H        17.5353060830       15.0612465222       14.7269434546
  H        13.9826184665       13.0496424202       13.3027750042
  H        15.8489057932       17.5091401711       13.2790355693
      14
 i =      307, E =     -1643.7395894864
 Fe        14.9431601664       15.1729429625       14.3596732828
  O        15.0584510282       16.9383369781       13.2987101905
  H        14.2652986026       17.4884856365       13.1599705108
  O        14.9443074413       13.1946486835       13.4210626511
  H        15.2834984099       12.4090216404       13.8910399212
  O        17.0523281510       15.1758097429       13.8846951938
  H        17.4976385739       14.6257346515       13.2138748903
  O        13.1662924903       15.0605663531       14.2310871039
  H        12.4458722802       15.1608193095       14.8761813512
  O        15.5279337902       15.1771534012       16.0866441175
  H        15.0209376810       15.2766315227       16.9115041557
  H        17.5353070196       15.0612441753       14.7269419015
  H        13.9826191184       13.0496422049       13.3027734413
  H        15.8489297375       17.5091111997       13.2790392628
      14
 i =      308, E =     -1643.7395895500
 Fe        14.9431548344       15.1729422422       14.3596738171
  O        15.0584529202       16.9383398141       13.2987128348
  H        14.2653330920       17.4885682236       13.1601143356
  O        14.9443080381       13.1946487270       13.4210618443
  H        15.2835039903       12.4090140577       13.8910227866
  O        17.0523280267       15.1758102422       13.8846943190
  H        17.4976303229       14.6257298423       13.2138729503
  O        13.1662969278       15.0605658936       14.2310817379
  H        12.4457724236       15.1608174819       14.8760585448
  O        15.5279325284       15.1771529840       16.0866458644
  H        15.0208997961       15.2765847416       16.9114902563
  H        17.5353087612       15.0612401948       14.7269395442
  H        13.9826204279       13.0496419691       13.3027708432
  H        15.8489720462       17.5090631414       13.2790455252
      14
 i =      309, E =     -1643.7395896211
 Fe        14.9431576087       15.1729423185       14.3596730722
  O        15.0584543031       16.9383406028       13.2987130921
  H        14.2653441912       17.4885962139       13.1601624320
  O        14.9443082310       13.1946487776       13.4210616881
  H        15.2835058374       12.4090115210       13.8910171268
  O        17.0523279453       15.1758105035       13.8846941258
  H        17.4976275976       14.6257281670       13.2138722596
  O        13.1662977931       15.0605658302       14.2310817523
  H        12.4457392371       15.1608168802       14.8760162751
  O        15.5279322405       15.1771532429       16.0866468603
  H        15.0208871797       15.2765689083       16.9114852093
  H        17.5353092984       15.0612388995       14.7269387613
  H        13.9826208258       13.0496418885       13.3027699336
  H        15.8489859048       17.5090467274       13.2790476840
      14
 i =      310, E =     -1643.7395896026
 Fe        14.9431560886       15.1729420574       14.3596739415
  O        15.0584571862       16.9383424955       13.2987140006
  H        14.2653690972       17.4886583191       13.1602693814
  O        14.9443086951       13.1946488467       13.4210612989
  H        15.2835098654       12.4090059659       13.8910045548
  O        17.0523277648       15.1758109895       13.8846934140
  H        17.4976215188       14.6257244996       13.2138708247
  O        13.1663016067       15.0605655482       14.2310793185
  H        12.4456646680       15.1608157172       14.8759236488
  O        15.5279317042       15.1771534046       16.0866484964
  H        15.0208588912       15.2765339709       16.9114747616
  H        17.5353106016       15.0612359998       14.7269371830
  H        13.9826217300       13.0496417819       13.3027679766
  H        15.8490167127       17.5090102678       13.2790523463
      14
 i =      311, E =     -1643.7395898320
 Fe        14.9431564951       15.1729418595       14.3596716475
  O        15.0584596430       16.9383444793       13.2987158891
  H        14.2653935256       17.4887180149       13.1603725174
  O        14.9443092813       13.1946489217       13.4210608077
  H        15.2835136891       12.4090006260       13.8909925560
  O        17.0523277977       15.1758112851       13.8846929909
  H        17.4976156143       14.6257209948       13.2138695396
  O        13.1663045896       15.0605651634       14.2310754919
  H        12.4455921369       15.1608148201       14.8758343858
  O        15.5279306429       15.1771531972       16.0866505297
  H        15.0208318277       15.2765002532       16.9114642414
  H        17.5353116654       15.0612332651       14.7269353731
  H        13.9826225014       13.0496417003       13.3027660675
  H        15.8490467785       17.5089753542       13.2790570533
      14
 i =      312, E =     -1643.7395898368
 Fe        14.9431541541       15.1729414503       14.3596764151
  O        15.0584617209       16.9383462773       13.2987169828
  H        14.2654158472       17.4887724463       13.1604665884
  O        14.9443096315       13.1946489570       13.4210603568
  H        15.2835171272       12.4089958020       13.8909817257
  O        17.0523277592       15.1758116397       13.8846923258
  H        17.4976102691       14.6257177639       13.2138684098
  O        13.1663077997       15.0605648988       14.2310726739
  H        12.4455260728       15.1608141007       14.8757524322
  O        15.5279300218       15.1771530924       16.0866515586
  H        15.0208068156       15.2764695319       16.9114549712
  H        17.5353127220       15.0612307672       14.7269339534
  H        13.9826233207       13.0496417066       13.3027643519
  H        15.8490742477       17.5089435358       13.2790614868
      14
 i =      313, E =     -1643.7395898621
 Fe        14.9431553906       15.1729414998       14.3596727261
  O        15.0584643883       16.9383480884       13.2987188821
  H        14.2654393579       17.4888299953       13.1605657435
  O        14.9443101655       13.1946490572       13.4210599714
  H        15.2835206786       12.4089907191       13.8909703617
  O        17.0523275157       15.1758120787       13.8846919466
  H        17.4976046870       14.6257142550       13.2138671386
  O        13.1663097699       15.0605646338       14.2310698267
  H        12.4454565569       15.1608134013       14.8756652737
  O        15.5279292496       15.1771529139       16.0866540660
  H        15.0207806989       15.2764370959       16.9114449135
  H        17.5353138163       15.0612281611       14.7269323400
  H        13.9826240910       13.0496417253       13.3027624986
  H        15.8491031449       17.5089098365       13.2790661449
      14
 i =      314, E =     -1643.7395900740
 Fe        14.9431530458       15.1729410295       14.3596730551
  O        15.0584655002       16.9383492526       13.2987195515
  H        14.2654540780       17.4888656133       13.1606272198
  O        14.9443104025       13.1946491172       13.4210597109
  H        15.2835228667       12.4089875644       13.8909634003
  O        17.0523274499       15.1758123427       13.8846915010
  H        17.4976012218       14.6257120818       13.2138663725
  O        13.1663120551       15.0605645088       14.2310685687
  H        12.4454132593       15.1608130406       14.8756109392
  O        15.5279290532       15.1771529544       16.0866548243
  H        15.0207642280       15.2764169838       16.9114389360
  H        17.5353145303       15.0612265600       14.7269315228
  H        13.9826246168       13.0496417971       13.3027613620
  H        15.8491212798       17.5088889696       13.2790689796
      14
 i =      315, E =     -1643.7395898914
 Fe        14.9431534485       15.1729409903       14.3596737723
  O        15.0584674864       16.9383508419       13.2987204395
  H        14.2654739351       17.4889138435       13.1607103098
  O        14.9443107366       13.1946491868       13.4210594076
  H        15.2835257588       12.4089833762       13.8909540069
  O        17.0523273679       15.1758126219       13.8846910384
  H        17.4975965119       14.6257091964       13.2138654771
  O        13.1663151845       15.0605642485       14.2310662395
  H        12.4453541255       15.1608126814       14.8755376929
  O        15.5279290080       15.1771529424       16.0866555525
  H        15.0207417369       15.2763898225       16.9114312601
  H        17.5353154322       15.0612244194       14.7269302360
  H        13.9826253407       13.0496418974       13.3027598273
  H        15.8491454707       17.5088605656       13.2790729226
      14
 i =      316, E =     -1643.7395902026
 Fe        14.9431513115       15.1729404537       14.3596716526
  O        15.0584691134       16.9383523210       13.2987192505
  H        14.2654992638       17.4889761954       13.1608179049
  O        14.9443111711       13.1946492175       13.4210591808
  H        15.2835294976       12.4089779474       13.8909419751
  O        17.0523275574       15.1758133078       13.8846905026
  H        17.4975905093       14.6257052600       13.2138640861
  O        13.1663200610       15.0605640034       14.2310660074
  H        12.4452780964       15.1608122761       14.8754419120
  O        15.5279283428       15.1771539145       16.0866591416
  H        15.0207136203       15.2763544061       16.9114194056
  H        17.5353165376       15.0612217030       14.7269287235
  H        13.9826261395       13.0496420860       13.3027578323
  H        15.8491769885       17.5088240966       13.2790779778
      14
 i =      317, E =     -1643.7395902940
 Fe        14.9431530591       15.1729405595       14.3596772788
  O        15.0584722970       16.9383540048       13.2987205860
  H        14.2655194645       17.4890266114       13.1609041396
  O        14.9443115729       13.1946493100       13.4210587597
  H        15.2835324190       12.4089736313       13.8909324232
  O        17.0523276274       15.1758134928       13.8846899419
  H        17.4975855753       14.6257022905       13.2138633148
  O        13.1663232299       15.0605635837       14.2310624263
  H        12.4452155203       15.1608122567       14.8753657948
  O        15.5279279664       15.1771537067       16.0866595864
  H        15.0206901938       15.2763261215       16.9114110834
  H        17.5353173305       15.0612195309       14.7269273646
  H        13.9826268081       13.0496421859       13.3027562098
  H        15.8492017212       17.5087943811       13.2790823986
      14
 i =      318, E =     -1643.7395900781
 Fe        14.9431486384       15.1729401155       14.3596709606
  O        15.0584737588       16.9383555581       13.2987206733
  H        14.2655477502       17.4890943180       13.1610212916
  O        14.9443121043       13.1946496897       13.4210586703
  H        15.2835361967       12.4089678442       13.8909194194
  O        17.0523274414       15.1758138900       13.8846894464
  H        17.4975789612       14.6256982113       13.2138623341
  O        13.1663290520       15.0605631571       14.2310595909
  H        12.4451307148       15.1608123089       14.8752618210
  O        15.5279281890       15.1771540871       16.0866617197
  H        15.0206585458       15.2762877101       16.9114000840
  H        17.5353185769       15.0612166180       14.7269253698
  H        13.9826277794       13.0496424349       13.3027540570
  H        15.8492358877       17.5087546221       13.2790879947
      14
 i =      319, E =     -1643.7395900412
 Fe        14.9431514488       15.1729399006       14.3596732492
  O        15.0584756325       16.9383569258       13.2987227319
  H        14.2655613095       17.4891271318       13.1610774249
  O        14.9443123049       13.1946497243       13.4210582566
  H        15.2835380658       12.4089650043       13.8909133433
  O        17.0523271869       15.1758141462       13.8846891413
  H        17.4975758698       14.6256961314       13.2138616873
  O        13.1663282388       15.0605631474       14.2310584613
  H        12.4450910692       15.1608122304       14.8752103476
  O        15.5279272125       15.1771538256       16.0866632853
  H        15.0206437868       15.2762691568       16.9113937414
  H        17.5353191582       15.0612152169       14.7269246637
  H        13.9826282982       13.0496425336       13.3027529635
  H        15.8492524263       17.5087353237       13.2790909190
      14
 i =      320, E =     -1643.7395903064
 Fe        14.9431494547       15.1729398647       14.3596738587
  O        15.0584775881       16.9383582531       13.2987238863
  H        14.2655764176       17.4891639618       13.1611405213
  O        14.9443126971       13.1946496598       13.4210579760
  H        15.2835400711       12.4089619781       13.8909064451
  O        17.0523271323       15.1758143987       13.8846888095
  H        17.4975723699       14.6256938077       13.2138610280
  O        13.1663305886       15.0605628897       14.2310557719
  H        12.4450450476       15.1608124151       14.8751538041
  O        15.5279268742       15.1771536098       16.0866636916
  H        15.0206265449       15.2762484199       16.9113877407
  H        17.5353197863       15.0612136780       14.7269237688
  H        13.9826287436       13.0496427132       13.3027517656
  H        15.8492707745       17.5087135773       13.2790942018
      14
 i =      321, E =     -1643.7395905278
 Fe        14.9431497962       15.1729395405       14.3596720452
  O        15.0584787699       16.9383596961       13.2987250478
  H        14.2655956324       17.4892094237       13.1612187593
  O        14.9443128855       13.1946498576       13.4210576267
  H        15.2835425602       12.4089580675       13.8908980110
  O        17.0523270115       15.1758146044       13.8846883783
  H        17.4975679575       14.6256910385       13.2138603874
  O        13.1663332361       15.0605626081       14.2310532956
  H        12.4449878146       15.1608126874       14.8750833366
  O        15.5279264896       15.1771536315       16.0866651422
  H        15.0206054271       15.2762226432       16.9113800156
  H        17.5353205792       15.0612117859       14.7269225838
  H        13.9826294887       13.0496429207       13.3027502697
  H        15.8492940315       17.5086868758       13.2790981045
      14
 i =      322, E =     -1643.7395903517
 Fe        14.9431463846       15.1729389908       14.3596733277
  O        15.0584828576       16.9383624545       13.2987277691
  H        14.2656296529       17.4892915319       13.1613592497
  O        14.9443134553       13.1946501135       13.4210571533
  H        15.2835469002       12.4089512142       13.8908828279
  O        17.0523266273       15.1758149387       13.8846876144
  H        17.4975600679       14.6256860657       13.2138593090
  O        13.1663382533       15.0605621766       14.2310485907
  H        12.4448849692       15.1608133042       14.8749559994
  O        15.5279254479       15.1771534089       16.0866675368
  H        15.0205674716       15.2761763046       16.9113658798
  H        17.5353219898       15.0612084216       14.7269205479
  H        13.9826307848       13.0496432754       13.3027475350
  H        15.8493353961       17.5086387054       13.2791054040
      14
 i =      323, E =     -1643.7395906217
 Fe        14.9431489280       15.1729392586       14.3596743788
  O        15.0584845874       16.9383634140       13.2987274009
  H        14.2656434764       17.4893257601       13.1614176523
  O        14.9443140600       13.1946498449       13.4210571231
  H        15.2835485819       12.4089486928       13.8908764966
  O        17.0523267591       15.1758154027       13.8846876591
  H        17.4975569213       14.6256837548       13.2138586746
  O        13.1663392401       15.0605620780       14.2310483529
  H        12.4448426733       15.1608135836       14.8749017944
  O        15.5279253985       15.1771536162       16.0866680874
  H        15.0205513623       15.2761569335       16.9113601012
  H        17.5353223988       15.0612070608       14.7269195270
  H        13.9826310036       13.0496434714       13.3027463684
  H        15.8493522440       17.5086184509       13.2791087651
      14
 i =      324, E =     -1643.7395906466
 Fe        14.9431451489       15.1729386251       14.3596738033
  O        15.0584862801       16.9383651628       13.2987281449
  H        14.2656678052       17.4893834223       13.1615167652
  O        14.9443142090       13.1946501229       13.4210566150
  H        15.2835516221       12.4089438171       13.8908661341
  O        17.0523267696       15.1758158073       13.8846869606
  H        17.4975513886       14.6256801015       13.2138579202
  O        13.1663436276       15.0605616865       14.2310452394
  H        12.4447691649       15.1608143780       14.8748113148
  O        15.5279249156       15.1771537296       16.0866703141
  H        15.0205243797       15.2761240750       16.9113499647
  H        17.5353234009       15.0612047199       14.7269182246
  H        13.9826319452       13.0496439053       13.3027444638
  H        15.8493816102       17.5085845779       13.2791143457
      14
 i =      325, E =     -1643.7395906461
 Fe        14.9431401073       15.1729383751       14.3596733597
  O        15.0584833144       16.9383632504       13.2987271359
  H        14.2656423952       17.4893220511       13.1614121143
  O        14.9443136476       13.1946501890       13.4210567911
  H        15.2835486276       12.4089485371       13.8908772216
  O        17.0523269859       15.1758153421       13.8846871424
  H        17.4975571703       14.6256840326       13.2138586712
  O        13.1663413491       15.0605620655       14.2310479384
  H        12.4448468805       15.1608134688       14.8749078559
  O        15.5279251867       15.1771537357       16.0866689905
  H        15.0205534564       15.2761587633       16.9113599078
  H        17.5353225520       15.0612071406       14.7269199335
  H        13.9826311583       13.0496435578       13.3027465826
  H        15.8493510781       17.5086208435       13.2791082780
      14
 i =      326, E =     -1643.7395906598
 Fe        14.9431547223       15.1729395625       14.3596746570
  O        15.0584856949       16.9383644835       13.2987279371
  H        14.2656602310       17.4893661501       13.1614869070
  O        14.9443142412       13.1946500065       13.4210566384
  H        15.2835508251       12.4089451842       13.8908692129
  O        17.0523265513       15.1758159357       13.8846871779
  H        17.4975531960       14.6256810037       13.2138577838
  O        13.1663399811       15.0605619778       14.2310475451
  H        12.4447931465       15.1608137690       14.8748376969
  O        15.5279248983       15.1771537526       16.0866692128
  H        15.0205327580       15.2761340029       16.9113527532
  H        17.5353231086       15.0612054013       14.7269188020
  H        13.9826315159       13.0496437335       13.3027450637
  H        15.8493728576       17.5085946955       13.2791123707
      14
 i =      327, E =     -1643.7395905267
 Fe        14.9431458274       15.1729387838       14.3596721954
  O        15.0584865549       16.9383652431       13.2987283245
  H        14.2656712900       17.4893927684       13.1615327244
  O        14.9443144710       13.1946500509       13.4210563926
  H        15.2835522276       12.4089428611       13.8908644731
  O        17.0523266672       15.1758161012       13.8846867942
  H        17.4975506213       14.6256792663       13.2138572915
  O        13.1663432333       15.0605617340       14.2310458155
  H        12.4447592409       15.1608142292       14.8747960405
  O        15.5279237921       15.1771538900       16.0866712398
  H        15.0205209025       15.2761187549       16.9113471145
  H        17.5353236159       15.0612043381       14.7269183491
  H        13.9826318009       13.0496441108       13.3027442181
  H        15.8493865647       17.5085791363       13.2791147603
      14
 i =      328, E =     -1643.7395906272
 Fe        14.9431459041       15.1729384950       14.3596745815
  O        15.0584877112       16.9383663571       13.2987290752
  H        14.2656859855       17.4894277318       13.1615925741
  O        14.9443145803       13.1946502812       13.4210560483
  H        15.2835540503       12.4089398667       13.8908583205
  O        17.0523268061       15.1758162431       13.8846863000
  H        17.4975472422       14.6256770858       13.2138568880
  O        13.1663466750       15.0605614684       14.2310434432
  H        12.4447141295       15.1608148703       14.8747414725
  O        15.5279236575       15.1771539601       16.0866721650
  H        15.0205046028       15.2760988891       16.9113407976
  H        17.5353241341       15.0612029666       14.7269175954
  H        13.9826323377       13.0496443717       13.3027430543
  H        15.8494044385       17.5085585430       13.2791179932
      14
 i =      329, E =     -1643.7395907009
 Fe        14.9431471609       15.1729386323       14.3596723763
  O        15.0584897019       16.9383675040       13.2987301444
  H        14.2656984037       17.4894579680       13.1616440287
  O        14.9443149263       13.1946501168       13.4210559409
  H        15.2835554626       12.4089375812       13.8908528602
  O        17.0523267125       15.1758163888       13.8846862771
  H        17.4975443784       14.6256751475       13.2138564998
  O        13.1663470027       15.0605612678       14.2310416531
  H        12.4446761487       15.1608153650       14.8746936552
  O        15.5279235168       15.1771536655       16.0866721923
  H        15.0204901100       15.2760818929       16.9113362407
  H        17.5353245086       15.0612017951       14.7269166977
  H        13.9826327039       13.0496446264       13.3027420376
  H        15.8494193408       17.5085405807       13.2791209090
      14
 i =      330, E =     -1643.7395907341
 Fe        14.9431440380       15.1729381242       14.3596747720
  O        15.0584915104       16.9383691213       13.2987312809
  H        14.2657179658       17.4895043339       13.1617233803
  O        14.9443153338       13.1946501321       13.4210556376
  H        15.2835577058       12.4089338898       13.8908446257
  O        17.0523267201       15.1758166712       13.8846858969
  H        17.4975399867       14.6256721511       13.2138559283
  O        13.1663498512       15.0605610226       14.2310390901
  H        12.4446170220       15.1608162248       14.8746200721
  O        15.5279232075       15.1771535611       16.0866732774
  H        15.0204682123       15.2760555532       16.9113282494
  H        17.5353251856       15.0611999818       14.7269155681
  H        13.9826333121       13.0496450349       13.3027404821
  H        15.8494429273       17.5085132548       13.2791254295
      14
 i =      331, E =     -1643.7395908664
 Fe        14.9431455676       15.1729382069       14.3596720223
  O        15.0584927514       16.9383700288       13.2987323530
  H        14.2657304903       17.4895340750       13.1617741331
  O        14.9443154924       13.1946502968       13.4210553388
  H        15.2835591660       12.4089313973       13.8908394624
  O        17.0523265550       15.1758168541       13.8846855753
  H        17.4975371712       14.6256702211       13.2138555695
  O        13.1663509361       15.0605608253       14.2310371083
  H        12.4445790271       15.1608168539       14.8745728319
  O        15.5279224495       15.1771534767       16.0866746593
  H        15.0204545553       15.2760386291       16.9113226050
  H        17.5353256511       15.0611988202       14.7269149125
  H        13.9826337205       13.0496452989       13.3027394753
  H        15.8494581215       17.5084958079       13.2791283326
      14
 i =      332, E =     -1643.7395911453
 Fe        14.9431392844       15.1729370221       14.3596781622
  O        15.0584993976       16.9383750715       13.2987364828
  H        14.2657923613       17.4896813738       13.1620254704
  O        14.9443167783       13.1946504933       13.4210541983
  H        15.2835661519       12.4089195846       13.8908137790
  O        17.0523263969       15.1758178070       13.8846842063
  H        17.4975233318       14.6256605512       13.2138537068
  O        13.1663591835       15.0605600493       14.2310283381
  H        12.4443908910       15.1608201018       14.8743381911
  O        15.5279204532       15.1771529867       16.0866780101
  H        15.0203854686       15.2759550491       16.9112964492
  H        17.5353277681       15.0611931629       14.7269116121
  H        13.9826355115       13.0496467239       13.3027345010
  H        15.8495330321       17.5084091114       13.2791428113
      14
 i =      333, E =     -1643.7395910919
 Fe        14.9431502359       15.1729383219       14.3596613958
  O        15.0585022705       16.9383769631       13.2987382673
  H        14.2658251448       17.4897586895       13.1621570926
  O        14.9443170171       13.1946508752       13.4210539140
  H        15.2835696191       12.4089134152       13.8908006600
  O        17.0523258857       15.1758184968       13.8846838159
  H        17.4975161241       14.6256552915       13.2138528166
  O        13.1663612291       15.0605597032       14.2310254557
  H        12.4442919686       15.1608221480       14.8742127931
  O        15.5279197667       15.1771530330       16.0866827045
  H        15.0203495047       15.2759110861       16.9112823470
  H        17.5353288498       15.0611902592       14.7269098427
  H        13.9826367033       13.0496475760       13.3027318228
  H        15.8495725651       17.5083636265       13.2791506964
      14
 i =      334, E =     -1643.7395912874
 Fe        14.9431395997       15.1729367036       14.3596756047
  O        15.0585036691       16.9383782417       13.2987384663
  H        14.2658358773       17.4897841672       13.1622004025
  O        14.9443174596       13.1946507552       13.4210537099
  H        15.2835706830       12.4089115380       13.8907963622
  O        17.0523262834       15.1758185460       13.8846834074
  H        17.4975137218       14.6256536413       13.2138526227
  O        13.1663654508       15.0605595179       14.2310235168
  H        12.4442581494       15.1608230931       14.8741721495
  O        15.5279198075       15.1771530271       16.0866815829
  H        15.0203369751       15.2758966263       16.9112782533
  H        17.5353291441       15.0611893527       14.7269093438
  H        13.9826368769       13.0496479272       13.3027309720
  H        15.8495853779       17.5083484459       13.2791533473
      14
 i =      335, E =     -1643.7395910478
 Fe        14.9431425720       15.1729371014       14.3596755576
  O        15.0585053885       16.9383793242       13.2987392206
  H        14.2658534657       17.4898258390       13.1622709798
  O        14.9443177589       13.1946509131       13.4210535420
  H        15.2835724455       12.4089083082       13.8907894348
  O        17.0523261529       15.1758188849       13.8846831854
  H        17.4975098528       14.6256508074       13.2138522493
  O        13.1663672856       15.0605592885       14.2310219384
  H        12.4442041034       15.1608244568       14.8741043516
  O        15.5279193949       15.1771531929       16.0866835128
  H        15.0203174691       15.2758728812       16.9112705760
  H        17.5353296693       15.0611878366       14.7269083587
  H        13.9826373956       13.0496484272       13.3027295102
  H        15.8496065259       17.5083238174       13.2791577012
      14
 i =      336, E =     -1643.7395911357
 Fe        14.9431401168       15.1729366760       14.3596762735
  O        15.0585064447       16.9383800629       13.2987394316
  H        14.2658653034       17.4898537237       13.1623182805
  O        14.9443179429       13.1946510945       13.4210535170
  H        15.2835735729       12.4089061629       13.8907847940
  O        17.0523261188       15.1758190301       13.8846829306
  H        17.4975072167       14.6256489750       13.2138521118
  O        13.1663700288       15.0605590602       14.2310206922
  H        12.4441671568       15.1608255180       14.8740592687
  O        15.5279194396       15.1771533775       16.0866844506
  H        15.0203041718       15.2758569891       16.9112658262
  H        17.5353300607       15.0611868323       14.7269077204
  H        13.9826377682       13.0496487736       13.3027285403
  H        15.8496205835       17.5083072591       13.2791605426
      14
 i =      337, E =     -1643.7395914929
 Fe        14.9431401668       15.1729366219       14.3596754517
  O        15.0585080482       16.9383810656       13.2987401671
  H        14.2658790427       17.4898863437       13.1623734969
  O        14.9443182023       13.1946511374       13.4210533535
  H        15.2835749152       12.4089036614       13.8907794315
  O        17.0523260198       15.1758193133       13.8846826811
  H        17.4975041948       14.6256467172       13.2138517945
  O        13.1663712135       15.0605589443       14.2310195900
  H        12.4441250186       15.1608266514       14.8740055692
  O        15.5279192402       15.1771533693       16.0866857944
  H        15.0202886814       15.2758384125       16.9112600636
  H        17.5353305315       15.0611856611       14.7269070890
  H        13.9826381821       13.0496492397       13.3027274038
  H        15.8496370843       17.5082879172       13.2791640380
      14
 i =      338, E =     -1643.7395912119
 Fe        14.9431395957       15.1729363693       14.3596756969
  O        15.0585093993       16.9383822039       13.2987407471
  H        14.2658955666       17.4899248815       13.1624388497
  O        14.9443183968       13.1946513382       13.4210532378
  H        15.2835764483       12.4089007103       13.8907730992
  O        17.0523259712       15.1758194980       13.8846824147
  H        17.4975005528       14.6256441587       13.2138516216
  O        13.1663744246       15.0605586185       14.2310174332
  H        12.4440735913       15.1608282325       14.8739429216
  O        15.5279193040       15.1771534768       16.0866868387
  H        15.0202700968       15.2758164322       16.9112536923
  H        17.5353310273       15.0611843040       14.7269061789
  H        13.9826387437       13.0496497363       13.3027260458
  H        15.8496566610       17.5082650220       13.2791680766
      14
 i =      339, E =     -1643.7395913730
 Fe        14.9431388302       15.1729362870       14.3596762703
  O        15.0585108888       16.9383831152       13.2987413206
  H        14.2659095004       17.4899580297       13.1624948573
  O        14.9443186993       13.1946513854       13.4210530505
  H        15.2835777827       12.4088981671       13.8907677403
  O        17.0523258312       15.1758198588       13.8846821217
  H        17.4974975282       14.6256417946       13.2138512569
  O        13.1663755989       15.0605585604       14.2310168504
  H        12.4440309401       15.1608294489       14.8738877451
  O        15.5279189191       15.1771535820       16.0866883816
  H        15.0202544521       15.2757975099       16.9112475995
  H        17.5353315422       15.0611831352       14.7269056545
  H        13.9826391244       13.0496502580       13.3027248953
  H        15.8496735155       17.5082453850       13.2791715994
      14
 i =      340, E =     -1643.7395914862
 Fe        14.9431372513       15.1729358476       14.3596746867
  O        15.0585121371       16.9383842755       13.2987400484
  H        14.2659320178       17.4900114108       13.1625855840
  O        14.9443190630       13.1946514667       13.4210528850
  H        15.2835799418       12.4088940354       13.8907591649
  O        17.0523259789       15.1758205611       13.8846817201
  H        17.4974926171       14.6256379045       13.2138506295
  O        13.1663808905       15.0605582849       14.2310170831
  H        12.4439607213       15.1608316467       14.8737988824
  O        15.5279187613       15.1771544928       16.0866915872
  H        15.0202292036       15.2757667779       16.9112373169
  H        17.5353322509       15.0611812885       14.7269047871
  H        13.9826397646       13.0496511458       13.3027230404
  H        15.8497009574       17.5082138523       13.2791772730
      14
 i =      341, E =     -1643.7395916562
 Fe        14.9431392598       15.1729360139       14.3596725442
  O        15.0585156700       16.9383858550       13.2987412511
  H        14.2659517527       17.4900596513       13.1626664601
  O        14.9443194816       13.1946515736       13.4210525745
  H        15.2835817850       12.4088903981       13.8907515579
  O        17.0523260711       15.1758207470       13.8846812845
  H        17.4974880699       14.6256346475       13.2138504273
  O        13.1663838440       15.0605578462       14.2310137899
  H        12.4438966147       15.1608338755       14.8737200028
  O        15.5279186195       15.1771543179       16.0866920871
  H        15.0202058072       15.2757394453       16.9112293247
  H        17.5353327745       15.0611796539       14.7269038202
  H        13.9826403068       13.0496518824       13.3027213523
  H        15.8497246660       17.5081850160       13.2791826362
      14
 i =      342, E =     -1643.7395915541
 Fe        14.9431363131       15.1729355264       14.3596744542
  O        15.0585160313       16.9383866305       13.2987400814
  H        14.2659693276       17.4901004753       13.1627360070
  O        14.9443197126       13.1946518942       13.4210526998
  H        15.2835832342       12.4088873469       13.8907449883
  O        17.0523259413       15.1758209784       13.8846809545
  H        17.4974842438       14.6256318700       13.2138503761
  O        13.1663884466       15.0605575257       14.2310137058
  H        12.4438415980       15.1608358510       14.8736516879
  O        15.5279191277       15.1771549778       16.0866922738
  H        15.0201856152       15.2757159208       16.9112227195
  H        17.5353333140       15.0611782913       14.7269029691
  H        13.9826408511       13.0496525387       13.3027199493
  H        15.8497454213       17.5081607068       13.2791867966
      14
 i =      343, E =     -1643.7395915224
 Fe        14.9431345593       15.1729352915       14.3596768045
  O        15.0585149282       16.9383868761       13.2987428784
  H        14.2659589460       17.4900735073       13.1626908048
  O        14.9443196755       13.1946514423       13.4210522806
  H        15.2835823416       12.4088893219       13.8907492685
  O        17.0523262535       15.1758206917       13.8846812531
  H        17.4974867232       14.6256336634       13.2138502946
  O        13.1663847348       15.0605577841       14.2310112373
  H        12.4438772472       15.1608345762       14.8736966413
  O        15.5279182808       15.1771538465       16.0866918736
  H        15.0201987606       15.2757312775       16.9112268323
  H        17.5353328831       15.0611791681       14.7269034261
  H        13.9826405039       13.0496521191       13.3027208321
  H        15.8497329989       17.5081770227       13.2791843804
      14
 i =      344, E =     -1643.7395916905
 Fe        14.9431373341       15.1729357000       14.3596722805
  O        15.0585168466       16.9383873189       13.2987435546
  H        14.2659664273       17.4900925674       13.1627222790
  O        14.9443197828       13.1946515362       13.4210521468
  H        15.2835830579       12.4088878851       13.8907463553
  O        17.0523259544       15.1758209371       13.8846810041
  H        17.4974850331       14.6256322704       13.2138501230
  O        13.1663842087       15.0605577386       14.2310106428
  H        12.4438530229       15.1608353681       14.8736648975
  O        15.5279178230       15.1771537704       16.0866928024
  H        15.0201899303       15.2757205434       16.9112232737
  H        17.5353331986       15.0611784964       14.7269032451
  H        13.9826407348       13.0496524261       13.3027201687
  H        15.8497421095       17.5081656262       13.2791865431
      14
 i =      345, E =     -1643.7395916074
 Fe        14.9431365635       15.1729354425       14.3596747617
  O        15.0585181847       16.9383884323       13.2987441756
  H        14.2659824753       17.4901300463       13.1627855537
  O        14.9443200580       13.1946516134       13.4210519579
  H        15.2835844239       12.4088851007       13.8907404686
  O        17.0523258959       15.1758211856       13.8846807569
  H        17.4974815880       14.6256296062       13.2138498887
  O        13.1663865943       15.0605575233       14.2310089011
  H        12.4438031258       15.1608371838       14.8736022859
  O        15.5279173607       15.1771538486       16.0866936294
  H        15.0201718979       15.2756990526       16.9112164414
  H        17.5353336310       15.0611772471       14.7269025308
  H        13.9826411953       13.0496530719       13.3027188561
  H        15.8497613222       17.5081433739       13.2791906688
      14
 i =      346, E =     -1643.7395916093
 Fe        14.9431360777       15.1729352860       14.3596711502
  O        15.0585191466       16.9383895358       13.2987447204
  H        14.2659967223       17.4901624153       13.1628404266
  O        14.9443202229       13.1946517107       13.4210519173
  H        15.2835855180       12.4088827467       13.8907353213
  O        17.0523259284       15.1758212385       13.8846806737
  H        17.4974785265       14.6256274198       13.2138498794
  O        13.1663897359       15.0605571979       14.2310068033
  H        12.4437587236       15.1608389544       14.8735485864
  O        15.5279173449       15.1771539608       16.0866945382
  H        15.0201560805       15.2756804402       16.9112109249
  H        17.5353339341       15.0611762043       14.7269016505
  H        13.9826417097       13.0496535884       13.3027177030
  H        15.8497778821       17.5081240193       13.2791941324
      14
 i =      347, E =     -1643.7395916802
 Fe        14.9431345306       15.1729348035       14.3596743234
  O        15.0585209970       16.9383908450       13.2987445894
  H        14.2660192428       17.4902148214       13.1629288838
  O        14.9443205320       13.1946519544       13.4210518843
  H        15.2835872656       12.4088789774       13.8907271034
  O        17.0523257473       15.1758215756       13.8846803155
  H        17.4974736946       14.6256237900       13.2138498495
  O        13.1663948197       15.0605569124       14.2310059026
  H        12.4436880490       15.1608417101       14.8734604181
  O        15.5279172894       15.1771545014       16.0866957951
  H        15.0201306332       15.2756502936       16.9112015815
  H        17.5353344694       15.0611744971       14.7269004890
  H        13.9826425332       13.0496544226       13.3027158524
  H        15.8498046222       17.5080929612       13.2791998852
      14
 i =      348, E =     -1643.7395920018
 Fe        14.9431363018       15.1729351158       14.3596765874
  O        15.0585228372       16.9383910978       13.2987451872
  H        14.2660225239       17.4902247182       13.1629445375
  O        14.9443207709       13.1946519579       13.4210516060
  H        15.2835876683       12.4088781642       13.8907257659
  O        17.0523255880       15.1758218032       13.8846799298
  H        17.4974728732       14.6256230063       13.2138496678
  O        13.1663924383       15.0605569543       14.2310056364
  H        12.4436764787       15.1608420905       14.8734435660
  O        15.5279166472       15.1771543433       16.0866963403
  H        15.0201263600       15.2756448195       16.9111993825
  H        17.5353347544       15.0611741281       14.7269006735
  H        13.9826424195       13.0496546068       13.3027154832
  H        15.8498089596       17.5080870114       13.2792011432
      14
 i =      349, E =     -1643.7395916558
 Fe        14.9431335943       15.1729348774       14.3596740228
  O        15.0585236278       16.9383922148       13.2987463044
  H        14.2660391420       17.4902622643       13.1630082217
  O        14.9443211264       13.1946521098       13.4210514067
  H        15.2835889596       12.4088753481       13.8907200026
  O        17.0523256605       15.1758220851       13.8846799783
  H        17.4974694232       14.6256202105       13.2138494170
  O        13.1663958868       15.0605566029       14.2310024754
  H        12.4436245878       15.1608443215       14.8733805045
  O        15.5279159193       15.1771543358       16.0866987120
  H        15.0201085004       15.2756229941       16.9111918087
  H        17.5353350871       15.0611729287       14.7268997950
  H        13.9826428332       13.0496553256       13.3027141227
  H        15.8498286964       17.5080648039       13.2792054715
      14
 i =      350, E =     -1643.7395915896
 Fe        14.9431345671       15.1729348095       14.3596744947
  O        15.0585247453       16.9383929052       13.2987469061
  H        14.2660482074       17.4902835406       13.1630439061
  O        14.9443212797       13.1946521509       13.4210512798
  H        15.2835896689       12.4088737972       13.8907167892
  O        17.0523255983       15.1758222122       13.8846797666
  H        17.4974674550       14.6256186856       13.2138493575
  O        13.1663966192       15.0605564977       14.2310014647
  H        12.4435960279       15.1608455187       14.8733443839
  O        15.5279158039       15.1771542600       16.0866990583
  H        15.0200980896       15.2756108042       16.9111880964
  H        17.5353353304       15.0611722403       14.7268994399
  H        13.9826430965       13.0496557337       13.3027133566
  H        15.8498395032       17.5080521036       13.2792079086
      14
 i =      351, E =     -1643.7395917433
 Fe        14.9431342732       15.1729346576       14.3596711496
  O        15.0585261161       16.9383939332       13.2987475505
  H        14.2660617928       17.4903148779       13.1630965610
  O        14.9443214451       13.1946522771       13.4210512105
  H        15.2835906520       12.4088715609       13.8907120092
  O        17.0523255362       15.1758222987       13.8846795364
  H        17.4974645100       14.6256165246       13.2138494270
  O        13.1663988790       15.0605562280       14.2309996164
  H        12.4435528891       15.1608474286       14.8732915940
  O        15.5279160365       15.1771542483       16.0866994995
  H        15.0200825181       15.2755928189       16.9111830784
  H        17.5353356659       15.0611712429       14.7268987546
  H        13.9826435644       13.0496562934       13.3027122141
  H        15.8498553562       17.5080333015       13.2792114491
      14
 i =      352, E =     -1643.7395916253
 Fe        14.9431337328       15.1729346820       14.3596716637
  O        15.0585260262       16.9383938052       13.2987475934
  H        14.2660606765       17.4903125450       13.1630926813
  O        14.9443214787       13.1946521892       13.4210511121
  H        15.2835906338       12.4088716742       13.8907124160
  O        17.0523255080       15.1758224349       13.8846794838
  H        17.4974647955       14.6256165520       13.2138492212
  O        13.1663979951       15.0605563914       14.2310004197
  H        12.4435571752       15.1608471577       14.8732947376
  O        15.5279157990       15.1771542159       16.0866997299
  H        15.0200838148       15.2755941311       16.9111831059
  H        17.5353357134       15.0611713063       14.7268990257
  H        13.9826434832       13.0496563522       13.3027123347
  H        15.8498543634       17.5080347910       13.2792112244
      14
 i =      353, E =     -1643.7395917474
 Fe        14.9431335016       15.1729344731       14.3596744741
  O        15.0585272512       16.9383948107       13.2987479921
  H        14.2660743038       17.4903438949       13.1631454308
  O        14.9443216827       13.1946523175       13.4210510533
  H        15.2835915979       12.4088694331       13.8907076581
  O        17.0523253814       15.1758225583       13.8846792932
  H        17.4974618902       14.6256143409       13.2138492428
  O        13.1664005295       15.0605561685       14.2309991290
  H        12.4435142788       15.1608490590       14.8732413521
  O        15.5279161576       15.1771542795       16.0866997203
  H        15.0200680448       15.2755761161       16.9111782396
  H        17.5353360836       15.0611703224       14.7268984017
  H        13.9826439287       13.0496569803       13.3027112248
  H        15.8498702828       17.5080159625       13.2792147314
      14
 i =      354, E =     -1643.7395917232
 Fe        14.9431331670       15.1729343626       14.3596714296
  O        15.0585287087       16.9383958426       13.2987487525
  H        14.2660879502       17.4903756661       13.1631985487
  O        14.9443219535       13.1946523802       13.4210509387
  H        15.2835925684       12.4088671544       13.8907028809
  O        17.0523253571       15.1758227153       13.8846791161
  H        17.4974589667       14.6256120743       13.2138491911
  O        13.1664024405       15.0605559313       14.2309974627
  H        12.4434709289       15.1608510308       14.8731874094
  O        15.5279155082       15.1771544372       16.0867015343
  H        15.0200529961       15.2755578043       16.9111719513
  H        17.5353364134       15.0611693575       14.7268977613
  H        13.9826443071       13.0496575750       13.3027100487
  H        15.8498864121       17.5079969215       13.2792182067
      14
 i =      355, E =     -1643.7395918546
 Fe        14.9431322595       15.1729341311       14.3596744826
  O        15.0585293183       16.9383965007       13.2987477797
  H        14.2661007501       17.4904060002       13.1632494557
  O        14.9443221591       13.1946522751       13.4210507992
  H        15.2835935660       12.4088649614       13.8906984350
  O        17.0523256113       15.1758232031       13.8846789012
  H        17.4974562424       14.6256096906       13.2138489016
  O        13.1664049764       15.0605557786       14.2309984305
  H        12.4434300518       15.1608528967       14.8731347846
  O        15.5279150043       15.1771551248       16.0867038676
  H        15.0200386989       15.2755401254       16.9111652419
  H        17.5353366832       15.0611684403       14.7268973910
  H        13.9826446185       13.0496582257       13.3027089486
  H        15.8499021245       17.5079789479       13.2792216596
      14
 i =      356, E =     -1643.7395921486
 Fe        14.9431326716       15.1729341791       14.3596764699
  O        15.0585327513       16.9383980629       13.2987491108
  H        14.2661239877       17.4904615276       13.1633418657
  O        14.9443226255       13.1946525012       13.4210504078
  H        15.2835952785       12.4088609008       13.8906903804
  O        17.0523255825       15.1758237259       13.8846784322
  H        17.4974511630       14.6256055818       13.2138487731
  O        13.1664087465       15.0605552812       14.2309944612
  H        12.4433537749       15.1608566036       14.8730406967
  O        15.5279148276       15.1771549328       16.0867049429
  H        15.0200113713       15.2755083414       16.9111555648
  H        17.5353372414       15.0611667359       14.7268965070
  H        13.9826452008       13.0496593488       13.3027069439
  H        15.8499300056       17.5079457969       13.2792281467
      14
 i =      357, E =     -1643.7395917956
 Fe        14.9431304229       15.1729338057       14.3596744826
  O        15.0585332880       16.9383987793       13.2987484538
  H        14.2661417724       17.4905028509       13.1634114129
  O        14.9443229786       13.1946526321       13.4210504275
  H        15.2835964825       12.4088579427       13.8906843406
  O        17.0523257603       15.1758241856       13.8846782290
  H        17.4974473171       14.6256024793       13.2138487191
  O        13.1664126708       15.0605549475       14.2309942340
  H        12.4432966119       15.1608594708       14.8729689958
  O        15.5279149453       15.1771555087       16.0867071558
  H        15.0199910620       15.2754842654       16.9111476937
  H        17.5353376171       15.0611655143       14.7268957361
  H        13.9826456354       13.0496603026       13.3027054611
  H        15.8499515025       17.5079212334       13.2792327975
      14
 i =      358, E =     -1643.7395922286
 Fe        14.9431316321       15.1729336527       14.3596715960
  O        15.0585351355       16.9384002144       13.2987502116
  H        14.2661552522       17.4905333461       13.1634625052
  O        14.9443231473       13.1946527112       13.4210501444
  H        15.2835973273       12.4088557674       13.8906799277
  O        17.0523255771       15.1758243284       13.8846778880
  H        17.4974444751       14.6256002580       13.2138487924
  O        13.1664126873       15.0605548681       14.2309917054
  H        12.4432547853       15.1608615609       14.8729157397
  O        15.5279141487       15.1771551371       16.0867079552
  H        15.0199761745       15.2754665984       16.9111418783
  H        17.5353379392       15.0611645776       14.7268952480
  H        13.9826461089       13.0496609578       13.3027043387
  H        15.8499670034       17.5079028369       13.2792365322
      14
 i =      359, E =     -1643.7395921048
 Fe        14.9431295438       15.1729335033       14.3596774654
  O        15.0585370621       16.9384014810       13.2987517587
  H        14.2661721030       17.4905724092       13.1635276318
  O        14.9443235762       13.1946528088       13.4210497954
  H        15.2835984324       12.4088529725       13.8906743829
  O        17.0523254216       15.1758247112       13.8846775757
  H        17.4974409978       14.6255972142       13.2138486151
  O        13.1664147815       15.0605546670       14.2309887949
  H        12.4432009297       15.1608643760       14.8728479736
  O        15.5279131059       15.1771549148       16.0867085544
  H        15.0199571755       15.2754439799       16.9111341364
  H        17.5353383120       15.0611634291       14.7268947552
  H        13.9826464447       13.0496618520       13.3027029081
  H        15.8499871742       17.5078795561       13.2792411903
      14
 i =      360, E =     -1643.7395923001
 Fe        14.9431299642       15.1729333608       14.3596727184
  O        15.0585385226       16.9384027404       13.2987530280
  H        14.2661896666       17.4906120276       13.1635939906
  O        14.9443238014       13.1946529637       13.4210496585
  H        15.2835994550       12.4088501783       13.8906686937
  O        17.0523253612       15.1758248784       13.8846773657
  H        17.4974372910       14.6255942878       13.2138487286
  O        13.1664172866       15.0605543651       14.2309858899
  H        12.4431453300       15.1608673782       14.8727790314
  O        15.5279129835       15.1771547883       16.0867100207
  H        15.0199375280       15.2754209892       16.9111270333
  H        17.5353386715       15.0611622769       14.7268939730
  H        13.9826470110       13.0496627657       13.3027014420
  H        15.8500077055       17.5078558347       13.2792458706
      14
 i =      361, E =     -1643.7395922343
 Fe        14.9431287883       15.1729330799       14.3596746302
  O        15.0585404352       16.9384040093       13.2987540703
  H        14.2662058278       17.4906492150       13.1636559178
  O        14.9443240802       13.1946530366       13.4210495127
  H        15.2836003866       12.4088476259       13.8906634184
  O        17.0523253079       15.1758250808       13.8846771199
  H        17.4974338695       14.6255915084       13.2138488135
  O        13.1664194525       15.0605541429       14.2309838534
  H        12.4430935018       15.1608702279       14.8727140212
  O        15.5279126300       15.1771547025       16.0867108230
  H        15.0199190801       15.2753994609       16.9111202265
  H        17.5353389880       15.0611612144       14.7268933376
  H        13.9826474704       13.0496636310       13.3027000668
  H        15.8500267296       17.5078335242       13.2792503083
      14
 i =      362, E =     -1643.7395922816
 Fe        14.9431288297       15.1729330881       14.3596719200
  O        15.0585423638       16.9384049710       13.2987552207
  H        14.2662183065       17.4906782330       13.1637040542
  O        14.9443243868       13.1946530653       13.4210493233
  H        15.2836010874       12.4088456684       13.8906593534
  O        17.0523251992       15.1758253290       13.8846770136
  H        17.4974312649       14.6255892464       13.2138488112
  O        13.1664202114       15.0605540076       14.2309816450
  H        12.4430533334       15.1608724693       14.8726631129
  O        15.5279122035       15.1771544159       16.0867113799
  H        15.0199046928       15.2753827197       16.9111149643
  H        17.5353392179       15.0611603748       14.7268928254
  H        13.9826477660       13.0496643197       13.3026989909
  H        15.8500414921       17.5078161787       13.2792539545
      14
 i =      363, E =     -1643.7395924247
 Fe        14.9431282616       15.1729329008       14.3596738938
  O        15.0585431071       16.9384056882       13.2987556202
  H        14.2662278372       17.4906997039       13.1637399005
  O        14.9443245352       13.1946531070       13.4210492369
  H        15.2836015984       12.4088442229       13.8906563518
  O        17.0523251711       15.1758254698       13.8846769356
  H        17.4974292994       14.6255875968       13.2138488750
  O        13.1664217490       15.0605538451       14.2309804568
  H        12.4430229055       15.1608742277       14.8726252398
  O        15.5279121303       15.1771544164       16.0867117018
  H        15.0198938411       15.2753701920       16.9111110965
  H        17.5353393731       15.0611597672       14.7268924226
  H        13.9826480309       13.0496648440       13.3026981851
  H        15.8500526707       17.5078033327       13.2792566664
      14
 i =      364, E =     -1643.7395923621
 Fe        14.9431276722       15.1729327675       14.3596715510
  O        15.0585448335       16.9384069574       13.2987566810
  H        14.2662464146       17.4907417350       13.1638099075
  O        14.9443247924       13.1946533605       13.4210490352
  H        15.2836026043       12.4088412953       13.8906505466
  O        17.0523250685       15.1758256743       13.8846765435
  H        17.4974253974       14.6255844458       13.2138491099
  O        13.1664245523       15.0605535210       14.2309776530
  H        12.4429632199       15.1608777250       14.8725513147
  O        15.5279114380       15.1771544327       16.0867135166
  H        15.0198731898       15.2753456525       16.9111028056
  H        17.5353397622       15.0611585670       14.7268917407
  H        13.9826485466       13.0496658525       13.3026965955
  H        15.8500744368       17.5077782001       13.2792619044
      14
 i =      365, E =     -1643.7395924483
 Fe        14.9431272231       15.1729326150       14.3596741491
  O        15.0585460237       16.9384076631       13.2987575198
  H        14.2662555081       17.4907627055       13.1638446470
  O        14.9443250215       13.1946533689       13.4210488671
  H        15.2836030996       12.4088398676       13.8906476904
  O        17.0523250022       15.1758258871       13.8846764463
  H        17.4974235464       14.6255827429       13.2138490477
  O        13.1664250540       15.0605534733       14.2309766084
  H        12.4429342233       15.1608794239       14.8725138469
  O        15.5279108812       15.1771543053       16.0867141108
  H        15.0198629074       15.2753334649       16.9110985721
  H        17.5353399084       15.0611579888       14.7268914664
  H        13.9826487199       13.0496663876       13.3026958072
  H        15.8500853225       17.5077657124       13.2792645455
      14
 i =      366, E =     -1643.7395924498
 Fe        14.9431263103       15.1729324562       14.3596713701
  O        15.0585477061       16.9384088892       13.2987584982
  H        14.2662739824       17.4908046178       13.1639143190
  O        14.9443253100       13.1946535178       13.4210486368
  H        15.2836040663       12.4088369752       13.8906419893
  O        17.0523249356       15.1758262146       13.8846760839
  H        17.4974197237       14.6255794462       13.2138491188
  O        13.1664277709       15.0605532241       14.2309742137
  H        12.4428749760       15.1608830001       14.8724393285
  O        15.5279102855       15.1771542911       16.0867156896
  H        15.0198421919       15.2753090039       16.9110903593
  H        17.5353402744       15.0611568226       14.7268909145
  H        13.9826491860       13.0496674819       13.3026942253
  H        15.8501072049       17.5077407019       13.2792698243
      14
 i =      367, E =     -1643.7395925492
 Fe        14.9431262050       15.1729319949       14.3596772624
  O        15.0585517186       16.9384114631       13.2987599917
  H        14.2663066206       17.4908794536       13.1640383096
  O        14.9443258871       13.1946536298       13.4210482196
  H        15.2836056888       12.4088319685       13.8906318873
  O        17.0523249471       15.1758267489       13.8846756374
  H        17.4974129372       14.6255735547       13.2138493199
  O        13.1664321504       15.0605527682       14.2309700028
  H        12.4427691626       15.1608895243       14.8723059784
  O        15.5279096397       15.1771541500       16.0867165092
  H        15.0198046021       15.2752655058       16.9110764789
  H        17.5353407478       15.0611547931       14.7268897533
  H        13.9826499720       13.0496694409       13.3026913971
  H        15.8501456460       17.5076957587       13.2792792725
      14
 i =      368, E =     -1643.7395921381
 Fe        14.9431301186       15.1729318046       14.3596865835
  O        15.0585493864       16.9384102242       13.2987578186
  H        14.2662823177       17.4908245935       13.1639471522
  O        14.9443253386       13.1946532557       13.4210484292
  H        15.2836045541       12.4088358054       13.8906391334
  O        17.0523250731       15.1758263907       13.8846759548
  H        17.4974179900       14.6255779136       13.2138491143
  O        13.1664289040       15.0605531167       14.2309741520
  H        12.4428475660       15.1608844956       14.8724042665
  O        15.5279110554       15.1771543386       16.0867112887
  H        15.0198310142       15.2752976644       16.9110885398
  H        17.5353402574       15.0611562988       14.7268905554
  H        13.9826495019       13.0496678700       13.3026934731
  H        15.8501167197       17.5077282643       13.2792723055
      14
 i =      369, E =     -1643.7395922949
 Fe        14.9431231276       15.1729325429       14.3596708541
  O        15.0585498655       16.9384102439       13.2987585857
  H        14.2662958781       17.4908553004       13.1639982130
  O        14.9443256987       13.1946535772       13.4210483162
  H        15.2836053182       12.4088334611       13.8906351112
  O        17.0523251222       15.1758267299       13.8846756686
  H        17.4974151440       14.6255754262       13.2138491125
  O        13.1664319237       15.0605528951       14.2309725438
  H        12.4428037178       15.1608872718       14.8723493313
  O        15.5279095724       15.1771548290       16.0867180635
  H        15.0198175390       15.2752793023       16.9110797433
  H        17.5353407222       15.0611554325       14.7268902835
  H        13.9826497269       13.0496688249       13.3026922991
  H        15.8501333179       17.5077102866       13.2792761722
      14
 i =      370, E =     -1643.7395926338
 Fe        14.9431269667       15.1729319956       14.3596757856
  O        15.0585513399       16.9384112506       13.2987591532
  H        14.2663091916       17.4908856483       13.1640484671
  O        14.9443258832       13.1946536791       13.4210482209
  H        15.2836059510       12.4088314407       13.8906310723
  O        17.0523249653       15.1758269537       13.8846755351
  H        17.4974123842       14.6255730255       13.2138492548
  O        13.1664331960       15.0605526958       14.2309712672
  H        12.4427606079       15.1608899843       14.8722947627
  O        15.5279100610       15.1771546809       16.0867175366
  H        15.0198016445       15.2752617087       16.9110749670
  H        17.5353409321       15.0611546112       14.7268898424
  H        13.9826500796       13.0496696311       13.3026911435
  H        15.8501488958       17.5076919850       13.2792800113
      14
 i =      371, E =     -1643.7395923725
 Fe        14.9431302583       15.1729319605       14.3596769530
  O        15.0585503254       16.9384106598       13.2987587352
  H        14.2662987658       17.4908620250       13.1640092449
  O        14.9443256774       13.1946536257       13.4210482250
  H        15.2836054838       12.4088330140       13.8906342222
  O        17.0523249721       15.1758267557       13.8846756375
  H        17.4974145382       14.6255749302       13.2138491792
  O        13.1664310499       15.0605528164       14.2309719968
  H        12.4427941921       15.1608878413       14.8723374795
  O        15.5279098755       15.1771546377       16.0867159635
  H        15.0198135774       15.2752755254       16.9110793871
  H        17.5353406907       15.0611552434       14.7268901309
  H        13.9826497892       13.0496689175       13.3026920126
  H        15.8501366673       17.5077061887       13.2792770405
      14
 i =      372, E =     -1643.7395927488
 Fe        14.9431231881       15.1729321030       14.3596760049
  O        15.0585514551       16.9384113478       13.2987591285
  H        14.2663114904       17.4908907226       13.1640568255
  O        14.9443260558       13.1946537666       13.4210484050
  H        15.2836059745       12.4088311823       13.8906302607
  O        17.0523250529       15.1758268693       13.8846756894
  H        17.4974119027       14.6255727059       13.2138493755
  O        13.1664351058       15.0605524938       14.2309700205
  H        12.4427521085       15.1608906215       14.8722867776
  O        15.5279096992       15.1771548648       16.0867177142
  H        15.0197994266       15.2752586683       16.9110735482
  H        17.5353408601       15.0611545073       14.7268894507
  H        13.9826500311       13.0496696765       13.3026908898
  H        15.8501513594       17.5076888756       13.2792805459
      14
 i =      373, E =     -1643.7395926767
 Fe        14.9431263940       15.1729319221       14.3596756825
  O        15.0585531000       16.9384126286       13.2987599420
  H        14.2663276927       17.4909269797       13.1641169274
  O        14.9443263045       13.1946537138       13.4210484351
  H        15.2836065933       12.4088289525       13.8906253059
  O        17.0523248253       15.1758272410       13.8846758118
  H        17.4974086987       14.6255697135       13.2138494414
  O        13.1664358043       15.0605523889       14.2309695487
  H        12.4427010924       15.1608938351       14.8722204986
  O        15.5279103071       15.1771548048       16.0867182451
  H        15.0197805674       15.2752375633       16.9110676245
  H        17.5353410519       15.0611535674       14.7268887221
  H        13.9826505415       13.0496706182       13.3026894834
  H        15.8501699006       17.5076668577       13.2792850157
      14
 i =      374, E =     -1643.7395927676
 Fe        14.9431236611       15.1729314972       14.3596765957
  O        15.0585539284       16.9384131442       13.2987589438
  H        14.2663428935       17.4909617610       13.1641745433
  O        14.9443264037       13.1946538678       13.4210483694
  H        15.2836071786       12.4088267699       13.8906206753
  O        17.0523246605       15.1758275785       13.8846755085
  H        17.4974055553       14.6255668875       13.2138496361
  O        13.1664393170       15.0605521777       14.2309698658
  H        12.4426514707       15.1608971191       14.8721570072
  O        15.5279102269       15.1771554446       16.0867191438
  H        15.0197628499       15.2752171230       16.9110613971
  H        17.5353412118       15.0611526802       14.7268881222
  H        13.9826510266       13.0496715933       13.3026882231
  H        15.8501878362       17.5076460614       13.2792894103
      14
 i =      375, E =     -1643.7395928879
 Fe        14.9431235986       15.1729318776       14.3596738894
  O        15.0585565734       16.9384138868       13.2987601570
  H        14.2663584973       17.4909986768       13.1642349386
  O        14.9443265231       13.1946545449       13.4210478708
  H        15.2836080377       12.4088238630       13.8906162007
  O        17.0523246573       15.1758275697       13.8846742332
  H        17.4974019514       14.6255642626       13.2138501995
  O        13.1664425804       15.0605517250       14.2309662137
  H        12.4425975353       15.1609008394       14.8720916302
  O        15.5279089410       15.1771555166       16.0867231468
  H        15.0197455372       15.2751954397       16.9110526994
  H        17.5353417962       15.0611516605       14.7268881414
  H        13.9826514150       13.0496726292       13.3026868165
  H        15.8502065526       17.5076239927       13.2792942321
      14
 i =      376, E =     -1643.7395926067
 Fe        14.9431240595       15.1729313510       14.3596724909
  O        15.0585569553       16.9384148670       13.2987594763
  H        14.2663738247       17.4910331767       13.1642924565
  O        14.9443268171       13.1946544072       13.4210478263
  H        15.2836087158       12.4088215528       13.8906117441
  O        17.0523247193       15.1758281992       13.8846744077
  H        17.4973988779       14.6255612061       13.2138501068
  O        13.1664442755       15.0605515203       14.2309670689
  H        12.4425481047       15.1609042055       14.8720273441
  O        15.5279088808       15.1771559619       16.0867248277
  H        15.0197279224       15.2751749397       16.9110457290
  H        17.5353420188       15.0611508037       14.7268877544
  H        13.9826517283       13.0496737576       13.3026854994
  H        15.8502247719       17.5076031976       13.2792985520
      14
 i =      377, E =     -1643.7395926171
 Fe        14.9431219282       15.1729312657       14.3596743762
  O        15.0585591315       16.9384160705       13.2987609834
  H        14.2663858409       17.4910606097       13.1643375004
  O        14.9443273959       13.1946542008       13.4210477764
  H        15.2836090588       12.4088200081       13.8906081099
  O        17.0523248126       15.1758284412       13.8846748502
  H        17.4973965083       14.6255588318       13.2138500795
  O        13.1664461235       15.0605513425       14.2309640059
  H        12.4425080251       15.1609070423       14.8719778182
  O        15.5279092705       15.1771554582       16.0867237425
  H        15.0197132971       15.2751590381       16.9110416420
  H        17.5353419962       15.0611501545       14.7268870443
  H        13.9826518588       13.0496745369       13.3026844248
  H        15.8502386327       17.5075865220       13.2793021941
      14
 i =      378, E =     -1643.7395928234
 Fe        14.9431225382       15.1729312734       14.3596724139
  O        15.0585602289       16.9384168098       13.2987620573
  H        14.2663975272       17.4910870527       13.1643810396
  O        14.9443275177       13.1946543574       13.4210474790
  H        15.2836095779       12.4088181314       13.8906048635
  O        17.0523246975       15.1758286270       13.8846743514
  H        17.4973940905       14.6255566463       13.2138502045
  O        13.1664468226       15.0605512456       14.2309624756
  H        12.4424701213       15.1609097135       14.8719289358
  O        15.5279081468       15.1771554237       16.0867253591
  H        15.0197004191       15.2751433606       16.9110354288
  H        17.5353422729       15.0611494771       14.7268869884
  H        13.9826521320       13.0496753869       13.3026834124
  H        15.8502526043       17.5075706890       13.2793056483
      14
 i =      379, E =     -1643.7395927851
 Fe        14.9431219531       15.1729310891       14.3596738923
  O        15.0585614953       16.9384177104       13.2987628939
  H        14.2664079737       17.4911104257       13.1644195907
  O        14.9443275543       13.1946544792       13.4210472931
  H        15.2836099645       12.4088165466       13.8906019513
  O        17.0523247232       15.1758286309       13.8846739902
  H        17.4973918591       14.6255548485       13.2138505200
  O        13.1664485344       15.0605510130       14.2309601009
  H        12.4424354019       15.1609122461       14.8718864270
  O        15.5279080978       15.1771552012       16.0867255465
  H        15.0196882739       15.2751296299       16.9110312811
  H        17.5353424651       15.0611488802       14.7268867497
  H        13.9826524818       13.0496761140       13.3026825183
  H        15.8502646663       17.5075565437       13.2793087652
      14
 i =      380, E =     -1643.7395927037
 Fe        14.9431219088       15.1729310830       14.3596742397
  O        15.0585613608       16.9384176421       13.2987626946
  H        14.2664091822       17.4911134382       13.1644244705
  O        14.9443276626       13.1946544287       13.4210472733
  H        15.2836100393       12.4088163609       13.8906015960
  O        17.0523248138       15.1758287783       13.8846740601
  H        17.4973916547       14.6255544883       13.2138503879
  O        13.1664487171       15.0605510149       14.2309605801
  H        12.4424313455       15.1609125456       14.8718806750
  O        15.5279076144       15.1771554226       16.0867261608
  H        15.0196871708       15.2751277612       16.9110298242
  H        17.5353424166       15.0611488298       14.7268867288
  H        13.9826524044       13.0496762148       13.3026823875
  H        15.8502663975       17.5075547938       13.2793091062
      14
 i =      381, E =     -1643.7395928984
 Fe        14.9431214823       15.1729310149       14.3596724591
  O        15.0585625657       16.9384184448       13.2987634472
  H        14.2664189801       17.4911353081       13.1644605057
  O        14.9443277698       13.1946544804       13.4210471954
  H        15.2836103421       12.4088149666       13.8905988310
  O        17.0523247352       15.1758288683       13.8846739475
  H        17.4973896306       14.6255527205       13.2138506198
  O        13.1664499414       15.0605508628       14.2309589141
  H        12.4423992116       15.1609148915       14.8718403969
  O        15.5279080280       15.1771551918       16.0867260660
  H        15.0196754849       15.2751149555       16.9110264913
  H        17.5353425820       15.0611482821       14.7268864166
  H        13.9826527262       13.0496769130       13.3026815602
  H        15.8502776256       17.5075415044       13.2793120127
      14
 i =      382, E =     -1643.7395928140
 Fe        14.9431208446       15.1729308243       14.3596737008
  O        15.0585636573       16.9384193156       13.2987640305
  H        14.2664314301       17.4911628926       13.1645060349
  O        14.9443280057       13.1946545692       13.4210471544
  H        15.2836106980       12.4088132291       13.8905953377
  O        17.0523246211       15.1758290355       13.8846738937
  H        17.4973871248       14.6255504405       13.2138508699
  O        13.1664519245       15.0605506775       14.2309574914
  H        12.4423586255       15.1609178791       14.8717892422
  O        15.5279080872       15.1771551775       16.0867264917
  H        15.0196610969       15.2750986697       16.9110215466
  H        17.5353427570       15.0611476139       14.7268859862
  H        13.9826530433       13.0496777857       13.3026805040
  H        15.8502919712       17.5075248092       13.2793156041
      14
 i =      383, E =     -1643.7395929017
 Fe        14.9431205933       15.1729307035       14.3596730468
  O        15.0585643578       16.9384199842       13.2987645009
  H        14.2664404801       17.4911827843       13.1645388146
  O        14.9443281774       13.1946545803       13.4210471197
  H        15.2836109293       12.4088120192       13.8905928128
  O        17.0523246720       15.1758291544       13.8846739877
  H        17.4973853289       14.6255487730       13.2138510304
  O        13.1664537477       15.0605504758       14.2309560601
  H        12.4423288023       15.1609201407       14.8717526838
  O        15.5279077615       15.1771552568       16.0867273768
  H        15.0196510133       15.2750868693       16.9110174693
  H        17.5353427642       15.0611471673       14.7268855236
  H        13.9826532703       13.0496783743       13.3026797138
  H        15.8503023827       17.5075127688       13.2793181445
      14
 i =      384, E =     -1643.7395928691
 Fe        14.9431188553       15.1729303340       14.3596733684
  O        15.0585661660       16.9384210116       13.2987643164
  H        14.2664610721       17.4912291983       13.1646151386
  O        14.9443285090       13.1946547383       13.4210470260
  H        15.2836114789       12.4088091669       13.8905870390
  O        17.0523246004       15.1758295635       13.8846737623
  H        17.4973811400       14.6255448828       13.2138514816
  O        13.1664585944       15.0605501557       14.2309551013
  H        12.4422602752       15.1609253067       14.8716662603
  O        15.5279076481       15.1771557549       16.0867290673
  H        15.0196272279       15.2750593683       16.9110083894
  H        17.5353428972       15.0611460777       14.7268847568
  H        13.9826538624       13.0496798062       13.3026779321
  H        15.8503265473       17.5074849142       13.2793242451
      14
 i =      385, E =     -1643.7395930297
 Fe        14.9431209256       15.1729306422       14.3596732625
  O        15.0585682524       16.9384215874       13.2987651739
  H        14.2664694769       17.4912495290       13.1646478340
  O        14.9443285812       13.1946550115       13.4210467169
  H        15.2836118443       12.4088076418       13.8905847691
  O        17.0523244231       15.1758296481       13.8846729396
  H        17.4973791994       14.6255433289       13.2138518251
  O        13.1664574064       15.0605500769       14.2309539902
  H        12.4422312384       15.1609275073       14.8716282269
  O        15.5279070478       15.1771555882       16.0867302673
  H        15.0196172201       15.2750474423       16.9110040113
  H        17.5353433004       15.0611455179       14.7268849981
  H        13.9826540346       13.0496804640       13.3026771299
  H        15.8503365603       17.5074725972       13.2793271142
      14
 i =      386, E =     -1643.7395930166
 Fe        14.9431182084       15.1729302090       14.3596729214
  O        15.0585692673       16.9384228015       13.2987660149
  H        14.2664845532       17.4912822422       13.1647019096
  O        14.9443289138       13.1946550270       13.4210466156
  H        15.2836121971       12.4088056250       13.8905807437
  O        17.0523244579       15.1758299337       13.8846731497
  H        17.4973762488       14.6255404786       13.2138520594
  O        13.1664602384       15.0605497470       14.2309510800
  H        12.4421814955       15.1609314194       14.8715671324
  O        15.5279070592       15.1771554420       16.0867311426
  H        15.0196000049       15.2750279308       16.9109980301
  H        17.5353433968       15.0611447634       14.7268843866
  H        13.9826543683       13.0496815580       13.3026758343
  H        15.8503538375       17.5074527993       13.2793316177
      14
 i =      387, E =     -1643.7395931090
 Fe        14.9431200195       15.1729302966       14.3596739952
  O        15.0585717647       16.9384242072       13.2987678566
  H        14.2665040040       17.4913259636       13.1647732796
  O        14.9443292477       13.1946551340       13.4210463099
  H        15.2836127137       12.4088028352       13.8905755452
  O        17.0523242941       15.1758302466       13.8846728124
  H        17.4973722806       14.6255367619       13.2138524483
  O        13.1664609812       15.0605495652       14.2309481220
  H        12.4421170753       15.1609364676       14.8714847244
  O        15.5279059298       15.1771551654       16.0867328961
  H        15.0195778218       15.2750020087       16.9109889456
  H        17.5353436690       15.0611437314       14.7268839840
  H        13.9826548115       13.0496830046       13.3026740921
  H        15.8503766245       17.5074264494       13.2793376046
      14
 i =      388, E =     -1643.7395930370
 Fe        14.9431173937       15.1729299803       14.3596728959
  O        15.0585725944       16.9384248288       13.2987684599
  H        14.2665137410       17.4913475393       13.1648086055
  O        14.9443295471       13.1946551440       13.4210462746
  H        15.2836129091       12.4088015313       13.8905729474
  O        17.0523243496       15.1758304751       13.8846729261
  H        17.4973703745       14.6255348079       13.2138525385
  O        13.1664630253       15.0605494081       14.2309466275
  H        12.4420846113       15.1609391061       14.8714440951
  O        15.5279054991       15.1771551646       16.0867337813
  H        15.0195667793       15.2749891374       16.9109843606
  H        17.5353437056       15.0611432621       14.7268836390
  H        13.9826549420       13.0496837660       13.3026732326
  H        15.8503880690       17.5074134632       13.2793405428
      14
 i =      389, E =     -1643.7395929826
 Fe        14.9431173216       15.1729300519       14.3596723774
  O        15.0585721202       16.9384245454       13.2987680757
  H        14.2665097509       17.4913386500       13.1647941377
  O        14.9443294693       13.1946551378       13.4210462554
  H        15.2836128642       12.4088020279       13.8905740492
  O        17.0523243872       15.1758304451       13.8846729262
  H        17.4973711763       14.6255355641       13.2138524317
  O        13.1664624017       15.0605494616       14.2309473313
  H        12.4420979175       15.1609380265       14.8714608234
  O        15.5279058093       15.1771551997       16.0867335885
  H        15.0195712808       15.2749944057       16.9109862917
  H        17.5353437065       15.0611434523       14.7268838068
  H        13.9826548325       13.0496834788       13.3026735920
  H        15.8503834019       17.5074188135       13.2793393604
      14
 i =      390, E =     -1643.7395930426
 Fe        14.9431185202       15.1729299259       14.3596750327
  O        15.0585739343       16.9384257621       13.2987690130
  H        14.2665269560       17.4913770167       13.1648568204
  O        14.9443296672       13.1946552407       13.4210460496
  H        15.2836132684       12.4087996177       13.8905695539
  O        17.0523243405       15.1758307064       13.8846726212
  H        17.4973676653       14.6255322664       13.2138528348
  O        13.1664645376       15.0605492050       14.2309450815
  H        12.4420405607       15.1609426735       14.8713882178
  O        15.5279055243       15.1771550961       16.0867340549
  H        15.0195511686       15.2749716298       16.9109789945
  H        17.5353439020       15.0611425745       14.7268834401
  H        13.9826552564       13.0496848285       13.3026720791
  H        15.8504034564       17.5073955712       13.2793446369
      14
 i =      391, E =     -1643.7395931596
 Fe        14.9431160669       15.1729296280       14.3596711811
  O        15.0585744757       16.9384262546       13.2987679299
  H        14.2665386487       17.4914026782       13.1648992115
  O        14.9443298147       13.1946554280       13.4210462057
  H        15.2836134132       12.4087980821       13.8905664309
  O        17.0523242842       15.1758308754       13.8846725028
  H        17.4973652803       14.6255300929       13.2138532585
  O        13.1664691424       15.0605488195       14.2309448822
  H        12.4420008655       15.1609460043       14.8713394802
  O        15.5279059595       15.1771556660       16.0867347743
  H        15.0195375377       15.2749562041       16.9109742896
  H        17.5353440072       15.0611420151       14.7268830223
  H        13.9826556004       13.0496856878       13.3026710739
  H        15.8504167656       17.5073800406       13.2793480878
      14
 i =      392, E =     -1643.7395931798
 Fe        14.9431186356       15.1729297571       14.3596751884
  O        15.0585777383       16.9384275029       13.2987689003
  H        14.2665582509       17.4914479713       13.1649725117
  O        14.9443302050       13.1946556133       13.4210459423
  H        15.2836138111       12.4087952678       13.8905612530
  O        17.0523242148       15.1758312475       13.8846722678
  H        17.4973612073       14.6255261675       13.2138537744
  O        13.1664703523       15.0605485861       14.2309430328
  H        12.4419336921       15.1609515643       14.8712531368
  O        15.5279047392       15.1771557534       16.0867366462
  H        15.0195146490       15.2749292769       16.9109643786
  H        17.5353441325       15.0611410198       14.7268825013
  H        13.9826559875       13.0496872219       13.3026692694
  H        15.8504397688       17.5073526181       13.2793543923
      14
 i =      393, E =     -1643.7395932468
 Fe        14.9431117049       15.1729291562       14.3596726253
  O        15.0585788647       16.9384289060       13.2987707771
  H        14.2665779048       17.4914900992       13.1650418108
  O        14.9443306794       13.1946556914       13.4210457719
  H        15.2836141173       12.4087926546       13.8905563700
  O        17.0523242937       15.1758315746       13.8846722020
  H        17.4973573676       14.6255223624       13.2138541392
  O        13.1664741814       15.0605482678       14.2309389762
  H        12.4418686147       15.1609571544       14.8711724701
  O        15.5279043704       15.1771554653       16.0867388308
  H        15.0194925780       15.2749038887       16.9109556455
  H        17.5353443238       15.0611401100       14.7268820326
  H        13.9826563391       13.0496888148       13.3026675722
  H        15.8504625479       17.5073272526       13.2793603203
      14
 i =      394, E =     -1643.7395932650
 Fe        14.9431189132       15.1729294146       14.3596755073
  O        15.0585807277       16.9384300107       13.2987718023
  H        14.2665931581       17.4915241624       13.1650969821
  O        14.9443307684       13.1946558302       13.4210455665
  H        15.2836143757       12.4087905362       13.8905525775
  O        17.0523241246       15.1758318049       13.8846719397
  H        17.4973542517       14.6255193911       13.2138546002
  O        13.1664747295       15.0605480725       14.2309374030
  H        12.4418172481       15.1609615653       14.8711067916
  O        15.5279040524       15.1771553947       16.0867393193
  H        15.0194746485       15.2748836091       16.9109489366
  H        17.5353444323       15.0611393848       14.7268817087
  H        13.9826567450       13.0496900195       13.3026661711
  H        15.8504802851       17.5073065037       13.2793650294
      14
 i =      395, E =     -1643.7395933934
 Fe        14.9431131536       15.1729290455       14.3596733405
  O        15.0585818704       16.9384306545       13.2987713902
  H        14.2666048516       17.4915507656       13.1651402476
  O        14.9443309948       13.1946556962       13.4210453929
  H        15.2836145621       12.4087889162       13.8905496194
  O        17.0523242877       15.1758321957       13.8846717153
  H        17.4973518406       14.6255168909       13.2138547667
  O        13.1664772083       15.0605478399       14.2309370999
  H        12.4417770788       15.1609651398       14.8710550952
  O        15.5279034377       15.1771557978       16.0867411795
  H        15.0194610377       15.2748675651       16.9109429515
  H        17.5353445700       15.0611388283       14.7268815654
  H        13.9826569733       13.0496911538       13.3026651481
  H        15.8504941781       17.5072903704       13.2793686751
      14
 i =      396, E =     -1643.7395934927
 Fe        14.9431201230       15.1729290946       14.3596741378
  O        15.0585857622       16.9384329357       13.2987724710
  H        14.2666390982       17.4916277190       13.1652650258
  O        14.9443315295       13.1946559117       13.4210448470
  H        15.2836150584       12.4087841411       13.8905412279
  O        17.0523242202       15.1758328960       13.8846712478
  H        17.4973447876       14.6255098917       13.2138556719
  O        13.1664815376       15.0605470676       14.2309324355
  H        12.4416590748       15.1609756991       14.8709066055
  O        15.5279027487       15.1771558122       16.0867420939
  H        15.0194201131       15.2748215440       16.9109279622
  H        17.5353447338       15.0611372246       14.7268808505
  H        13.9826576007       13.0496941059       13.3026620710
  H        15.8505342230       17.5072435307       13.2793793954
      14
 i =      397, E =     -1643.7395933296
 Fe        14.9431086235       15.1729285785       14.3596734756
  O        15.0585875013       16.9384342753       13.2987746460
  H        14.2666548216       17.4916620917       13.1653207528
  O        14.9443319533       13.1946558949       13.4210445454
  H        15.2836151625       12.4087820686       13.8905374859
  O        17.0523241837       15.1758328837       13.8846712171
  H        17.4973415701       14.6255067608       13.2138560583
  O        13.1664836018       15.0605467401       14.2309273207
  H        12.4416055871       15.1609807663       14.8708401072
  O        15.5279012929       15.1771551773       16.0867426220
  H        15.0194018101       15.2748008582       16.9109211130
  H        17.5353447383       15.0611366064       14.7268803790
  H        13.9826577577       13.0496956289       13.3026607653
  H        15.8505525540       17.5072226610       13.2793842885
      14
 i =      398, E =     -1643.7395933743
 Fe        14.9431130083       15.1729285024       14.3596724133
  O        15.0585887231       16.9384349148       13.2987751978
  H        14.2666651595       17.4916847689       13.1653574030
  O        14.9443322010       13.1946560170       13.4210446015
  H        15.2836151556       12.4087808159       13.8905350164
  O        17.0523240354       15.1758331314       13.8846710325
  H        17.4973395161       14.6255046708       13.2138564199
  O        13.1664842823       15.0605467305       14.2309269615
  H        12.4415708795       15.1609839300       14.8707950731
  O        15.5279012086       15.1771552976       16.0867441653
  H        15.0193900979       15.2747871317       16.9109158531
  H        17.5353448177       15.0611361120       14.7268802114
  H        13.9826579452       13.0496964680       13.3026598131
  H        15.8505643783       17.5072088240       13.2793876065
      14
 i =      399, E =     -1643.7395934693
 Fe        14.9431111310       15.1729283467       14.3596741586
  O        15.0585893714       16.9384355644       13.2987752961
  H        14.2666773910       17.4917113878       13.1654006379
  O        14.9443322118       13.1946561775       13.4210444141
  H        15.2836152693       12.4087791223       13.8905322641
  O        17.0523242059       15.1758332736       13.8846705616
  H        17.4973370051       14.6255022997       13.2138568789
  O        13.1664868000       15.0605465674       14.2309264212
  H        12.4415295945       15.1609878306       14.8707422018
  O        15.5279006060       15.1771556397       16.0867460569
  H        15.0193764719       15.2747708468       16.9109092582
  H        17.5353449158       15.0611355925       14.7268801277
  H        13.9826582857       13.0496975962       13.3026587353
  H        15.8505787197       17.5071926988       13.2793914105
      14
 i =      400, E =     -1643.7395933767
 Fe        14.9431102739       15.1729282600       14.3596722814
  O        15.0585918476       16.9384364999       13.2987776208
  H        14.2666872602       17.4917327738       13.1654347963
  O        14.9443324365       13.1946564112       13.4210444375
  H        15.2836151279       12.4087780439       13.8905298983
  O        17.0523236536       15.1758333286       13.8846707383
  H        17.4973351581       14.6255003422       13.2138572849
  O        13.1664880569       15.0605465521       14.2309224734
  H        12.4414960209       15.1609909813       14.8707007938
  O        15.5279021273       15.1771546887       16.0867439533
  H        15.0193637444       15.2747583690       16.9109075743
  H        17.5353450235       15.0611351540       14.7268798180
  H        13.9826586486       13.0496983758       13.3026579028
  H        15.8505894620       17.5071795309       13.2793946962
      14
 i =      401, E =     -1643.7395935350
 Fe        14.9431119264       15.1729281761       14.3596737583
  O        15.0585918887       16.9384370185       13.2987770214
  H        14.2666985243       17.4917569405       13.1654742094
  O        14.9443326994       13.1946564835       13.4210444736
  H        15.2836151489       12.4087766119       13.8905273359
  O        17.0523239028       15.1758335106       13.8846706847
  H        17.4973328668       14.6254981412       13.2138577354
  O        13.1664898531       15.0605463199       14.2309229980
  H        12.4414581132       15.1609946019       14.8706520876
  O        15.5279009050       15.1771553673       16.0867468872
  H        15.0193517703       15.2747433657       16.9109006392
  H        17.5353449736       15.0611347067       14.7268794278
  H        13.9826587453       13.0496993803       13.3026568666
  H        15.8506026159       17.5071648937       13.2793981293
      14
 i =      402, E =     -1643.7395935495
 Fe        14.9431092709       15.1729278384       14.3596720668
  O        15.0585931722       16.9384375944       13.2987768452
  H        14.2667123065       17.4917869128       13.1655226063
  O        14.9443328973       13.1946569084       13.4210446029
  H        15.2836150508       12.4087748468       13.8905241476
  O        17.0523239468       15.1758335609       13.8846704820
  H        17.4973299803       14.6254955857       13.2138585971
  O        13.1664946015       15.0605459092       14.2309216663
  H        12.4414097706       15.1609993041       14.8705931323
  O        15.5279008647       15.1771558194       16.0867483668
  H        15.0193359778       15.2747250965       16.9108941349
  H        17.5353450023       15.0611341274       14.7268789199
  H        13.9826590908       13.0497005097       13.3026555999
  H        15.8506182384       17.5071467000       13.2794025317
      14
 i =      403, E =     -1643.7395936682
 Fe        14.9431119555       15.1729280869       14.3596756054
  O        15.0585956593       16.9384386428       13.2987775736
  H        14.2667273591       17.4918208624       13.1655768744
  O        14.9443330697       13.1946569196       13.4210444303
  H        15.2836150389       12.4087729131       13.8905206697
  O        17.0523235722       15.1758341779       13.8846703793
  H        17.4973270584       14.6254922181       13.2138589441
  O        13.1664945179       15.0605458369       14.2309210342
  H        12.4413578160       15.1610043174       14.8705246941
  O        15.5279009331       15.1771557177       16.0867486514
  H        15.0193175469       15.2747046823       16.9108875537
  H        17.5353451559       15.0611334487       14.7268788232
  H        13.9826594664       13.0497019147       13.3026541921
  H        15.8506356427       17.5071258948       13.2794075408
      14
 i =      404, E =     -1643.7395935675
 Fe        14.9431079612       15.1729276418       14.3596765389
  O        15.0585957002       16.9384389758       13.2987760097
  H        14.2667408688       17.4918505072       13.1656250779
  O        14.9443333961       13.1946568711       13.4210442912
  H        15.2836150383       12.4087711502       13.8905176813
  O        17.0523238145       15.1758347948       13.8846700816
  H        17.4973243707       14.6254891836       13.2138591940
  O        13.1664979979       15.0605455323       14.2309224678
  H        12.4413114295       15.1610089334       14.8704639409
  O        15.5279004574       15.1771566405       16.0867513333
  H        15.0193021810       15.2746863071       16.9108800594
  H        17.5353452782       15.0611328690       14.7268788134
  H        13.9826596301       13.0497033215       13.3026529891
  H        15.8506516632       17.5071079597       13.2794118207
      14
 i =      405, E =     -1643.7395935455
 Fe        14.9431097928       15.1729277983       14.3596751200
  O        15.0585978778       16.9384398911       13.2987775739
  H        14.2667509779       17.4918731504       13.1656610894
  O        14.9443334623       13.1946570339       13.4210441548
  H        15.2836150012       12.4087698051       13.8905154417
  O        17.0523238545       15.1758347441       13.8846699779
  H        17.4973221985       14.6254871694       13.2138597290
  O        13.1664997269       15.0605452142       14.2309186864
  H        12.4412745502       15.1610126657       14.8704199080
  O        15.5279006633       15.1771561781       16.0867515676
  H        15.0192896341       15.2746727421       16.9108761353
  H        17.5353452865       15.0611324645       14.7268785596
  H        13.9826599156       13.0497042778       13.3026520547
  H        15.8506630822       17.5070939051       13.2794151989
      14
 i =      406, E =     -1643.7395936544
 Fe        14.9431086236       15.1729275913       14.3596740299
  O        15.0585989863       16.9384406971       13.2987785877
  H        14.2667614597       17.4918956662       13.1656973806
  O        14.9443337383       13.1946570677       13.4210440717
  H        15.2836149248       12.4087685330       13.8905131632
  O        17.0523238538       15.1758349004       13.8846699726
  H        17.4973201260       14.6254849851       13.2138600983
  O        13.1665005914       15.0605451047       14.2309168183
  H        12.4412386962       15.1610162813       14.8703742853
  O        15.5279005058       15.1771559525       16.0867522776
  H        15.0192772936       15.2746590063       16.9108715902
  H        17.5353453109       15.0611320537       14.7268783533
  H        13.9826600690       13.0497052772       13.3026511146
  H        15.8506750458       17.5070801138       13.2794185749
      14
 i =      407, E =     -1643.7395936109
 Fe        14.9431084125       15.1729275058       14.3596714716
  O        15.0585999578       16.9384413719       13.2987793541
  H        14.2667712503       17.4919167684       13.1657313090
  O        14.9443338646       13.1946571384       13.4210439552
  H        15.2836148618       12.4087673104       13.8905110770
  O        17.0523238011       15.1758350407       13.8846698348
  H        17.4973181689       14.6254829597       13.2138604921
  O        13.1665015985       15.0605449835       14.2309153226
  H        12.4412050419       15.1610197032       14.8703314275
  O        15.5279003724       15.1771558288       16.0867528422
  H        15.0192657032       15.2746461247       16.9108673446
  H        17.5353453775       15.0611316634       14.7268782416
  H        13.9826602932       13.0497062362       13.3026502451
  H        15.8506862787       17.5070671966       13.2794217313
      14
 i =      408, E =     -1643.7395937852
 Fe        14.9431081242       15.1729273527       14.3596751069
  O        15.0586012359       16.9384421385       13.2987800488
  H        14.2667818336       17.4919399276       13.1657683988
  O        14.9443341034       13.1946571902       13.4210438303
  H        15.2836147759       12.4087660018       13.8905088050
  O        17.0523238363       15.1758352008       13.8846697483
  H        17.4973160408       14.6254807240       13.2138609115
  O        13.1665030112       15.0605448019       14.2309134865
  H        12.4411678708       15.1610235201       14.8702846440
  O        15.5278998163       15.1771557622       16.0867535138
  H        15.0192532472       15.2746319714       16.9108621660
  H        17.5353453677       15.0611312499       14.7268780518
  H        13.9826604345       13.0497072638       13.3026492709
  H        15.8506985175       17.5070530336       13.2794252074
      14
 i =      409, E =     -1643.7395938118
 Fe        14.9431064169       15.1729271494       14.3596711177
  O        15.0586011315       16.9384424217       13.2987782713
  H        14.2667928416       17.4919639966       13.1658074436
  O        14.9443343033       13.1946571366       13.4210437684
  H        15.2836147162       12.4087645744       13.8905064843
  O        17.0523241236       15.1758356842       13.8846695309
  H        17.4973138198       14.6254782482       13.2138612114
  O        13.1665070130       15.0605444566       14.2309152415
  H        12.4411290868       15.1610275591       14.8702347880
  O        15.5278999586       15.1771567220       16.0867557264
  H        15.0192403909       15.2746169552       16.9108562042
  H        17.5353454216       15.0611308192       14.7268780143
  H        13.9826606234       13.0497084273       13.3026482689
  H        15.8507115688       17.5070384232       13.2794286764
      14
 i =      410, E =     -1643.7395935875
 Fe        14.9431088891       15.1729272371       14.3596742515
  O        15.0586044747       16.9384436200       13.2987794756
  H        14.2668084443       17.4919997412       13.1658639587
  O        14.9443345096       13.1946572777       13.4210435168
  H        15.2836145694       12.4087625235       13.8905031247
  O        17.0523240765       15.1758359087       13.8846693471
  H        17.4973105369       14.6254748158       13.2138619316
  O        13.1665085988       15.0605441374       14.2309124135
  H        12.4410719167       15.1610335290       14.8701627798
  O        15.5278998778       15.1771564406       16.0867554711
  H        15.0192205863       15.2745953833       16.9108492702
  H        17.5353453990       15.0611301839       14.7268777762
  H        13.9826609648       13.0497100123       13.3026467983
  H        15.8507295739       17.5070163387       13.2794340449
      14
 i =      411, E =     -1643.7395938506
 Fe        14.9431059905       15.1729269684       14.3596728457
  O        15.0586047503       16.9384439946       13.2987785010
  H        14.2668208138       17.4920263934       13.1659070070
  O        14.9443347515       13.1946575370       13.4210436447
  H        15.2836143241       12.4087610372       13.8905004776
  O        17.0523240013       15.1758360580       13.8846691821
  H        17.4973080164       14.6254722801       13.2138626358
  O        13.1665127666       15.0605436627       14.2309119966
  H        12.4410277599       15.1610382490       14.8701081311
  O        15.5279004151       15.1771569968       16.0867556843
  H        15.0192055437       15.2745789035       16.9108442343
  H        17.5353454709       15.0611297427       14.7268774624
  H        13.9826612018       13.0497112241       13.3026457004
  H        15.8507435123       17.5069999297       13.2794377451
      14
 i =      412, E =     -1643.7395939958
 Fe        14.9431062469       15.1729269130       14.3596727676
  O        15.0586057879       16.9384448391       13.2987803288
  H        14.2668306509       17.4920469538       13.1659399988
  O        14.9443349180       13.1946575543       13.4210435051
  H        15.2836141879       12.4087598878       13.8904985236
  O        17.0523239713       15.1758361475       13.8846692234
  H        17.4973061191       14.6254702359       13.2138630261
  O        13.1665123840       15.0605436806       14.2309096979
  H        12.4409944854       15.1610417759       14.8700654171
  O        15.5278992757       15.1771566726       16.0867577392
  H        15.0191948295       15.2745661104       16.9108387185
  H        17.5353454343       15.0611293949       14.7268772814
  H        13.9826614140       13.0497121739       13.3026448177
  H        15.8507547296       17.5069873935       13.2794409621
      14
 i =      413, E =     -1643.7395940625
 Fe        14.9431056181       15.1729267289       14.3596741636
  O        15.0586065430       16.9384454359       13.2987793851
  H        14.2668441275       17.4920768422       13.1659878307
  O        14.9443351237       13.1946574838       13.4210433342
  H        15.2836140419       12.4087581750       13.8904957823
  O        17.0523241738       15.1758366415       13.8846689928
  H        17.4973033666       14.6254671608       13.2138635037
  O        13.1665154405       15.0605433326       14.2309102835
  H        12.4409460591       15.1610470084       14.8700032053
  O        15.5278991682       15.1771573442       16.0867595622
  H        15.0191785781       15.2745475566       16.9108316547
  H        17.5353454708       15.0611288969       14.7268772029
  H        13.9826616625       13.0497136651       13.3026435767
  H        15.8507705996       17.5069690387       13.2794452349
      14
 i =      414, E =     -1643.7395937664
 Fe        14.9431054019       15.1729267297       14.3596715526
  O        15.0586092023       16.9384464654       13.2987812011
  H        14.2668571256       17.4921057795       13.1660335739
  O        14.9443353969       13.1946576506       13.4210431951
  H        15.2836138007       12.4087565632       13.8904931176
  O        17.0523239949       15.1758367949       13.8846688965
  H        17.4973007001       14.6254642954       13.2138641299
  O        13.1665166032       15.0605431307       14.2309067651
  H        12.4408987633       15.1610521557       14.8699441004
  O        15.5278991627       15.1771568109       16.0867596938
  H        15.0191622553       15.2745299655       16.9108262136
  H        17.5353455025       15.0611284023       14.7268770367
  H        13.9826619006       13.0497150074       13.3026423718
  H        15.8507853864       17.5069511277       13.2794496175
      14
 i =      415, E =     -1643.7395938657
 Fe        14.9431046975       15.1729264696       14.3596746140
  O        15.0586091665       16.9384466922       13.2987799440
  H        14.2668684171       17.4921299358       13.1660724599
  O        14.9443355829       13.1946579707       13.4210434532
  H        15.2836135040       12.4087552629       13.8904908087
  O        17.0523238933       15.1758369391       13.8846688362
  H        17.4972984076       14.6254619650       13.2138648536
  O        13.1665212120       15.0605426594       14.2309077135
  H        12.4408579465       15.1610566589       14.8698935896
  O        15.5278999877       15.1771575400       16.0867598812
  H        15.0191483316       15.2745148707       16.9108215508
  H        17.5353455067       15.0611280377       14.7268767473
  H        13.9826621330       13.0497161136       13.3026413439
  H        15.8507980874       17.5069361959       13.2794530051
      14
 i =      416, E =     -1643.7395939652
 Fe        14.9431047962       15.1729265111       14.3596716552
  O        15.0586110741       16.9384476691       13.2987819678
  H        14.2668787154       17.4921521370       13.1661076671
  O        14.9443357355       13.1946579743       13.4210432108
  H        15.2836133047       12.4087540351       13.8904887926
  O        17.0523238176       15.1758370333       13.8846687466
  H        17.4972963509       14.6254597311       13.2138653248
  O        13.1665199701       15.0605427150       14.2309046880
  H        12.4408220918       15.1610606042       14.8698470265
  O        15.5278986996       15.1771570409       16.0867615417
  H        15.0191365671       15.2745011305       16.9108159663
  H        17.5353455073       15.0611276727       14.7268766291
  H        13.9826623726       13.0497171873       13.3026404036
  H        15.8508097898       17.5069225304       13.2794564949
      14
 i =      417, E =     -1643.7395937915
 Fe        14.9431043804       15.1729264256       14.3596735845
  O        15.0586118529       16.9384481263       13.2987826417
  H        14.2668849395       17.4921655782       13.1661290093
  O        14.9443358573       13.1946580318       13.4210431085
  H        15.2836131876       12.4087532795       13.8904876036
  O        17.0523237369       15.1758371644       13.8846686811
  H        17.4972951320       14.6254583297       13.2138655715
  O        13.1665203973       15.0605426499       14.2309034026
  H        12.4407999687       15.1610630737       14.8698188732
  O        15.5278984665       15.1771568704       16.0867617753
  H        15.0191290270       15.2744928193       16.9108131071
  H        17.5353455349       15.0611274536       14.7268766303
  H        13.9826624569       13.0497178540       13.3026398367
  H        15.8508169344       17.5069142544       13.2794585537
      14
 i =      418, E =     -1643.7395938437
 Fe        14.9431036734       15.1729262904       14.3596729727
  O        15.0586129807       16.9384488575       13.2987837184
  H        14.2668954549       17.4921879793       13.1661646951
  O        14.9443360834       13.1946581052       13.4210429990
  H        15.2836129545       12.4087520591       13.8904855867
  O        17.0523237236       15.1758372953       13.8846686301
  H        17.4972930360       14.6254560483       13.2138660719
  O        13.1665214076       15.0605425174       14.2309010320
  H        12.4407627325       15.1610672445       14.8697719236
  O        15.5278979739       15.1771566288       16.0867626017
  H        15.0191165728       15.2744789057       16.9108081128
  H        17.5353455173       15.0611270989       14.7268764865
  H        13.9826625987       13.0497189652       13.3026388743
  H        15.8508289931       17.5069005175       13.2794620309
      14
 i =      419, E =     -1643.7395941356
 Fe        14.9431023380       15.1729260560       14.3596730439
  O        15.0586129877       16.9384494110       13.2987827962
  H        14.2669068868       17.4922121941       13.1662036665
  O        14.9443362091       13.1946579662       13.4210428869
  H        15.2836127320       12.4087507453       13.8904834435
  O        17.0523239739       15.1758377195       13.8846684742
  H        17.4972907803       14.6254534368       13.2138664843
  O        13.1665243869       15.0605422474       14.2309019921
  H        12.4407225784       15.1610717942       14.8697199249
  O        15.5278981372       15.1771572298       16.0867643073
  H        15.0191030091       15.2744636357       16.9108024103
  H        17.5353455097       15.0611267255       14.7268764691
  H        13.9826628551       13.0497202532       13.3026378518
  H        15.8508423113       17.5068856647       13.2794656255
      14
 i =      420, E =     -1643.7395940804
 Fe        14.9431037246       15.1729261367       14.3596736666
  O        15.0586159186       16.9384503826       13.2987844865
  H        14.2669196051       17.4922407651       13.1662483531
  O        14.9443364559       13.1946581641       13.4210426922
  H        15.2836124179       12.4087491764       13.8904809938
  O        17.0523238724       15.1758378170       13.8846683634
  H        17.4972881070       14.6254505816       13.2138672176
  O        13.1665255153       15.0605420244       14.2308983538
  H        12.4406751163       15.1610771969       14.8696607637
  O        15.5278976736       15.1771567865       16.0867646098
  H        15.0190869871       15.2744461420       16.9107965063
  H        17.5353454560       15.0611262786       14.7268762796
  H        13.9826630552       13.0497216346       13.3026366367
  H        15.8508568865       17.5068679538       13.2794700766
      14
 i =      421, E =     -1643.7395942363
 Fe        14.9431021216       15.1729259816       14.3596733500
  O        15.0586164362       16.9384508425       13.2987851489
  H        14.2669272465       17.4922568574       13.1662739628
  O        14.9443366389       13.1946582130       13.4210425859
  H        15.2836122465       12.4087482876       13.8904796130
  O        17.0523237904       15.1758380123       13.8846682384
  H        17.4972866540       14.6254488239       13.2138674811
  O        13.1665261831       15.0605419936       14.2308972642
  H        12.4406485937       15.1610802535       14.8696261647
  O        15.5278970739       15.1771567280       16.0867654664
  H        15.0190781595       15.2744360170       16.9107924532
  H        17.5353454801       15.0611260275       14.7268763488
  H        13.9826631286       13.0497224856       13.3026359443
  H        15.8508657719       17.5068581136       13.2794725901
      14
 i =      422, E =     -1643.7395941523
 Fe        14.9431017062       15.1729258359       14.3596734322
  O        15.0586177293       16.9384517209       13.2987862026
  H        14.2669402345       17.4922844335       13.1663177455
  O        14.9443369114       13.1946583048       13.4210424569
  H        15.2836119148       12.4087467964       13.8904772446
  O        17.0523237607       15.1758382182       13.8846681705
  H        17.4972840893       14.6254459063       13.2138680721
  O        13.1665276495       15.0605418455       14.2308951041
  H        12.4406026696       15.1610855611       14.8695672459
  O        15.5278965447       15.1771565740       16.0867662493
  H        15.0190626571       15.2744187747       16.9107861206
  H        17.5353454290       15.0611256150       14.7268762430
  H        13.9826632855       13.0497239441       13.3026347580
  H        15.8508807211       17.5068411185       13.2794768707
      14
 i =      423, E =     -1643.7395942596
 Fe        14.9431014826       15.1729257378       14.3596730327
  O        15.0586190803       16.9384525654       13.2987872461
  H        14.2669501714       17.4923053343       13.1663508693
  O        14.9443369767       13.1946583892       13.4210424003
  H        15.2836115933       12.4087457209       13.8904754172
  O        17.0523237898       15.1758381803       13.8846681379
  H        17.4972820483       14.6254438335       13.2138687388
  O        13.1665290475       15.0605416533       14.2308924092
  H        12.4405670047       15.1610897246       14.8695230626
  O        15.5278964771       15.1771562516       16.0867663618
  H        15.0190505400       15.2744057859       16.9107820253
  H        17.5353453390       15.0611253095       14.7268759893
  H        13.9826635593       13.0497250138       13.3026338665
  H        15.8508918320       17.5068281592       13.2794801809
      14
 i =      424, E =     -1643.7395942322
 Fe        14.9431007153       15.1729255813       14.3596734242
  O        15.0586207057       16.9384535184       13.2987882693
  H        14.2669650516       17.4923367907       13.1664006681
  O        14.9443372730       13.1946585482       13.4210423172
  H        15.2836111140       12.4087440760       13.8904727244
  O        17.0523236868       15.1758383753       13.8846680209
  H        17.4972790800       14.6254405638       13.2138695932
  O        13.1665307746       15.0605414542       14.2308898812
  H        12.4405139851       15.1610959405       14.8694556627
  O        15.5278958756       15.1771561014       16.0867675912
  H        15.0190328245       15.2743860919       16.9107748802
  H        17.5353452946       15.0611248268       14.7268757906
  H        13.9826637851       13.0497266385       13.3026325043
  H        15.8509087801       17.5068088269       13.2794851892
      14
 i =      425, E =     -1643.7395944029
 Fe        14.9431002399       15.1729254796       14.3596727908
  O        15.0586224652       16.9384544524       13.2987893767
  H        14.2669782063       17.4923646949       13.1664447194
  O        14.9443374130       13.1946586966       13.4210422090
  H        15.2836106869       12.4087426056       13.8904703750
  O        17.0523235435       15.1758385639       13.8846679148
  H        17.4972764611       14.6254376317       13.2138703351
  O        13.1665320431       15.0605413012       14.2308875489
  H        12.4404670126       15.1611014978       14.8693956631
  O        15.5278955364       15.1771558686       16.0867683852
  H        15.0190169080       15.2743686856       16.9107688966
  H        17.5353452715       15.0611244065       14.7268756650
  H        13.9826640681       13.0497281040       13.3026313011
  H        15.8509236766       17.5067915889       13.2794895728
      14
 i =      426, E =     -1643.7395942867
 Fe        14.9430995394       15.1729253093       14.3596734736
  O        15.0586236563       16.9384551973       13.2987899395
  H        14.2669901615       17.4923899383       13.1664845439
  O        14.9443376558       13.1946588012       13.4210421806
  H        15.2836102632       12.4087413101       13.8904682516
  O        17.0523235036       15.1758387452       13.8846678726
  H        17.4972740820       14.6254349652       13.2138710115
  O        13.1665340374       15.0605410856       14.2308860942
  H        12.4404240911       15.1611066242       14.8693411244
  O        15.5278952678       15.1771559136       16.0867693048
  H        15.0190025405       15.2743528401       16.9107632165
  H        17.5353452182       15.0611240490       14.7268755055
  H        13.9826642415       13.0497294389       13.3026301859
  H        15.8509372720       17.5067759976       13.2794935110
      14
 i =      427, E =     -1643.7395942556
 Fe        14.9430992724       15.1729252575       14.3596728041
  O        15.0586251383       16.9384559324       13.2987907282
  H        14.2670022483       17.4924156031       13.1665249493
  O        14.9443378489       13.1946589453       13.4210420640
  H        15.2836098486       12.4087399561       13.8904661639
  O        17.0523234301       15.1758389444       13.8846677505
  H        17.4972716648       14.6254322273       13.2138716982
  O        13.1665355621       15.0605409061       14.2308839623
  H        12.4403804749       15.1611118753       14.8692856816
  O        15.5278947499       15.1771558136       16.0867704224
  H        15.0189880378       15.2743367427       16.9107573120
  H        17.5353451836       15.0611236743       14.7268754207
  H        13.9826644223       13.0497308189       13.3026290645
  H        15.8509510775       17.5067601929       13.2794976062
      14
 i =      428, E =     -1643.7395942995
 Fe        14.9430986708       15.1729251000       14.3596734706
  O        15.0586260196       16.9384564956       13.2987910342
  H        14.2670123325       17.4924367853       13.1665583960
  O        14.9443380480       13.1946590339       13.4210419942
  H        15.2836094816       12.4087388671       13.8904644516
  O        17.0523234595       15.1758391220       13.8846677066
  H        17.4972696590       14.6254299375       13.2138722696
  O        13.1665374324       15.0605407007       14.2308826308
  H        12.4403440373       15.1611163217       14.8692396018
  O        15.5278944241       15.1771558842       16.0867713087
  H        15.0189759807       15.2743233389       16.9107523290
  H        17.5353451128       15.0611233802       14.7268753037
  H        13.9826645386       13.0497319777       13.3026281364
  H        15.8509626082       17.5067471680       13.2795010389
      14
 i =      429, E =     -1643.7395944093
 Fe        14.9430971571       15.1729248357       14.3596728609
  O        15.0586322325       16.9384594733       13.2987941753
  H        14.2670588206       17.4925356027       13.1667136387
  O        14.9443387664       13.1946594391       13.4210415883
  H        15.2836077488       12.4087337775       13.8904565742
  O        17.0523233889       15.1758398390       13.8846673818
  H        17.4972602783       14.6254193054       13.2138750313
  O        13.1665432809       15.0605400616       14.2308745647
  H        12.4401751210       15.1611369691       14.8690246700
  O        15.5278927917       15.1771553964       16.0867752687
  H        15.0189196426       15.2742612062       16.9107296646
  H        17.5353448507       15.0611219848       14.7268748265
  H        13.9826652761       13.0497374813       13.3026238186
  H        15.8510157474       17.5066861710       13.2795169941
      14
 i =      430, E =     -1643.7395943322
 Fe        14.9430988747       15.1729250626       14.3596746471
  O        15.0586322136       16.9384590490       13.2987920997
  H        14.2670566308       17.4925326656       13.1667083105
  O        14.9443384390       13.1946594780       13.4210418202
  H        15.2836077509       12.4087339885       13.8904567937
  O        17.0523232689       15.1758398318       13.8846672672
  H        17.4972605377       14.6254197418       13.2138750822
  O        13.1665445031       15.0605396685       14.2308796743
  H        12.4401805937       15.1611364270       14.8690306336
  O        15.5278948196       15.1771563650       16.0867741188
  H        15.0189204911       15.2742631168       16.9107318347
  H        17.5353449694       15.0611220714       14.7268749686
  H        13.9826655090       13.0497372030       13.3026240038
  H        15.8510127420       17.5066874838       13.2795163645
      14
 i =      431, E =     -1643.7395944966
 Fe        14.9430958382       15.1729245434       14.3596708085
  O        15.0586320988       16.9384595604       13.2987927003
  H        14.2670660299       17.4925511960       13.1667379015
  O        14.9443389195       13.1946595874       13.4210417499
  H        15.2836073630       12.4087330194       13.8904553507
  O        17.0523232903       15.1758400524       13.8846673236
  H        17.4972588026       14.6254175817       13.2138755005
  O        13.1665463473       15.0605395496       14.2308770915
  H        12.4401475079       15.1611405684       14.8689895143
  O        15.5278938001       15.1771563254       16.0867759619
  H        15.0189101788       15.2742511065       16.9107266074
  H        17.5353449204       15.0611218245       14.7268749026
  H        13.9826653937       13.0497382724       13.3026231461
  H        15.8510234917       17.5066762230       13.2795194353
      14
 i =      432, E =     -1643.7395943684
 Fe        14.9430961881       15.1729244352       14.3596723168
  O        15.0586322367       16.9384601229       13.2987916641
  H        14.2670786897       17.4925775830       13.1667796789
  O        14.9443391179       13.1946595177       13.4210416136
  H        15.2836068773       12.4087316611       13.8904533999
  O        17.0523235631       15.1758404994       13.8846671950
  H        17.4972563036       14.6254145206       13.2138761331
  O        13.1665498828       15.0605391391       14.2308779665
  H        12.4401011090       15.1611464947       14.8689301700
  O        15.5278938900       15.1771570263       16.0867775617
  H        15.0188948120       15.2742340757       16.9107200216
  H        17.5353448110       15.0611214974       14.7268749265
  H        13.9826655551       13.0497398389       13.3026219658
  H        15.8510381154       17.5066599160       13.2795236282
      14
 i =      433, E =     -1643.7395944906
 Fe        14.9430964590       15.1729244656       14.3596751217
  O        15.0586346017       16.9384608146       13.2987926688
  H        14.2670877491       17.4925978112       13.1668106907
  O        14.9443391762       13.1946596531       13.4210414318
  H        15.2836064469       12.4087306256       13.8904519402
  O        17.0523234704       15.1758405264       13.8846670498
  H        17.4972543607       14.6254123606       13.2138768235
  O        13.1665505868       15.0605389961       14.2308752412
  H        12.4400660698       15.1611509553       14.8688861002
  O        15.5278935424       15.1771567067       16.0867772536
  H        15.0188829652       15.2742214806       16.9107158490
  H        17.5353447367       15.0611212352       14.7268748564
  H        13.9826657817       13.0497409789       13.3026210967
  H        15.8510483225       17.5066472359       13.2795269490
      14
 i =      434, E =     -1643.7395945907
 Fe        14.9430963049       15.1729244735       14.3596743435
  O        15.0586348049       16.9384608607       13.2987929447
  H        14.2670885032       17.4925994757       13.1668132281
  O        14.9443392533       13.1946597069       13.4210414800
  H        15.2836064078       12.4087305366       13.8904518130
  O        17.0523234577       15.1758405189       13.8846670851
  H        17.4972542116       14.6254121838       13.2138768699
  O        13.1665507052       15.0605389747       14.2308750097
  H        12.4400630471       15.1611513594       14.8688825427
  O        15.5278935444       15.1771566757       16.0867775749
  H        15.0188820518       15.2742204198       16.9107153754
  H        17.5353447406       15.0611212210       14.7268748470
  H        13.9826657384       13.0497410600       13.3026210101
  H        15.8510491640       17.5066461648       13.2795271708
      14
 i =      435, E =     -1643.7395944691
 Fe        14.9430951152       15.1729243152       14.3596710382
  O        15.0586357674       16.9384615422       13.2987937929
  H        14.2671005837       17.4926243506       13.1668522842
  O        14.9443395002       13.1946598407       13.4210414208
  H        15.2836058355       12.4087292843       13.8904499591
  O        17.0523233843       15.1758406777       13.8846670382
  H        17.4972518187       14.6254093807       13.2138776317
  O        13.1665519851       15.0605388236       14.2308728852
  H        12.4400192246       15.1611569928       14.8688266651
  O        15.5278931133       15.1771565530       16.0867787877
  H        15.0188675359       15.2742044792       16.9107094891
  H        17.5353446855       15.0611209028       14.7268747746
  H        13.9826658986       13.0497425276       13.3026198992
  H        15.8510627966       17.5066307742       13.2795312525
      14
 i =      436, E =     -1643.7395945962
 Fe        14.9430947119       15.1729239809       14.3596750668
  O        15.0586375541       16.9384625459       13.2987937398
  H        14.2671182332       17.4926614552       13.1669102997
  O        14.9443397451       13.1946600818       13.4210414960
  H        15.2836048931       12.4087275105       13.8904471631
  O        17.0523232356       15.1758408961       13.8846669308
  H        17.4972482647       14.6254052695       13.2138789013
  O        13.1665562397       15.0605383713       14.2308716365
  H        12.4399534307       15.1611655050       14.8687434517
  O        15.5278933486       15.1771568182       16.0867788643
  H        15.0188452989       15.2741808333       16.9107015980
  H        17.5353445423       15.0611204614       14.7268746106
  H        13.9826662457       13.0497446407       13.3026182469
  H        15.8510824516       17.5066075975       13.2795371740
      14
 i =      437, E =     -1643.7395948966
 Fe        14.9430925276       15.1729243522       14.3596636564
  O        15.0586416727       16.9384637926       13.2987945358
  H        14.2671523283       17.4927341622       13.1670233623
  O        14.9443403462       13.1946607200       13.4210416314
  H        15.2836030047       12.4087239000       13.8904418263
  O        17.0523229876       15.1758414122       13.8846669397
  H        17.4972412988       14.6253971143       13.2138813426
  O        13.1665622137       15.0605376493       14.2308690357
  H        12.4398251363       15.1611822639       14.8685794009
  O        15.5278921834       15.1771574724       16.0867847958
  H        15.0188036434       15.2741342482       16.9106834617
  H        17.5353443126       15.0611196230       14.7268742081
  H        13.9826668673       13.0497488416       13.3026150114
  H        15.8511208130       17.5065624501       13.2795487699
      14
 i =      438, E =     -1643.7395944934
 Fe        14.9430942060       15.1729236808       14.3596754223
  O        15.0586426228       16.9384646981       13.2987969177
  H        14.2671634739       17.4927574563       13.1670594018
  O        14.9443405237       13.1946606630       13.4210414291
  H        15.2836025690       12.4087227418       13.8904404290
  O        17.0523231464       15.1758416500       13.8846670829
  H        17.4972390741       14.6253942942       13.2138818783
  O        13.1665609771       15.0605376732       14.2308676474
  H        12.4397842068       15.1611877322       14.8685256483
  O        15.5278908378       15.1771569657       16.0867872946
  H        15.0187903268       15.2741191289       16.9106761638
  H        17.5353440693       15.0611193750       14.7268744259
  H        13.9826668785       13.0497503653       13.3026139447
  H        15.8511341210       17.5065479944       13.2795525886
      14
 i =      439, E =     -1643.7395946006
 Fe        14.9430918078       15.1729235368       14.3596739797
  O        15.0586437796       16.9384656076       13.2987969584
  H        14.2671729592       17.4927770073       13.1670899437
  O        14.9443406432       13.1946607814       13.4210412308
  H        15.2836020495       12.4087217354       13.8904390971
  O        17.0523230885       15.1758416938       13.8846665953
  H        17.4972370885       14.6253921157       13.2138826837
  O        13.1665644937       15.0605372722       14.2308638322
  H        12.4397472678       15.1611927272       14.8684820390
  O        15.5278921687       15.1771566678       16.0867845074
  H        15.0187771155       15.2741067366       16.9106740660
  H        17.5353441503       15.0611191297       14.7268745562
  H        13.9826670266       13.0497515934       13.3026130481
  H        15.8511445294       17.5065355663       13.2795558346
      14
 i =      440, E =     -1643.7395947972
 Fe        14.9430916807       15.1729234644       14.3596710799
  O        15.0586445585       16.9384664986       13.2987965225
  H        14.2671864989       17.4928041939       13.1671326365
  O        14.9443408524       13.1946607767       13.4210413818
  H        15.2836011515       12.4087206103       13.8904370958
  O        17.0523229573       15.1758419437       13.8846666938
  H        17.4972344911       14.6253888864       13.2138836341
  O        13.1665675221       15.0605369662       14.2308641045
  H        12.4396979582       15.1611993994       14.8684184207
  O        15.5278929317       15.1771570142       16.0867845447
  H        15.0187599942       15.2740890846       16.9106687866
  H        17.5353440176       15.0611188658       14.7268744178
  H        13.9826673670       13.0497532401       13.3026118321
  H        15.8511590791       17.5065183510       13.2795602409
      14
 i =      441, E =     -1643.7395947079
 Fe        14.9430921693       15.1729233631       14.3596737770
  O        15.0586467913       16.9384669233       13.2987972859
  H        14.2671984303       17.4928306621       13.1671728997
  O        14.9443410399       13.1946609732       13.4210410469
  H        15.2836004836       12.4087192289       13.8904354633
  O        17.0523230060       15.1758421043       13.8846665321
  H        17.4972319622       14.6253858253       13.2138845344
  O        13.1665681146       15.0605368127       14.2308618546
  H        12.4396510219       15.1612058072       14.8683578972
  O        15.5278909592       15.1771571832       16.0867869299
  H        15.0187454651       15.2740719822       16.9106607350
  H        17.5353438614       15.0611185927       14.7268743838
  H        13.9826674977       13.0497548705       13.3026106355
  H        15.8511731051       17.5065020284       13.2795646065
      14
 i =      442, E =     -1643.7395948436
 Fe        14.9430894022       15.1729231709       14.3596719183
  O        15.0586477977       16.9384672149       13.2987965057
  H        14.2672141062       17.4928640214       13.1672245628
  O        14.9443414690       13.1946613570       13.4210409957
  H        15.2835995126       12.4087175146       13.8904333493
  O        17.0523231045       15.1758423496       13.8846662613
  H        17.4972286460       14.6253819613       13.2138858527
  O        13.1665737707       15.0605361316       14.2308604616
  H        12.4395891813       15.1612143384       14.8682814790
  O        15.5278913663       15.1771577779       16.0867881677
  H        15.0187253094       15.2740503200       16.9106530060
  H        17.5353437705       15.0611182656       14.7268743431
  H        13.9826675698       13.0497569563       13.3026091372
  H        15.8511911103       17.5064813473       13.2795698855
      14
 i =      443, E =     -1643.7395948064
 Fe        14.9430922503       15.1729232014       14.3596759531
  O        15.0586495826       16.9384685006       13.2987976633
  H        14.2672261232       17.4928887494       13.1672628858
  O        14.9443415471       13.1946611525       13.4210409445
  H        15.2835987048       12.4087165037       13.8904316612
  O        17.0523230259       15.1758425318       13.8846665329
  H        17.4972262947       14.6253789297       13.2138866177
  O        13.1665725661       15.0605361426       14.2308587224
  H        12.4395448202       15.1612204813       14.8682227719
  O        15.5278909421       15.1771574092       16.0867883319
  H        15.0187101429       15.2740342478       16.9106472671
  H        17.5353435446       15.0611180430       14.7268741699
  H        13.9826678909       13.0497585566       13.3026079956
  H        15.8512042678       17.5064656167       13.2795740405
      14
 i =      444, E =     -1643.7395947479
 Fe        14.9430889981       15.1729229694       14.3596734443
  O        15.0586495201       16.9384687334       13.2987963848
  H        14.2672356315       17.4929086876       13.1672939872
  O        14.9443417016       13.1946609737       13.4210407531
  H        15.2835981507       12.4087155592       13.8904304724
  O        17.0523232707       15.1758430038       13.8846662535
  H        17.4972243451       14.6253763547       13.2138871675
  O        13.1665755364       15.0605357936       14.2308600187
  H        12.4395084169       15.1612256419       14.8681751371
  O        15.5278908893       15.1771582027       16.0867903739
  H        15.0186982857       15.2740209733       16.9106418168
  H        17.5353435230       15.0611178369       14.7268743498
  H        13.9826680373       13.0497600139       13.3026071277
  H        15.8512153082       17.5064531264       13.2795772215
      14
 i =      445, E =     -1643.7395948685
 Fe        14.9430895095       15.1729229994       14.3596720316
  O        15.0586516259       16.9384693549       13.2987981772
  H        14.2672439043       17.4929265292       13.1673210268
  O        14.9443419204       13.1946612981       13.4210406103
  H        15.2835976376       12.4087145927       13.8904294602
  O        17.0523230694       15.1758429878       13.8846662034
  H        17.4972226318       14.6253742331       13.2138878155
  O        13.1665764436       15.0605356569       14.2308562000
  H        12.4394751518       15.1612303014       14.8681346216
  O        15.5278905366       15.1771576706       16.0867908860
  H        15.0186875044       15.2740095292       16.9106376588
  H        17.5353434733       15.0611176500       14.7268744153
  H        13.9826680315       13.0497611031       13.3026062984
  H        15.8512246450       17.5064419427       13.2795802484
      14
 i =      446, E =     -1643.7395949788
 Fe        14.9430891003       15.1729227098       14.3596759843
  O        15.0586522755       16.9384700415       13.2987979281
  H        14.2672585318       17.4929563636       13.1673673554
  O        14.9443421107       13.1946615333       13.4210406851
  H        15.2835966328       12.4087131934       13.8904275831
  O        17.0523229585       15.1758431055       13.8846661383
  H        17.4972196681       14.6253706491       13.2138890251
  O        13.1665800996       15.0605352131       14.2308555500
  H        12.4394193244       15.1612382017       14.8680637663
  O        15.5278907815       15.1771580174       16.0867912485
  H        15.0186688468       15.2739898683       16.9106309009
  H        17.5353433450       15.0611173951       14.7268743488
  H        13.9826682835       13.0497630490       13.3026049218
  H        15.8512408949       17.5064231891       13.2795850791
      14
 i =      447, E =     -1643.7395951060
 Fe        14.9430884464       15.1729228634       14.3596744634
  O        15.0586545438       16.9384708427       13.2987993207
  H        14.2672702194       17.4929811602       13.1674051977
  O        14.9443423466       13.1946615222       13.4210406659
  H        15.2835957693       12.4087121298       13.8904260284
  O        17.0523229631       15.1758432060       13.8846662133
  H        17.4972172284       14.6253676381       13.2138899382
  O        13.1665802750       15.0605351534       14.2308529214
  H        12.4393739875       15.1612446566       14.8680051658
  O        15.5278901119       15.1771577096       16.0867929268
  H        15.0186539949       15.2739737082       16.9106246330
  H        17.5353431968       15.0611171776       14.7268742609
  H        13.9826684791       13.0497647005       13.3026037867
  H        15.8512539493       17.5064075357       13.2795892495
      14
 i =      448, E =     -1643.7395949707
 Fe        14.9430878827       15.1729226826       14.3596723822
  O        15.0586542060       16.9384708157       13.2987977640
  H        14.2672767357       17.4929951291       13.1674268962
  O        14.9443425281       13.1946613763       13.4210406433
  H        15.2835953303       12.4087115085       13.8904252472
  O        17.0523232574       15.1758436150       13.8846661285
  H        17.4972158529       14.6253657724       13.2138903120
  O        13.1665831038       15.0605347522       14.2308557254
  H        12.4393481071       15.1612484307       14.8679709568
  O        15.5278903757       15.1771586207       16.0867948358
  H        15.0186456035       15.2739642633       16.9106204561
  H        17.5353431112       15.0611170686       14.7268743512
  H        13.9826685169       13.0497657355       13.3026031569
  H        15.8512616555       17.5063987609       13.2795914030
      14
 i =      449, E =     -1643.7395950707
 Fe        14.9430882823       15.1729225299       14.3596748630
  O        15.0586563395       16.9384717556       13.2987993702
  H        14.2672880906       17.4930190546       13.1674633716
  O        14.9443425941       13.1946616824       13.4210403369
  H        15.2835945889       12.4087102357       13.8904239776
  O        17.0523230941       15.1758437060       13.8846659150
  H        17.4972134859       14.6253628486       13.2138912491
  O        13.1665842098       15.0605345595       14.2308514148
  H        12.4393029455       15.1612549324       14.8679149960
  O        15.5278900679       15.1771580518       16.0867944588
  H        15.0186305402       15.2739487127       16.9106152616
  H        17.5353430310       15.0611168376       14.7268744897
  H        13.9826686957       13.0497673250       13.3026020735
  H        15.8512743914       17.5063836578       13.2795954426
      14
 i =      450, E =     -1643.7395950597
 Fe        14.9430864973       15.1729224176       14.3596713897
  O        15.0586564684       16.9384719730       13.2987982406
  H        14.2672993856       17.4930428433       13.1675000537
  O        14.9443428522       13.1946617166       13.4210402961
  H        15.2835937896       12.4087090896       13.8904226531
  O        17.0523233049       15.1758440580       13.8846657878
  H        17.4972110988       14.6253598366       13.2138921236
  O        13.1665881202       15.0605340699       14.2308522724
  H        12.4392580666       15.1612614991       14.8678575908
  O        15.5278902784       15.1771588028       16.0867962075
  H        15.0186159187       15.2739328243       16.9106090056
  H        17.5353429312       15.0611166683       14.7268745350
  H        13.9826688161       13.0497690052       13.3026009923
  H        15.8512874948       17.5063687701       13.2795991974
      14
 i =      451, E =     -1643.7395950009
 Fe        14.9430880344       15.1729223743       14.3596764096
  O        15.0586586880       16.9384730564       13.2987997320
  H        14.2673104949       17.4930660312       13.1675354667
  O        14.9443430987       13.1946616449       13.4210402421
  H        15.2835929018       12.4087081899       13.8904212758
  O        17.0523232713       15.1758441970       13.8846658897
  H        17.4972087964       14.6253569544       13.2138930480
  O        13.1665876572       15.0605340612       14.2308491090
  H        12.4392148526       15.1612677995       14.8678018808
  O        15.5278896904       15.1771582499       16.0867960044
  H        15.0186013357       15.2739176241       16.9106035740
  H        17.5353426872       15.0611164840       14.7268744394
  H        13.9826689641       13.0497705675       13.3025999327
  H        15.8512997117       17.5063540086       13.2796031809
      14
 i =      452, E =     -1643.7395949886
 Fe        14.9430851350       15.1729222814       14.3596743710
  O        15.0586599376       16.9384736909       13.2988011804
  H        14.2673216291       17.4930886594       13.1675701180
  O        14.9443432050       13.1946620055       13.4210400666
  H        15.2835921312       12.4087069719       13.8904201073
  O        17.0523230051       15.1758444505       13.8846656891
  H        17.4972065662       14.6253540635       13.2138939081
  O        13.1665890687       15.0605339440       14.2308455933
  H        12.4391717681       15.1612741243       14.8677476784
  O        15.5278890390       15.1771579135       16.0867974813
  H        15.0185874391       15.2739026322       16.9105978311
  H        17.5353427102       15.0611162777       14.7268746450
  H        13.9826691170       13.0497721617       13.3025989011
  H        15.8513121781       17.5063398016       13.2796069425
      14
 i =      453, E =     -1643.7395950744
 Fe        14.9430868085       15.1729220858       14.3596726355
  O        15.0586614717       16.9384745649       13.2988026048
  H        14.2673356168       17.4931171245       13.1676135938
  O        14.9443434954       13.1946621812       13.4210400239
  H        15.2835910713       12.4087056604       13.8904185575
  O        17.0523228851       15.1758447713       13.8846657068
  H        17.4972037082       14.6253504614       13.2138950453
  O        13.1665899603       15.0605338061       14.2308428878
  H        12.4391179676       15.1612820669       14.8676785703
  O        15.5278883307       15.1771576798       16.0867988528
  H        15.0185698322       15.2738837391       16.9105905484
  H        17.5353425302       15.0611160631       14.7268746757
  H        13.9826692178       13.0497741350       13.3025975484
  H        15.8513278805       17.5063218962       13.2796117219
      14
 i =      454, E =     -1643.7395952437
 Fe        14.9430839431       15.1729219957       14.3596746956
  O        15.0586630480       16.9384755388       13.2988035808
  H        14.2673476195       17.4931414447       13.1676508556
  O        14.9443437083       13.1946620697       13.4210399981
  H        15.2835900623       12.4087047580       13.8904171500
  O        17.0523231121       15.1758449885       13.8846656599
  H        17.4972011830       14.6253474524       13.2138961704
  O        13.1665914378       15.0605337163       14.2308397676
  H        12.4390716167       15.1612889634       14.8676194064
  O        15.5278881794       15.1771572411       16.0867983617
  H        15.0185540718       15.2738676640       16.9105852593
  H        17.5353422759       15.0611159079       14.7268745603
  H        13.9826693997       13.0497758934       13.3025964440
  H        15.8513411937       17.5063064850       13.2796158552
      14
 i =      455, E =     -1643.7395951315
 Fe        14.9430850039       15.1729218989       14.3596705803
  O        15.0586637911       16.9384760485       13.2988040454
  H        14.2673583015       17.4931627250       13.1676835563
  O        14.9443439547       13.1946621284       13.4210400165
  H        15.2835891827       12.4087039032       13.8904159835
  O        17.0523231407       15.1758453897       13.8846657868
  H        17.4971990143       14.6253446984       13.2138970701
  O        13.1665926503       15.0605335485       14.2308386093
  H        12.4390308604       15.1612950912       14.8675666828
  O        15.5278876662       15.1771573038       16.0867997637
  H        15.0185408197       15.2738533155       16.9105794555
  H        17.5353420419       15.0611157564       14.7268744397
  H        13.9826694691       13.0497774137       13.3025954281
  H        15.8513531864       17.5062931823       13.2796196052
      14
 i =      456, E =     -1643.7395951034
 Fe        14.9430833166       15.1729216994       14.3596752027
  O        15.0586662792       16.9384769355       13.2988051577
  H        14.2673706639       17.4931888599       13.1677229214
  O        14.9443439119       13.1946625026       13.4210396907
  H        15.2835882463       12.4087025492       13.8904147903
  O        17.0523229825       15.1758458405       13.8846652783
  H        17.4971963581       14.6253414374       13.2138982407
  O        13.1665944088       15.0605333908       14.2308354495
  H        12.4389811605       15.1613025673       14.8675034256
  O        15.5278867321       15.1771570516       16.0868003861
  H        15.0185246985       15.2738360531       16.9105725761
  H        17.5353419743       15.0611155388       14.7268747785
  H        13.9826696995       13.0497792871       13.3025942382
  H        15.8513671540       17.5062766833       13.2796240737
      14
 i =      457, E =     -1643.7395951686
 Fe        14.9430836173       15.1729217432       14.3596742612
  O        15.0586673766       16.9384774633       13.2988057942
  H        14.2673834551       17.4932147736       13.1677623285
  O        14.9443442426       13.1946626979       13.4210396794
  H        15.2835871866       12.4087013718       13.8904134882
  O        17.0523229329       15.1758463708       13.8846653142
  H        17.4971937026       14.6253380763       13.2138993329
  O        13.1665964268       15.0605331299       14.2308335546
  H        12.4389311773       15.1613101550       14.8674394786
  O        15.5278861900       15.1771571408       16.0868024061
  H        15.0185087306       15.2738186356       16.9105654401
  H        17.5353417870       15.0611153704       14.7268748145
  H        13.9826697444       13.0497811681       13.3025929955
  H        15.8513816012       17.5062604573       13.2796285440
      14
 i =      458, E =     -1643.7395950508
 Fe        14.9430830006       15.1729216245       14.3596712236
  O        15.0586678138       16.9384781368       13.2988065184
  H        14.2673905071       17.4932279925       13.1677828968
  O        14.9443444737       13.1946624548       13.4210398173
  H        15.2835865133       12.4087010799       13.8904126510
  O        17.0523231027       15.1758464999       13.8846656535
  H        17.4971923156       14.6253363331       13.2138999265
  O        13.1665964730       15.0605331716       14.2308319425
  H        12.4389055633       15.1613140654       14.8674059141
  O        15.5278864769       15.1771567258       16.0868017274
  H        15.0184995458       15.2738097587       16.9105630283
  H        17.5353414947       15.0611153334       14.7268745460
  H        13.9826697989       13.0497821665       13.3025923670
  H        15.8513892263       17.5062520764       13.2796308992
      14
 i =      459, E =     -1643.7395952428
 Fe        14.9430822824       15.1729214062       14.3596757200
  O        15.0586686370       16.9384786384       13.2988065395
  H        14.2673999055       17.4932469631       13.1678117930
  O        14.9443446475       13.1946624947       13.4210397887
  H        15.2835856973       12.4087003222       13.8904117080
  O        17.0523232147       15.1758467967       13.8846656053
  H        17.4971903391       14.6253338738       13.2139007861
  O        13.1665986205       15.0605329372       14.2308315387
  H        12.4388687384       15.1613197413       14.8673584005
  O        15.5278862488       15.1771569414       16.0868022808
  H        15.0184874232       15.2737969285       16.9105579589
  H        17.5353412697       15.0611152324       14.7268745427
  H        13.9826698684       13.0497835823       13.3025914627
  H        15.8513998018       17.5062401277       13.2796342227
      14
 i =      460, E =     -1643.7395951466
 Fe        14.9430821759       15.1729214859       14.3596708075
  O        15.0586704294       16.9384790680       13.2988072713
  H        14.2674075480       17.4932632498       13.1678360788
  O        14.9443445833       13.1946628164       13.4210396183
  H        15.2835850700       12.4086994585       13.8904110267
  O        17.0523230404       15.1758469595       13.8846652950
  H        17.4971886417       14.6253318375       13.2139015853
  O        13.1665997959       15.0605327757       14.2308293459
  H        12.4388372833       15.1613245729       14.8673187726
  O        15.5278857704       15.1771568351       16.0868034643
  H        15.0184774140       15.2737861358       16.9105536094
  H        17.5353412507       15.0611151117       14.7268747401
  H        13.9826700405       13.0497847783       13.3025907151
  H        15.8514083455       17.5062297840       13.2796370184
      14
 i =      461, E =     -1643.7395952137
 Fe        14.9430819050       15.1729212869       14.3596756951
  O        15.0586711883       16.9384795413       13.2988075464
  H        14.2674159561       17.4932801693       13.1678617065
  O        14.9443447475       13.1946629079       13.4210395819
  H        15.2835843283       12.4086987362       13.8904102298
  O        17.0523230418       15.1758471367       13.8846652600
  H        17.4971868739       14.6253296486       13.2139023738
  O        13.1666013813       15.0605325621       14.2308283335
  H        12.4388040841       15.1613297167       14.8672765131
  O        15.5278854959       15.1771569179       16.0868040165
  H        15.0184666349       15.2737747042       16.9105491153
  H        17.5353410893       15.0611150206       14.7268747777
  H        13.9826700965       13.0497860375       13.3025899000
  H        15.8514177565       17.5062191217       13.2796399823
      14
 i =      462, E =     -1643.7395951991
 Fe        14.9430821306       15.1729213107       14.3596738498
  O        15.0586712421       16.9384796960       13.2988075048
  H        14.2674179981       17.4932839005       13.1678674695
  O        14.9443447498       13.1946629324       13.4210396495
  H        15.2835841129       12.4086986354       13.8904100004
  O        17.0523230372       15.1758471193       13.8846653224
  H        17.4971864520       14.6253292074       13.2139026477
  O        13.1666018891       15.0605324485       14.2308279543
  H        12.4387962753       15.1613309135       14.8672672398
  O        15.5278859861       15.1771568986       16.0868036681
  H        15.0184638148       15.2737722122       16.9105488848
  H        17.5353410425       15.0611150033       14.7268746577
  H        13.9826701664       13.0497862873       13.3025897135
  H        15.8514197377       17.5062166723       13.2796406225
      14
 i =      463, E =     -1643.7395952811
 Fe        14.9430812562       15.1729212815       14.3596724170
  O        15.0586723534       16.9384800152       13.2988078299
  H        14.2674263637       17.4933012475       13.1678935527
  O        14.9443449761       13.1946630330       13.4210396035
  H        15.2835833671       12.4086978793       13.8904092158
  O        17.0523229613       15.1758474058       13.8846652977
  H        17.4971847068       14.6253268653       13.2139033297
  O        13.1666027737       15.0605323379       14.2308273425
  H        12.4387629790       15.1613361091       14.8672235353
  O        15.5278853914       15.1771570171       16.0868051635
  H        15.0184531321       15.2737604930       16.9105438037
  H        17.5353409281       15.0611149064       14.7268747924
  H        13.9826701632       13.0497876023       13.3025888806
  H        15.8514292595       17.5062057727       13.2796436557
      14
 i =      464, E =     -1643.7395952629
 Fe        14.9430810453       15.1729211574       14.3596736012
  O        15.0586734292       16.9384804925       13.2988082922
  H        14.2674346671       17.4933181742       13.1679190749
  O        14.9443450423       13.1946631277       13.4210395285
  H        15.2835826177       12.4086971518       13.8904084600
  O        17.0523229716       15.1758475308       13.8846652528
  H        17.4971829324       14.6253246484       13.2139041176
  O        13.1666041105       15.0605321819       14.2308258468
  H        12.4387297430       15.1613413012       14.8671811233
  O        15.5278851029       15.1771569546       16.0868057346
  H        15.0184422845       15.2737490834       16.9105393852
  H        17.5353407640       15.0611148185       14.7268748577
  H        13.9826702908       13.0497888948       13.3025880842
  H        15.8514385803       17.5061950972       13.2796466470
      14
 i =      465, E =     -1643.7395953007
 Fe        14.9430805137       15.1729210997       14.3596726105
  O        15.0586743433       16.9384809516       13.2988085010
  H        14.2674437757       17.4933365860       13.1679469015
  O        14.9443452336       13.1946631889       13.4210394978
  H        15.2835817777       12.4086963971       13.8904076327
  O        17.0523229611       15.1758477432       13.8846652528
  H        17.4971810270       14.6253221633       13.2139049270
  O        13.1666056921       15.0605319890       14.2308248845
  H        12.4386935321       15.1613469960       14.8671344525
  O        15.5278850010       15.1771570132       16.0868065182
  H        15.0184303720       15.2737365916       16.9105346167
  H        17.5353405984       15.0611147213       14.7268749418
  H        13.9826703530       13.0497903157       13.3025872056
  H        15.8514487925       17.5061834776       13.2796499532
      14
 i =      466, E =     -1643.7395952405
 Fe        14.9430797600       15.1729207722       14.3596736737
  O        15.0586780967       16.9384826869       13.2988094536
  H        14.2674730346       17.4933961786       13.1680366738
  O        14.9443456046       13.1946635186       13.4210393037
  H        15.2835790569       12.4086938829       13.8904050495
  O        17.0523229669       15.1758481896       13.8846651045
  H        17.4971747806       14.6253142392       13.2139077362
  O        13.1666110156       15.0605312927       14.2308205588
  H        12.4385756191       15.1613655816       14.8669840124
  O        15.5278845125       15.1771570604       16.0868084494
  H        15.0183917241       15.2736962656       16.9105193377
  H        17.5353400367       15.0611144223       14.7268751857
  H        13.9826707006       13.0497949053       13.3025843790
  H        15.8514813431       17.5061456608       13.2796605289
      14
 i =      467, E =     -1643.7395954301
 Fe        14.9430787354       15.1729207863       14.3596723201
  O        15.0586790908       16.9384831498       13.2988099544
  H        14.2674822744       17.4934146636       13.1680645491
  O        14.9443458036       13.1946636211       13.4210393293
  H        15.2835781366       12.4086931431       13.8904042392
  O        17.0523229174       15.1758483128       13.8846651684
  H        17.4971728441       14.6253117196       13.2139086220
  O        13.1666124234       15.0605310994       14.2308190990
  H        12.4385385900       15.1613715029       14.8669367188
  O        15.5278842425       15.1771570552       16.0868095573
  H        15.0183797358       15.2736836530       16.9105144040
  H        17.5353398625       15.0611143417       14.7268752063
  H        13.9826707784       13.0497963426       13.3025834890
  H        15.8514915304       17.5061339533       13.2796637468
      14
 i =      468, E =     -1643.7395952836
 Fe        14.9430786853       15.1729206330       14.3596738343
  O        15.0586800379       16.9384836059       13.2988104185
  H        14.2674924622       17.4934351148       13.1680952917
  O        14.9443460390       13.1946637356       13.4210392955
  H        15.2835771402       12.4086923052       13.8904034168
  O        17.0523228091       15.1758485189       13.8846651781
  H        17.4971707341       14.6253088751       13.2139095446
  O        13.1666135896       15.0605309572       14.2308177662
  H        12.4384979159       15.1613780188       14.8668840887
  O        15.5278837879       15.1771570654       16.0868106264
  H        15.0183665123       15.2736696842       16.9105087464
  H        17.5353396858       15.0611142426       14.7268753283
  H        13.9826708002       13.0497979636       13.3025824913
  H        15.8515029823       17.5061210651       13.2796673754
      14
 i =      469, E =     -1643.7395953320
 Fe        14.9430778876       15.1729204702       14.3596721016
  O        15.0586803513       16.9384835576       13.2988095933
  H        14.2675018214       17.4934538861       13.1681236582
  O        14.9443462373       13.1946641241       13.4210395430
  H        15.2835761126       12.4086915305       13.8904025646
  O        17.0523226380       15.1758486163       13.8846651162
  H        17.4971687038       14.6253064028       13.2139106739
  O        13.1666179417       15.0605303449       14.2308187310
  H        12.4384591086       15.1613843254       14.8668355215
  O        15.5278845390       15.1771577465       16.0868108996
  H        15.0183538304       15.2736567229       16.9105043409
  H        17.5353395526       15.0611141728       14.7268752808
  H        13.9826708808       13.0497993670       13.3025815554
  H        15.8515132657       17.5061092269       13.2796705106
      14
 i =      470, E =     -1643.7395955015
 Fe        14.9430780689       15.1729205469       14.3596737917
  O        15.0586824593       16.9384843923       13.2988103403
  H        14.2675095649       17.4934704077       13.1681479575
  O        14.9443461818       13.1946640937       13.4210393857
  H        15.2835753332       12.4086908375       13.8904019656
  O        17.0523227280       15.1758487305       13.8846651313
  H        17.4971669902       14.6253041336       13.2139114086
  O        13.1666182181       15.0605302778       14.2308169834
  H        12.4384264135       15.1613896111       14.8667933521
  O        15.5278838226       15.1771576194       16.0868120657
  H        15.0183434073       15.2736455316       16.9104994439
  H        17.5353393599       15.0611141241       14.7268753824
  H        13.9826711033       13.0498007122       13.3025807728
  H        15.8515216963       17.5060984264       13.2796734654
      14
 i =      471, E =     -1643.7395951737
 Fe        14.9430776574       15.1729204520       14.3596726692
  O        15.0586829349       16.9384848065       13.2988107399
  H        14.2675160319       17.4934829903       13.1681668559
  O        14.9443462601       13.1946640964       13.4210393786
  H        15.2835746607       12.4086903756       13.8904014440
  O        17.0523227123       15.1758487999       13.8846651479
  H        17.4971656415       14.6253023995       13.2139120665
  O        13.1666192012       15.0605301036       14.2308156871
  H        12.4384004957       15.1613938525       14.8667607471
  O        15.5278838402       15.1771575856       16.0868125054
  H        15.0183349255       15.2736368559       16.9104963159
  H        17.5353392440       15.0611140793       14.7268754036
  H        13.9826712241       13.0498017267       13.3025801540
  H        15.8515286815       17.5060903521       13.2796757067
      14
 i =      472, E =     -1643.7395955716
 Fe        14.9430768249       15.1729203274       14.3596734082
  O        15.0586839002       16.9384852409       13.2988111122
  H        14.2675249940       17.4935011835       13.1681939637
  O        14.9443464704       13.1946641646       13.4210393085
  H        15.2835737402       12.4086896322       13.8904007699
  O        17.0523227057       15.1758489839       13.8846651328
  H        17.4971637497       14.6252998343       13.2139129035
  O        13.1666207010       15.0605299311       14.2308145392
  H        12.4383637794       15.1613998632       14.8667135571
  O        15.5278834166       15.1771576591       16.0868135319
  H        15.0183231033       15.2736243530       16.9104911073
  H        17.5353390748       15.0611140256       14.7268755293
  H        13.9826712719       13.0498032028       13.3025792646
  H        15.8515387052       17.5060787748       13.2796788888
      14
 i =      473, E =     -1643.7395954704
 Fe        14.9430767656       15.1729202788       14.3596726837
  O        15.0586848799       16.9384856758       13.2988115777
  H        14.2675351480       17.4935216423       13.1682244742
  O        14.9443466696       13.1946642848       13.4210392067
  H        15.2835726961       12.4086887743       13.8904000467
  O        17.0523226698       15.1758491769       13.8846651165
  H        17.4971616064       14.6252969303       13.2139138706
  O        13.1666220698       15.0605297405       14.2308131915
  H        12.4383223048       15.1614066983       14.8666600868
  O        15.5278831736       15.1771576726       16.0868144107
  H        15.0183095573       15.2736102563       16.9104855603
  H        17.5353388842       15.0611139620       14.7268756706
  H        13.9826713417       13.0498048710       13.3025782685
  H        15.8515501109       17.5060658130       13.2796825106
      14
 i =      474, E =     -1643.7395956107
 Fe        14.9430762081       15.1729201810       14.3596735288
  O        15.0586860845       16.9384862862       13.2988123131
  H        14.2675449452       17.4935412607       13.1682537791
  O        14.9443468904       13.1946643747       13.4210390996
  H        15.2835716875       12.4086879631       13.8903993712
  O        17.0523226342       15.1758493252       13.8846650495
  H        17.4971595364       14.6252941260       13.2139148080
  O        13.1666226857       15.0605296601       14.2308111919
  H        12.4382824704       15.1614132799       14.8666084781
  O        15.5278828318       15.1771574567       16.0868150572
  H        15.0182964458       15.2735967250       16.9104803245
  H        17.5353387129       15.0611138889       14.7268758693
  H        13.9826713557       13.0498064927       13.3025773072
  H        15.8515610820       17.5060533592       13.2796860545
      14
 i =      475, E =     -1643.7395954485
 Fe        14.9430754955       15.1729200795       14.3596724030
  O        15.0586870183       16.9384868253       13.2988126539
  H        14.2675551500       17.4935615412       13.1682841181
  O        14.9443470496       13.1946644398       13.4210390163
  H        15.2835706293       12.4086871406       13.8903986865
  O        17.0523226358       15.1758495269       13.8846649938
  H        17.4971573877       14.6252911867       13.2139157761
  O        13.1666243043       15.0605294598       14.2308098881
  H        12.4382408476       15.1614202056       14.8665547386
  O        15.5278826476       15.1771574882       16.0868160917
  H        15.0182828660       15.2735826151       16.9104747872
  H        17.5353385306       15.0611138208       14.7268760751
  H        13.9826714337       13.0498082050       13.3025763129
  H        15.8515724796       17.5060404574       13.2796897310
      14
 i =      476, E =     -1643.7395954140
 Fe        14.9430752961       15.1729199693       14.3596741920
  O        15.0586887419       16.9384875165       13.2988133039
  H        14.2675662105       17.4935840604       13.1683174793
  O        14.9443472142       13.1946645408       13.4210389460
  H        15.2835694218       12.4086862585       13.8903979344
  O        17.0523226787       15.1758496442       13.8846650400
  H        17.4971549877       14.6252879839       13.2139169228
  O        13.1666262872       15.0605292043       14.2308074739
  H        12.4381943717       15.1614279451       14.8664958619
  O        15.5278822841       15.1771573923       16.0868168036
  H        15.0182678066       15.2735670854       16.9104687287
  H        17.5353382482       15.0611137661       14.7268761546
  H        13.9826715274       13.0498100816       13.3025752156
  H        15.8515847669       17.5060260328       13.2796937608
      14
 i =      477, E =     -1643.7395955182
 Fe        14.9430745357       15.1729199099       14.3596719685
  O        15.0586895390       16.9384878928       13.2988135898
  H        14.2675742599       17.4936000818       13.1683413086
  O        14.9443473399       13.1946646261       13.4210389443
  H        15.2835685241       12.4086856420       13.8903973946
  O        17.0523226768       15.1758497581       13.8846650547
  H        17.4971532639       14.6252856799       13.2139177642
  O        13.1666280152       15.0605289782       14.2308063624
  H        12.4381610458       15.1614335502       14.8664534411
  O        15.5278821507       15.1771574689       16.0868176662
  H        15.0182570396       15.2735559217       16.9104643299
  H        17.5353380776       15.0611137278       14.7268762136
  H        13.9826716195       13.0498114362       13.3025744327
  H        15.8515936624       17.5060157939       13.2796966219
      14
 i =      478, E =     -1643.7395955377
 Fe        14.9430746545       15.1729198233       14.3596742085
  O        15.0586905742       16.9384883837       13.2988140719
  H        14.2675826992       17.4936169555       13.1683663640
  O        14.9443474877       13.1946647283       13.4210388740
  H        15.2835675963       12.4086849705       13.8903968741
  O        17.0523226261       15.1758498851       13.8846650050
  H        17.4971514621       14.6252832328       13.2139186417
  O        13.1666287274       15.0605288813       14.2308049779
  H        12.4381263579       15.1614393891       14.8664084255
  O        15.5278817852       15.1771573802       16.0868182196
  H        15.0182456820       15.2735441944       16.9104596573
  H        17.5353379029       15.0611136746       14.7268763499
  H        13.9826716659       13.0498128633       13.3025736064
  H        15.8516030602       17.5060050367       13.2796996714
      14
 i =      479, E =     -1643.7395956030
 Fe        14.9430736844       15.1729197620       14.3596716666
  O        15.0586914177       16.9384887828       13.2988144007
  H        14.2675912733       17.4936339465       13.1683916284
  O        14.9443476356       13.1946648256       13.4210388371
  H        15.2835666414       12.4086843018       13.8903963528
  O        17.0523225954       15.1758500467       13.8846649819
  H        17.4971496394       14.6252807328       13.2139195173
  O        13.1666302005       15.0605286985       14.2308038555
  H        12.4380909987       15.1614453878       14.8663628618
  O        15.5278816535       15.1771574156       16.0868191781
  H        15.0182341777       15.2735322959       16.9104549734
  H        17.5353377448       15.0611136240       14.7268764897
  H        13.9826717361       13.0498143297       13.3025727760
  H        15.8516125837       17.5059942040       13.2797027631
      14
 i =      480, E =     -1643.7395956444
 Fe        14.9430735974       15.1729197262       14.3596724664
  O        15.0586919003       16.9384889721       13.2988145912
  H        14.2675941618       17.4936398113       13.1684002884
  O        14.9443476797       13.1946648565       13.4210388622
  H        15.2835663026       12.4086840906       13.8903961662
  O        17.0523226117       15.1758500685       13.8846650240
  H        17.4971490020       14.6252798926       13.2139198397
  O        13.1666308382       15.0605286327       14.2308032281
  H        12.4380787072       15.1614474469       14.8663474284
  O        15.5278815637       15.1771573797       16.0868194504
  H        15.0182302159       15.2735282454       16.9104533552
  H        17.5353376573       15.0611136146       14.7268764900
  H        13.9826717603       13.0498148267       13.3025724847
  H        15.8516157665       17.5059904257       13.2797038010
      14
 i =      481, E =     -1643.7395956530
 Fe        14.9430735206       15.1729195642       14.3596747063
  O        15.0586936967       16.9384898183       13.2988151616
  H        14.2676095845       17.4936705882       13.1684458721
  O        14.9443478991       13.1946650226       13.4210387890
  H        15.2835645447       12.4086829099       13.8903952486
  O        17.0523225771       15.1758503022       13.8846649578
  H        17.4971456758       14.6252753984       13.2139215031
  O        13.1666334180       15.0605282776       14.2308010487
  H        12.4380144267       15.1614583786       14.8662649524
  O        15.5278812313       15.1771574128       16.0868204966
  H        15.0182092392       15.2735067470       16.9104449489
  H        17.5353373194       15.0611135388       14.7268767086
  H        13.9826719108       13.0498174681       13.3025709728
  H        15.8516328214       17.5059707083       13.2797093569
      14
 i =      482, E =     -1643.7395959892
 Fe        14.9430720356       15.1729195406       14.3596714609
  O        15.0586950258       16.9384902989       13.2988156957
  H        14.2676204433       17.4936922837       13.1684779308
  O        14.9443481514       13.1946651633       13.4210387948
  H        15.2835632711       12.4086820845       13.8903946236
  O        17.0523225490       15.1758505108       13.8846650381
  H        17.4971433408       14.6252721587       13.2139226375
  O        13.1666352136       15.0605280534       14.2307994664
  H        12.4379689389       15.1614661752       14.8662064364
  O        15.5278809912       15.1771574281       16.0868220107
  H        15.0181945213       15.2734915274       16.9104388348
  H        17.5353370855       15.0611134911       14.7268768317
  H        13.9826719543       13.0498193631       13.3025699036
  H        15.8516448583       17.5059568301       13.2797132935
      14
 i =      483, E =     -1643.7395957105
 Fe        14.9430727716       15.1729193574       14.3596759434
  O        15.0586959649       16.9384908569       13.2988160000
  H        14.2676296468       17.4937104206       13.1685047605
  O        14.9443482402       13.1946652699       13.4210386877
  H        15.2835622139       12.4086813769       13.8903941581
  O        17.0523225145       15.1758506309       13.8846649180
  H        17.4971413496       14.6252694805       13.2139236721
  O        13.1666365192       15.0605278463       14.2307981072
  H        12.4379305597       15.1614727885       14.8661571481
  O        15.5278808419       15.1771574213       16.0868222312
  H        15.0181818966       15.2734787588       16.9104339971
  H        17.5353368909       15.0611134485       14.7268770169
  H        13.9826720571       13.0498209503       13.3025690072
  H        15.8516550054       17.5059451937       13.2797166242
      14
 i =      484, E =     -1643.7395956352
 Fe        14.9430739095       15.1729193315       14.3596763514
  O        15.0586950949       16.9384906271       13.2988156415
  H        14.2676229576       17.4936970195       13.1684850547
  O        14.9443480790       13.1946651501       13.4210386992
  H        15.2835630193       12.4086819022       13.8903944950
  O        17.0523225279       15.1758505284       13.8846648708
  H        17.4971428245       14.6252714765       13.2139229233
  O        13.1666353488       15.0605279949       14.2307992102
  H        12.4379590038       15.1614678693       14.8661934796
  O        15.5278809538       15.1771574116       16.0868210036
  H        15.0181909981       15.2734882105       16.9104377667
  H        17.5353370253       15.0611134784       14.7268769501
  H        13.9826720320       13.0498197625       13.3025696648
  H        15.8516475685       17.5059537393       13.2797141418
      14
 i =      485, E =     -1643.7395956707
 Fe        14.9430711248       15.1729194269       14.3596707184
  O        15.0586958967       16.9384909069       13.2988158351
  H        14.2676305257       17.4937121127       13.1685072872
  O        14.9443483466       13.1946651421       13.4210387750
  H        15.2835620894       12.4086814004       13.8903940161
  O        17.0523225639       15.1758507425       13.8846650369
  H        17.4971412426       14.6252691392       13.2139236306
  O        13.1666374267       15.0605277749       14.2307985292
  H        12.4379271961       15.1614733833       14.8661525343
  O        15.5278807031       15.1771576298       16.0868224633
  H        15.0181808815       15.2734775358       16.9104331278
  H        17.5353368407       15.0611134760       14.7268769922
  H        13.9826720346       13.0498211169       13.3025689078
  H        15.8516559258       17.5059440107       13.2797168094
      14
 i =      486, E =     -1643.7395957903
 Fe        14.9430722308       15.1729193487       14.3596744759
  O        15.0586970979       16.9384911993       13.2988163811
  H        14.2676369437       17.4937253656       13.1685265976
  O        14.9443483962       13.1946653289       13.4210386830
  H        15.2835613267       12.4086808394       13.8903937238
  O        17.0523225886       15.1758507431       13.8846649980
  H        17.4971397650       14.6252672465       13.2139244468
  O        13.1666380922       15.0605276482       14.2307969828
  H        12.4378992469       15.1614782032       14.8661170406
  O        15.5278804186       15.1771574939       16.0868229263
  H        15.0181718726       15.2734683031       16.9104293894
  H        17.5353366478       15.0611134492       14.7268770462
  H        13.9826720957       13.0498222487       13.3025682642
  H        15.8516631624       17.5059355808       13.2797192229
      14
 i =      487, E =     -1643.7395957274
 Fe        14.9430709772       15.1729192564       14.3596702924
  O        15.0586980057       16.9384915934       13.2988166078
  H        14.2676471556       17.4937455090       13.1685563672
  O        14.9443485506       13.1946655173       13.4210386120
  H        15.2835601156       12.4086800273       13.8903932410
  O        17.0523225282       15.1758509278       13.8846648676
  H        17.4971375382       14.6252642263       13.2139256127
  O        13.1666399893       15.0605273899       14.2307956124
  H        12.4378563232       15.1614856682       14.8660619665
  O        15.5278803040       15.1771575710       16.0868241872
  H        15.0181579993       15.2734540275       16.9104237491
  H        17.5353364802       15.0611133946       14.7268772555
  H        13.9826721877       13.0498240515       13.3025672815
  H        15.8516744962       17.5059227318       13.2797229380
      14
 i =      488, E =     -1643.7395958826
 Fe        14.9430713585       15.1729191623       14.3596745286
  O        15.0586992769       16.9384922862       13.2988172978
  H        14.2676546859       17.4937603710       13.1685782394
  O        14.9443487482       13.1946654888       13.4210386464
  H        15.2835591595       12.4086795785       13.8903928075
  O        17.0523225284       15.1758510062       13.8846650453
  H        17.4971359313       14.6252619697       13.2139264268
  O        13.1666406362       15.0605272880       14.2307937931
  H        12.4378245569       15.1614911983       14.8660213683
  O        15.5278800476       15.1771573576       16.0868241823
  H        15.0181475329       15.2734435628       16.9104197111
  H        17.5353362243       15.0611133869       14.7268772574
  H        13.9826722068       13.0498253585       13.3025665304
  H        15.8516826222       17.5059130634       13.2797256408
      14
 i =      489, E =     -1643.7395958367
 Fe        14.9430700764       15.1729190977       14.3596703548
  O        15.0586999491       16.9384927368       13.2988174094
  H        14.2676644437       17.4937792259       13.1686061528
  O        14.9443488696       13.1946655505       13.4210386667
  H        15.2835579553       12.4086789242       13.8903923042
  O        17.0523224894       15.1758512065       13.8846650106
  H        17.4971338547       14.6252590748       13.2139274946
  O        13.1666426810       15.0605270310       14.2307930429
  H        12.4377840582       15.1614983012       14.8659690667
  O        15.5278801250       15.1771575077       16.0868250848
  H        15.0181342195       15.2734301240       16.9104145649
  H        17.5353360398       15.0611133625       14.7268774176
  H        13.9826723525       13.0498270740       13.3025655884
  H        15.8516932316       17.5059009183       13.2797290582
      14
 i =      490, E =     -1643.7395958044
 Fe        14.9430705139       15.1729190379       14.3596749597
  O        15.0587012948       16.9384930269       13.2988181297
  H        14.2676715276       17.4937938540       13.1686273538
  O        14.9443489601       13.1946657919       13.4210385239
  H        15.2835571162       12.4086782656       13.8903920654
  O        17.0523224516       15.1758512787       13.8846649206
  H        17.4971322493       14.6252568876       13.2139283429
  O        13.1666432613       15.0605269354       14.2307911819
  H        12.4377529735       15.1615037625       14.8659293306
  O        15.5278793746       15.1771573784       16.0868260350
  H        15.0181244520       15.2734198154       16.9104098846
  H        17.5353358631       15.0611133328       14.7268776023
  H        13.9826723470       13.0498283682       13.3025648641
  H        15.8517013328       17.5058916390       13.2797317429
      14
 i =      491, E =     -1643.7395955785
 Fe        14.9430796033       15.1729193600       14.3596898595
  O        15.0586938712       16.9384899931       13.2988128412
  H        14.2676076840       17.4936689588       13.1684434282
  O        14.9443475302       13.1946649197       13.4210383016
  H        15.2835650480       12.4086828585       13.8903948969
  O        17.0523227314       15.1758502847       13.8846642487
  H        17.4971461096       14.6252762303       13.2139213067
  O        13.1666347448       15.0605278052       14.2308046690
  H        12.4380223978       15.1614562322       14.8662749825
  O        15.5278809629       15.1771585136       16.0868166768
  H        15.0182115417       15.2735087568       16.9104457665
  H        17.5353373195       15.0611135216       14.7268766843
  H        13.9826722324       13.0498168249       13.3025711148
  H        15.8516304229       17.5059715020       13.2797085906
      14
 i =      492, E =     -1643.7395956774
 Fe        14.9430709845       15.1729197736       14.3596742257
  O        15.0586943883       16.9384895151       13.2988139117
  H        14.2676160502       17.4936857309       13.1684681805
  O        14.9443481083       13.1946652242       13.4210384563
  H        15.2835640725       12.4086821086       13.8903944273
  O        17.0523227033       15.1758505660       13.8846646511
  H        17.4971443722       14.6252735989       13.2139220033
  O        13.1666367372       15.0605276911       14.2308025039
  H        12.4379870043       15.1614623232       14.8662300344
  O        15.5278804536       15.1771585223       16.0868216124
  H        15.0182011886       15.2734968021       16.9104397186
  H        17.5353372238       15.0611134906       14.7268767082
  H        13.9826720161       13.0498183421       13.3025702881
  H        15.8516402256       17.5059612277       13.2797116225
      14
 i =      493, E =     -1643.7395956011
 Fe        14.9430737305       15.1729194444       14.3596710559
  O        15.0586947511       16.9384900808       13.2988140630
  H        14.2676240267       17.4937007573       13.1684907454
  O        14.9443482473       13.1946652798       13.4210386876
  H        15.2835630854       12.4086816692       13.8903938829
  O        17.0523226347       15.1758506323       13.8846648602
  H        17.4971426973       14.6252713924       13.2139229554
  O        13.1666382169       15.0605273969       14.2308013312
  H        12.4379542152       15.1614679040       14.8661892931
  O        15.5278812750       15.1771584500       16.0868214702
  H        15.0181901631       15.2734862189       16.9104365650
  H        17.5353369908       15.0611134829       14.7268765757
  H        13.9826721184       13.0498195783       13.3025694988
  H        15.8516485431       17.5059514153       13.2797142486
      14
 i =      494, E =     -1643.7395957126
 Fe        14.9430707261       15.1729192858       14.3596748330
  O        15.0586963877       16.9384911343       13.2988150007
  H        14.2676373828       17.4937269791       13.1685295819
  O        14.9443484383       13.1946652548       13.4210387323
  H        15.2835614785       12.4086807817       13.8903930854
  O        17.0523225881       15.1758508035       13.8846649309
  H        17.4971398784       14.6252674638       13.2139243860
  O        13.1666396917       15.0605272475       14.2307992872
  H        12.4378987752       15.1614774826       14.8661176625
  O        15.5278811403       15.1771582344       16.0868220768
  H        15.0181718523       15.2734677327       16.9104294989
  H        17.5353366817       15.0611134676       14.7268767298
  H        13.9826722925       13.0498218759       13.3025681804
  H        15.8516630443       17.5059344414       13.2797189054
      14
 i =      495, E =     -1643.7395959152
 Fe        14.9430724418       15.1729193886       14.3596705352
  O        15.0586974928       16.9384912028       13.2988155440
  H        14.2676468000       17.4937462121       13.1685577411
  O        14.9443485521       13.1946655711       13.4210386600
  H        15.2835604024       12.4086799067       13.8903927033
  O        17.0523224395       15.1758510278       13.8846647628
  H        17.4971377673       14.6252645854       13.2139254534
  O        13.1666405524       15.0605270600       14.2307984727
  H        12.4378583301       15.1614845324       14.8660651020
  O        15.5278809264       15.1771582723       16.0868242413
  H        15.0181589037       15.2734541429       16.9104237367
  H        17.5353365762       15.0611134063       14.7268770676
  H        13.9826723415       13.0498235665       13.3025672272
  H        15.8516738287       17.5059222955       13.2797223975
      14
 i =      496, E =     -1643.7395957753
 Fe        14.9430707695       15.1729190600       14.3596724905
  O        15.0586985144       16.9384918134       13.2988157888
  H        14.2676558760       17.4937642513       13.1685844149
  O        14.9443487329       13.1946656594       13.4210385892
  H        15.2835593288       12.4086792074       13.8903922973
  O        17.0523224824       15.1758511713       13.8846646922
  H        17.4971357606       14.6252618568       13.2139264779
  O        13.1666425019       15.0605268147       14.2307967752
  H        12.4378193538       15.1614913310       14.8660156919
  O        15.5278808214       15.1771582147       16.0868245567
  H        15.0181461691       15.2734413316       16.9104188803
  H        17.5353363756       15.0611133795       14.7268772843
  H        13.9826723488       13.0498252059       13.3025663293
  H        15.8516839206       17.5059106823       13.2797257164
      14
 i =      497, E =     -1643.7395957031
 Fe        14.9430709338       15.1729191849       14.3596725307
  O        15.0587001718       16.9384926116       13.2988168494
  H        14.2676669917       17.4937861949       13.1686166922
  O        14.9443489317       13.1946656126       13.4210386117
  H        15.2835579296       12.4086785217       13.8903917153
  O        17.0523225140       15.1758513383       13.8846650420
  H        17.4971333933       14.6252584568       13.2139276377
  O        13.1666434747       15.0605267136       14.2307941358
  H        12.4377723383       15.1614995762       14.8659553558
  O        15.5278803199       15.1771579262       16.0868255074
  H        15.0181308728       15.2734257723       16.9104126748
  H        17.5353359913       15.0611133849       14.7268772937
  H        13.9826724572       13.0498271830       13.3025652435
  H        15.8516960856       17.5058964949       13.2797297560
      14
 i =      498, E =     -1643.7395958543
 Fe        14.9430693517       15.1729188084       14.3596738757
  O        15.0587012810       16.9384932314       13.2988173231
  H        14.2676786880       17.4938090629       13.1686504222
  O        14.9443491844       13.1946657275       13.4210385657
  H        15.2835564749       12.4086777076       13.8903911911
  O        17.0523225434       15.1758514966       13.8846649732
  H        17.4971308496       14.6252549577       13.2139289859
  O        13.1666458161       15.0605264760       14.2307920967
  H        12.4377228334       15.1615083012       14.8658920674
  O        15.5278798988       15.1771579136       16.0868264167
  H        15.0181148284       15.2734094403       16.9104060717
  H        17.5353357098       15.0611133694       14.7268774728
  H        13.9826724976       13.0498292722       13.3025641061
  H        15.8517090180       17.5058818251       13.2797339407
      14
 i =      499, E =     -1643.7395958674
 Fe        14.9430701306       15.1729190355       14.3596713442
  O        15.0587026514       16.9384936742       13.2988181301
  H        14.2676879107       17.4938274080       13.1686772407
  O        14.9443491555       13.1946660012       13.4210384484
  H        15.2835553711       12.4086769014       13.8903908810
  O        17.0523223720       15.1758515955       13.8846647187
  H        17.4971287693       14.6252521933       13.2139301181
  O        13.1666461913       15.0605263994       14.2307903636
  H        12.4376836218       15.1615152560       14.8658409902
  O        15.5278796079       15.1771577204       16.0868274941
  H        15.0181019898       15.2733964090       16.9104009677
  H        17.5353356034       15.0611133217       14.7268778241
  H        13.9826726568       13.0498309526       13.3025631996
  H        15.8517192487       17.5058700499       13.2797373177
      14
 i =      500, E =     -1643.7395958815
 Fe        14.9430679305       15.1729185299       14.3596735346
  O        15.0587039370       16.9384944129       13.2988184883
  H        14.2677010101       17.4938530338       13.1687149446
  O        14.9443494595       13.1946661377       13.4210384086
  H        15.2835537220       12.4086759640       13.8903903649
  O        17.0523224177       15.1758518101       13.8846646746
  H        17.4971258832       14.6252482268       13.2139316414
  O        13.1666490103       15.0605260723       14.2307882675
  H        12.4376275978       15.1615252171       14.8657693715
  O        15.5278793347       15.1771577493       16.0868284282
  H        15.0180838254       15.2733780143       16.9103936896
  H        17.5353353022       15.0611133015       14.7268781075
  H        13.9826726761       13.0498333320       13.3025619034
  H        15.8517337577       17.5058535776       13.2797420360
      14
 i =      501, E =     -1643.7395959797
 Fe        14.9430689505       15.1729188180       14.3596722481
  O        15.0587052384       16.9384948513       13.2988192880
  H        14.2677084551       17.4938678100       13.1687364454
  O        14.9443496505       13.1946660813       13.4210384987
  H        15.2835527000       12.4086755916       13.8903900012
  O        17.0523223798       15.1758519967       13.8846651900
  H        17.4971243372       14.6252458019       13.2139323688
  O        13.1666495461       15.0605259928       14.2307866004
  H        12.4375955810       15.1615309599       14.8657281453
  O        15.5278789258       15.1771575658       16.0868292689
  H        15.0180734278       15.2733674771       16.9103894216
  H        17.5353349580       15.0611133326       14.7268779840
  H        13.9826727048       13.0498346883       13.3025611681
  H        15.8517418972       17.5058440087       13.2797447755
      14
 i =      502, E =     -1643.7395958526
 Fe        14.9430675820       15.1729184842       14.3596740273
  O        15.0587060053       16.9384952872       13.2988192938
  H        14.2677174881       17.4938854225       13.1687622957
  O        14.9443498573       13.1946661853       13.4210384641
  H        15.2835515150       12.4086749829       13.8903896744
  O        17.0523224508       15.1758521217       13.8846650844
  H        17.4971223331       14.6252430592       13.2139334930
  O        13.1666519847       15.0605257080       14.2307854856
  H        12.4375567063       15.1615379447       14.8656786042
  O        15.5278787611       15.1771577289       16.0868298477
  H        15.0180608391       15.2733547646       16.9103842932
  H        17.5353347269       15.0611133336       14.7268781134
  H        13.9826727144       13.0498363446       13.3025602842
  H        15.8517518522       17.5058326683       13.2797480206
      14
 i =      503, E =     -1643.7395960000
 Fe        14.9430684839       15.1729187366       14.3596700573
  O        15.0587079390       16.9384958865       13.2988199838
  H        14.2677308658       17.4939120096       13.1688009821
  O        14.9443498008       13.1946665419       13.4210383132
  H        15.2835498031       12.4086738899       13.8903892990
  O        17.0523222595       15.1758522833       13.8846646740
  H        17.4971192685       14.6252389731       13.2139352458
  O        13.1666532417       15.0605254798       14.2307835233
  H        12.4374988999       15.1615483757       14.8656034707
  O        15.5278784372       15.1771576715       16.0868314021
  H        15.0180419789       15.2733356993       16.9103767398
  H        17.5353345469       15.0611132878       14.7268785817
  H        13.9826729696       13.0498388489       13.3025589715
  H        15.8517665728       17.5058155109       13.2797529177
      14
 i =      504, E =     -1643.7395958984
 Fe        14.9430664235       15.1729182612       14.3596738898
  O        15.0587088390       16.9384964106       13.2988202871
  H        14.2677403415       17.4939305059       13.1688280194
  O        14.9443499774       13.1946666783       13.4210382855
  H        15.2835485719       12.4086731914       13.8903890331
  O        17.0523222868       15.1758524036       13.8846645416
  H        17.4971171148       14.6252360842       13.2139364409
  O        13.1666552073       15.0605252061       14.2307822325
  H        12.4374577505       15.1615558453       14.8655507734
  O        15.5278781841       15.1771577030       16.0868322104
  H        15.0180286861       15.2733222660       16.9103712521
  H        17.5353343693       15.0611132771       14.7268789093
  H        13.9826729987       13.0498406270       13.3025580315
  H        15.8517770739       17.5058036007       13.2797563473
      14
 i =      505, E =     -1643.7395959851
 Fe        14.9430669432       15.1729184576       14.3596705673
  O        15.0587101225       16.9384969325       13.2988208896
  H        14.2677501173       17.4939496234       13.1688558485
  O        14.9443503681       13.1946666109       13.4210383886
  H        15.2835471834       12.4086726966       13.8903886394
  O        17.0523222885       15.1758527258       13.8846652044
  H        17.4971150852       14.6252328349       13.2139373981
  O        13.1666566597       15.0605250289       14.2307800900
  H        12.4374153101       15.1615635725       14.8654964607
  O        15.5278777925       15.1771576224       16.0868331940
  H        15.0180149972       15.2733084407       16.9103656502
  H        17.5353339394       15.0611133310       14.7268787802
  H        13.9826729275       13.0498424413       13.3025570499
  H        15.8517877869       17.5057912235       13.2797598943
      14
 i =      506, E =     -1643.7395959697
 Fe        14.9430677386       15.1729187123       14.3596725703
  O        15.0587090726       16.9384963357       13.2988202280
  H        14.2677439757       17.4939379000       13.1688387103
  O        14.9443504809       13.1946664587       13.4210385667
  H        15.2835479682       12.4086731745       13.8903887587
  O        17.0523223074       15.1758528403       13.8846656827
  H        17.4971165345       14.6252345603       13.2139364523
  O        13.1666565012       15.0605249681       14.2307825406
  H        12.4374413534       15.1615588423       14.8655298888
  O        15.5278780215       15.1771579925       16.0868335021
  H        15.0180237056       15.2733168441       16.9103685556
  H        17.5353339916       15.0611133579       14.7268784622
  H        13.9826727557       13.0498413117       13.3025576199
  H        15.8517812195       17.5057988436       13.2797576834
      14
 i =      507, E =     -1643.7395958324
 Fe        14.9430662179       15.1729180512       14.3596741599
  O        15.0587101574       16.9384969171       13.2988202609
  H        14.2677533134       17.4939561108       13.1688652144
  O        14.9443502780       13.1946668500       13.4210384540
  H        15.2835467373       12.4086723812       13.8903885653
  O        17.0523223910       15.1758526047       13.8846647713
  H        17.4971141667       14.6252320302       13.2139380973
  O        13.1666593736       15.0605245603       14.2307809967
  H        12.4373999678       15.1615663639       14.8654784688
  O        15.5278783359       15.1771581003       16.0868333118
  H        15.0180101532       15.2733036791       16.9103639322
  H        17.5353339521       15.0611133248       14.7268788994
  H        13.9826730375       13.0498430363       13.3025567065
  H        15.8517911475       17.5057869025       13.2797610053
      14
 i =      508, E =     -1643.7395959734
 Fe        14.9430658658       15.1729182623       14.3596717940
  O        15.0587111058       16.9384973005       13.2988205577
  H        14.2677612459       17.4939716026       13.1688877659
  O        14.9443505576       13.1946668300       13.4210384693
  H        15.2835456052       12.4086719544       13.8903882775
  O        17.0523223408       15.1758529066       13.8846651859
  H        17.4971125524       14.6252293527       13.2139389121
  O        13.1666605098       15.0605244484       14.2307799371
  H        12.4373655886       15.1615726841       14.8654338782
  O        15.5278781369       15.1771581663       16.0868341434
  H        15.0179990065       15.2732924028       16.9103593231
  H        17.5353336177       15.0611133905       14.7268788241
  H        13.9826730223       13.0498444972       13.3025559179
  H        15.8517998202       17.5057768704       13.2797638329
      14
 i =      509, E =     -1643.7395961363
 Fe        14.9430663955       15.1729182108       14.3596741495
  O        15.0587121785       16.9384976319       13.2988208408
  H        14.2677685784       17.4939863536       13.1689090529
  O        14.9443505482       13.1946669658       13.4210383151
  H        15.2835446228       12.4086713413       13.8903881689
  O        17.0523222343       15.1758530293       13.8846647820
  H        17.4971108052       14.6252270386       13.2139398919
  O        13.1666602510       15.0605244140       14.2307792739
  H        12.4373335985       15.1615785855       14.8653909644
  O        15.5278776451       15.1771581179       16.0868350319
  H        15.0179885307       15.2732816967       16.9103547360
  H        17.5353335918       15.0611133425       14.7268792661
  H        13.9826731315       13.0498459649       13.3025551807
  H        15.8518080331       17.5057673705       13.2797665971
      14
 i =      510, E =     -1643.7395960101
 Fe        14.9430646464       15.1729180376       14.3596713326
  O        15.0587130182       16.9384980462       13.2988209356
  H        14.2677773198       17.4940033727       13.1689338493
  O        14.9443506722       13.1946670903       13.4210382426
  H        15.2835434283       12.4086707025       13.8903879889
  O        17.0523222765       15.1758531701       13.8846645796
  H        17.4971087927       14.6252243031       13.2139410360
  O        13.1666624159       15.0605241301       14.2307780212
  H        12.4372950307       15.1615857136       14.8653416784
  O        15.5278777314       15.1771582197       16.0868359634
  H        15.0179760349       15.2732692120       16.9103498561
  H        17.5353334608       15.0611133468       14.7268795858
  H        13.9826732102       13.0498476573       13.3025543207
  H        15.8518176231       17.5057563409       13.2797697795
      14
 i =      511, E =     -1643.7395961398
 Fe        14.9430653320       15.1729180282       14.3596758141
  O        15.0587141594       16.9384984870       13.2988215590
  H        14.2677851257       17.4940187502       13.1689560591
  O        14.9443510107       13.1946670357       13.4210382913
  H        15.2835422567       12.4086703380       13.8903877395
  O        17.0523223348       15.1758534344       13.8846653770
  H        17.4971071920       14.6252215793       13.2139417667
  O        13.1666637359       15.0605239896       14.2307755203
  H        12.4372601477       15.1615921437       14.8652977814
  O        15.5278770863       15.1771580489       16.0868363130
  H        15.0179649414       15.2732580205       16.9103451043
  H        17.5353329689       15.0611134261       14.7268793071
  H        13.9826731076       13.0498491393       13.3025535313
  H        15.8518262453       17.5057464063       13.2797726471
      14
 i =      512, E =     -1643.7395960104
 Fe        14.9430643764       15.1729179493       14.3596712835
  O        15.0587145491       16.9384986560       13.2988215264
  H        14.2677906555       17.4940294047       13.1689715559
  O        14.9443510934       13.1946671105       13.4210382996
  H        15.2835414600       12.4086699940       13.8903876159
  O        17.0523223544       15.1758535234       13.8846652926
  H        17.4971059351       14.6252198282       13.2139425127
  O        13.1666653734       15.0605237692       14.2307752196
  H        12.4372358222       15.1615966999       14.8652666768
  O        15.5278771991       15.1771582242       16.0868369643
  H        15.0179570602       15.2732501497       16.9103420019
  H        17.5353328429       15.0611134451       14.7268794049
  H        13.9826731627       13.0498502017       13.3025530001
  H        15.8518322481       17.5057394918       13.2797746329
      14
 i =      513, E =     -1643.7395962871
 Fe        14.9430645848       15.1729178898       14.3596756554
  O        15.0587156995       16.9384991319       13.2988220241
  H        14.2677982171       17.4940443328       13.1689930974
  O        14.9443511048       13.1946672748       13.4210381593
  H        15.2835404134       12.4086694068       13.8903875341
  O        17.0523222967       15.1758535399       13.8846648829
  H        17.4971041396       14.6252174635       13.2139435977
  O        13.1666656879       15.0605237261       14.2307738803
  H        12.4372025650       15.1616029057       14.8652230122
  O        15.5278767202       15.1771581140       16.0868374569
  H        15.0179462220       15.2732392316       16.9103373737
  H        17.5353327333       15.0611134423       14.7268797780
  H        13.9826732441       13.0498516910       13.3025522503
  H        15.8518405960       17.5057298072       13.2797774053
      14
 i =      514, E =     -1643.7395960742
 Fe        14.9430633517       15.1729178526       14.3596745450
  O        15.0587165168       16.9384994700       13.2988223684
  H        14.2678067243       17.4940607549       13.1690169097
  O        14.9443512188       13.1946674039       13.4210381415
  H        15.2835391976       12.4086688195       13.8903873912
  O        17.0523222555       15.1758536902       13.8846648072
  H        17.4971022031       14.6252147372       13.2139446856
  O        13.1666672314       15.0605235258       14.2307727313
  H        12.4371652390       15.1616099100       14.8651746759
  O        15.5278766303       15.1771581626       16.0868387351
  H        15.0179341770       15.2732270941       16.9103324122
  H        17.5353325756       15.0611134614       14.7268800310
  H        13.9826733282       13.0498533627       13.3025514143
  H        15.8518499326       17.5057191730       13.2797804627
      14
 i =      515, E =     -1643.7395961180
 Fe        14.9430640411       15.1729176432       14.3596732641
  O        15.0587190411       16.9385003454       13.2988232537
  H        14.2678239741       17.4940947994       13.1690659525
  O        14.9443517144       13.1946675410       13.4210381748
  H        15.2835366241       12.4086677664       13.8903870695
  O        17.0523222438       15.1758541197       13.8846653208
  H        17.4970983312       14.6252089008       13.2139467414
  O        13.1666699539       15.0605231492       14.2307692953
  H        12.4370877596       15.1616244492       14.8650751172
  O        15.5278760857       15.1771580534       16.0868403989
  H        15.0179091334       15.2732020814       16.9103221944
  H        17.5353319706       15.0611135552       14.7268801788
  H        13.9826732567       13.0498567861       13.3025496691
  H        15.8518689319       17.5056970401       13.2797868226
      14
 i =      516, E =     -1643.7395961560
 Fe        14.9430616955       15.1729175973       14.3596729347
  O        15.0587201648       16.9385009027       13.2988239896
  H        14.2678327649       17.4941116728       13.1690903699
  O        14.9443518320       13.1946675734       13.4210380969
  H        15.2835353221       12.4086672739       13.8903869571
  O        17.0523222463       15.1758542501       13.8846653637
  H        17.4970963802       14.6252059622       13.2139477934
  O        13.1666710879       15.0605230705       14.2307668025
  H        12.4370489075       15.1616318373       14.8650251598
  O        15.5278755615       15.1771577988       16.0868407311
  H        15.0178964748       15.2731895693       16.9103171485
  H        17.5353316775       15.0611135951       14.7268803601
  H        13.9826732822       13.0498585629       13.3025488389
  H        15.8518785702       17.5056860894       13.2797900755
      14
 i =      517, E =     -1643.7395961009
 Fe        14.9430625394       15.1729175056       14.3596730155
  O        15.0587208485       16.9385013946       13.2988243742
  H        14.2678414956       17.4941280824       13.1691142057
  O        14.9443517296       13.1946678278       13.4210379827
  H        15.2835340993       12.4086666154       13.8903869442
  O        17.0523222310       15.1758541609       13.8846647495
  H        17.4970942624       14.6252033733       13.2139491973
  O        13.1666720730       15.0605229496       14.2307653577
  H        12.4370110786       15.1616389969       14.8649760032
  O        15.5278752197       15.1771577467       16.0868414964
  H        15.0178842106       15.2731773348       16.9103120368
  H        17.5353315794       15.0611135937       14.7268808078
  H        13.9826734474       13.0498602639       13.3025479982
  H        15.8518880795       17.5056754523       13.2797931746
      14
 i =      518, E =     -1643.7395961314
 Fe        14.9430616269       15.1729172817       14.3596724383
  O        15.0587214863       16.9385015579       13.2988239439
  H        14.2678506524       17.4941455260       13.1691393709
  O        14.9443518381       13.1946682408       13.4210382650
  H        15.2835326270       12.4086660517       13.8903867597
  O        17.0523220240       15.1758541229       13.8846647178
  H        17.4970920456       14.6252006452       13.2139508028
  O        13.1666765496       15.0605222635       14.2307655892
  H        12.4369692255       15.1616469673       14.8649241484
  O        15.5278758088       15.1771583021       16.0868415454
  H        15.0178707270       15.2731642517       16.9103073638
  H        17.5353313776       15.0611136571       14.7268808731
  H        13.9826735780       13.0498619568       13.3025470823
  H        15.8518976373       17.5056640588       13.2797963740
      14
 i =      519, E =     -1643.7395961118
 Fe        14.9430610240       15.1729174085       14.3596730577
  O        15.0587224307       16.9385018087       13.2988243159
  H        14.2678538193       17.4941523447       13.1691489326
  O        14.9443521693       13.1946679204       13.4210381776
  H        15.2835321078       12.4086660002       13.8903867164
  O        17.0523221740       15.1758545821       13.8846654565
  H        17.4970915527       14.6251990791       13.2139507212
  O        13.1666757339       15.0605224273       14.2307647112
  H        12.4369546450       15.1616497847       14.8649038296
  O        15.5278752373       15.1771581443       16.0868425504
  H        15.0178660593       15.2731592659       16.9103046497
  H        17.5353310501       15.0611137199       14.7268807074
  H        13.9826733822       13.0498626994       13.3025467347
  H        15.8519014500       17.5056596431       13.2797977084
      14
 i =      520, E =     -1643.7395961541
 Fe        14.9430614296       15.1729173206       14.3596727272
  O        15.0587230691       16.9385021803       13.2988244910
  H        14.2678611353       17.4941662809       13.1691690006
  O        14.9443521730       13.1946680241       13.4210381249
  H        15.2835310057       12.4086655492       13.8903866855
  O        17.0523221896       15.1758546246       13.8846652793
  H        17.4970898342       14.6251967440       13.2139518036
  O        13.1666771864       15.0605221775       14.2307637622
  H        12.4369218911       15.1616560752       14.8648620026
  O        15.5278752014       15.1771582368       16.0868431387
  H        15.0178554638       15.2731488111       16.9103004315
  H        17.5353308641       15.0611137645       14.7268808943
  H        13.9826734882       13.0498641533       13.3025460208
  H        15.8519093433       17.5056505243       13.2798003297
      14
 i =      521, E =     -1643.7395962716
 Fe        14.9430607572       15.1729173480       14.3596734101
  O        15.0587247282       16.9385027630       13.2988262530
  H        14.2678682253       17.4941802421       13.1691886999
  O        14.9443520648       13.1946682269       13.4210378283
  H        15.2835300482       12.4086648948       13.8903868006
  O        17.0523220195       15.1758545385       13.8846646155
  H        17.4970881168       14.6251944473       13.2139528300
  O        13.1666749846       15.0605225106       14.2307602050
  H        12.4368907058       15.1616621647       14.8648199805
  O        15.5278738768       15.1771575798       16.0868440794
  H        15.0178454401       15.2731384539       16.9102954183
  H        17.5353308970       15.0611137723       14.7268816625
  H        13.9826735715       13.0498656678       13.3025453392
  H        15.8519174294       17.5056415350       13.2798030756
      14
 i =      522, E =     -1643.7395963520
 Fe        14.9430588825       15.1729170342       14.3596726330
  O        15.0587245838       16.9385030266       13.2988249687
  H        14.2678772826       17.4941976069       13.1692140200
  O        14.9443528999       13.1946678146       13.4210379638
  H        15.2835285602       12.4086646519       13.8903866656
  O        17.0523226477       15.1758553143       13.8846659415
  H        17.4970863350       14.6251908586       13.2139533924
  O        13.1666805185       15.0605218258       14.2307608628
  H        12.4368487229       15.1616702204       14.8647675918
  O        15.5278738388       15.1771583412       16.0868459846
  H        15.0178325332       15.2731251742       16.9102889922
  H        17.5353300547       15.0611139355       14.7268810995
  H        13.9826731070       13.0498675241       13.3025443657
  H        15.8519277618       17.5056303404       13.2798063531
      14
 i =      523, E =     -1643.7395961773
 Fe        14.9430613011       15.1729172239       14.3596734086
  O        15.0587261773       16.9385033875       13.2988250623
  H        14.2678853668       17.4942139718       13.1692370993
  O        14.9443523970       13.1946682374       13.4210376889
  H        15.2835273672       12.4086638476       13.8903868617
  O        17.0523223936       15.1758551401       13.8846645270
  H        17.4970840714       14.6251884199       13.2139550459
  O        13.1666811505       15.0605215913       14.2307608813
  H        12.4368112452       15.1616775191       14.8647179125
  O        15.5278746882       15.1771583534       16.0868453420
  H        15.0178194660       15.2731131262       16.9102851292
  H        17.5353302393       15.0611138624       14.7268820279
  H        13.9826735517       13.0498692861       13.3025435826
  H        15.8519364950       17.5056195291       13.2798094431
      14
 i =      524, E =     -1643.7395961688
 Fe        14.9430590307       15.1729170562       14.3596727889
  O        15.0587268813       16.9385036846       13.2988253576
  H        14.2678912040       17.4942252290       13.1692531884
  O        14.9443526565       13.1946682366       13.4210377467
  H        15.2835264161       12.4086635701       13.8903868293
  O        17.0523223738       15.1758553301       13.8846648295
  H        17.4970828182       14.6251863129       13.2139557028
  O        13.1666825349       15.0605214573       14.2307597736
  H        12.4367846866       15.1616826941       14.8646837196
  O        15.5278743500       15.1771583987       16.0868462081
  H        15.0178110512       15.2731045997       16.9102812468
  H        17.5353299966       15.0611139321       14.7268820765
  H        13.9826734812       13.0498705064       13.3025430016
  H        15.8519428455       17.5056121343       13.2798115553
      14
 i =      525, E =     -1643.7395964156
 Fe        14.9430592180       15.1729170012       14.3596726913
  O        15.0587272339       16.9385039078       13.2988254255
  H        14.2678956272       17.4942335132       13.1692650983
  O        14.9443527583       13.1946682986       13.4210378255
  H        15.2835256716       12.4086633535       13.8903867949
  O        17.0523224183       15.1758553465       13.8846649910
  H        17.4970817738       14.6251848944       13.2139563613
  O        13.1666839617       15.0605212337       14.2307591463
  H        12.4367644901       15.1616866037       14.8646585696
  O        15.5278745620       15.1771584761       16.0868464497
  H        15.0178045180       15.2730983271       16.9102788981
  H        17.5353298213       15.0611139675       14.7268820196
  H        13.9826735214       13.0498713668       13.3025425602
  H        15.8519474907       17.5056066754       13.2798130846
      14
 i =      526, E =     -1643.7395962334
 Fe        14.9430592320       15.1729169761       14.3596731143
  O        15.0587281765       16.9385042418       13.2988256994
  H        14.2679039210       17.4942494997       13.1692878704
  O        14.9443528099       13.1946684539       13.4210378213
  H        15.2835243304       12.4086628530       13.8903868176
  O        17.0523223351       15.1758554523       13.8846649546
  H        17.4970798258       14.6251821051       13.2139575790
  O        13.1666853230       15.0605210069       14.2307581055
  H        12.4367266651       15.1616939898       14.8646096996
  O        15.5278744041       15.1771585446       16.0868472004
  H        15.0177922629       15.2730862589       16.9102739125
  H        17.5353295950       15.0611140259       14.7268822311
  H        13.9826736448       13.0498730644       13.3025417432
  H        15.8519564399       17.5055962108       13.2798160633
      14
 i =      527, E =     -1643.7395963808
 Fe        14.9430586172       15.1729168953       14.3596727366
  O        15.0587292805       16.9385045327       13.2988261392
  H        14.2679109869       17.4942633533       13.1693075095
  O        14.9443530827       13.1946685461       13.4210378427
  H        15.2835231427       12.4086624759       13.8903868355
  O        17.0523222944       15.1758556431       13.8846652189
  H        17.4970782133       14.6251795657       13.2139584942
  O        13.1666861742       15.0605208963       14.2307565041
  H        12.4366938722       15.1617004094       14.8645674389
  O        15.5278740156       15.1771584701       16.0868480859
  H        15.0177817813       15.2730758057       16.9102693792
  H        17.5353293184       15.0611140807       14.7268822957
  H        13.9826735623       13.0498745351       13.3025410310
  H        15.8519641760       17.5055871887       13.2798187053
      14
 i =      528, E =     -1643.7395966520
 Fe        14.9430586648       15.1729168859       14.3596726617
  O        15.0587292815       16.9385045827       13.2988260866
  H        14.2679116849       17.4942646034       13.1693092944
  O        14.9443530849       13.1946685411       13.4210378496
  H        15.2835230335       12.4086624492       13.8903868341
  O        17.0523222904       15.1758556384       13.8846652210
  H        17.4970780564       14.6251793536       13.2139586228
  O        13.1666864749       15.0605208213       14.2307565608
  H        12.4366906749       15.1617010462       14.8645635562
  O        15.5278741642       15.1771585216       16.0868480544
  H        15.0177807033       15.2730748308       16.9102691284
  H        17.5353292944       15.0611140944       14.7268822913
  H        13.9826735773       13.0498746669       13.3025409643
  H        15.8519648680       17.5055863405       13.2798189644
      14
 i =      529, E =     -1643.7395963091
 Fe        14.9430584903       15.1729168161       14.3596730438
  O        15.0587301201       16.9385049733       13.2988264277
  H        14.2679196246       17.4942796449       13.1693307407
  O        14.9443530803       13.1946687224       13.4210378278
  H        15.2835217481       12.4086619780       13.8903868969
  O        17.0523222581       15.1758556369       13.8846650546
  H        17.4970761357       14.6251767811       13.2139599172
  O        13.1666879270       15.0605205891       14.2307549301
  H        12.4366542303       15.1617081827       14.8645174346
  O        15.5278741127       15.1771584962       16.0868485586
  H        15.0177689264       15.2730634035       16.9102646367
  H        17.5353291010       15.0611141450       14.7268825057
  H        13.9826737141       13.0498762825       13.3025401939
  H        15.8519733319       17.5055764643       13.2798218281
      14
 i =      530, E =     -1643.7395963209
 Fe        14.9430576288       15.1729167550       14.3596727338
  O        15.0587308049       16.9385052300       13.2988266634
  H        14.2679265380       17.4942929206       13.1693496330
  O        14.9443533444       13.1946687642       13.4210378614
  H        15.2835206021       12.4086616253       13.8903869245
  O        17.0523221874       15.1758558910       13.8846653038
  H        17.4970746222       14.6251742559       13.2139607449
  O        13.1666888605       15.0605204666       14.2307543562
  H        12.4366227771       15.1617144175       14.8644760658
  O        15.5278737091       15.1771586006       16.0868496379
  H        15.0177588685       15.2730532471       16.9102600487
  H        17.5353288436       15.0611142301       14.7268826169
  H        13.9826736209       13.0498777205       13.3025394875
  H        15.8519809279       17.5055678087       13.2798243054
      14
 i =      531, E =     -1643.7395963689
 Fe        14.9430575216       15.1729166683       14.3596731001
  O        15.0587318237       16.9385055932       13.2988269442
  H        14.2679349401       17.4943091824       13.1693726829
  O        14.9443534604       13.1946688894       13.4210378472
  H        15.2835192060       12.4086611356       13.8903870075
  O        17.0523221901       15.1758560149       13.8846652858
  H        17.4970726278       14.6251713265       13.2139619682
  O        13.1666905760       15.0605202235       14.2307532028
  H        12.4365836793       15.1617221541       14.8644257431
  O        15.5278734746       15.1771586737       16.0868504232
  H        15.0177462957       15.2730408529       16.9102547886
  H        17.5353285684       15.0611143201       14.7268828279
  H        13.9826736476       13.0498794918       13.3025386360
  H        15.8519900987       17.5055571534       13.2798273406
      14
 i =      532, E =     -1643.7395963359
 Fe        14.9430568816       15.1729166208       14.3596727112
  O        15.0587334623       16.9385060581       13.2988274744
  H        14.2679453108       17.4943295213       13.1694014017
  O        14.9443534951       13.1946691110       13.4210377480
  H        15.2835174766       12.4086604669       13.8903871871
  O        17.0523221479       15.1758561250       13.8846649997
  H        17.4970700665       14.6251677194       13.2139635860
  O        13.1666920781       15.0605200212       14.2307510234
  H        12.4365348683       15.1617318452       14.8643627686
  O        15.5278730954       15.1771585546       16.0868513316
  H        15.0177305029       15.2730253939       16.9102482994
  H        17.5353283294       15.0611143873       14.7268832854
  H        13.9826737527       13.0498817444       13.3025376096
  H        15.8520014718       17.5055438493       13.2798312185
      14
 i =      533, E =     -1643.7395963755
 Fe        14.9430565322       15.1729165067       14.3596731690
  O        15.0587340584       16.9385063277       13.2988274590
  H        14.2679526369       17.4943435259       13.1694213523
  O        14.9443536207       13.1946692035       13.4210377112
  H        15.2835162467       12.4086600514       13.8903873243
  O        17.0523221571       15.1758563113       13.8846649614
  H        17.4970683168       14.6251651361       13.2139646432
  O        13.1666936593       15.0605197824       14.2307503700
  H        12.4365008063       15.1617386585       14.8643186264
  O        15.5278729732       15.1771586685       16.0868520768
  H        15.0177194831       15.2730145752       16.9102436674
  H        17.5353281286       15.0611144376       14.7268835619
  H        13.9826737744       13.0498833278       13.3025368946
  H        15.8520095171       17.5055347142       13.2798339458
      14
 i =      534, E =     -1643.7395963464
 Fe        14.9430561798       15.1729164814       14.3596726933
  O        15.0587349204       16.9385067490       13.2988279009
  H        14.2679596151       17.4943567275       13.1694401061
  O        14.9443538071       13.1946692464       13.4210377664
  H        15.2835150394       12.4086597306       13.8903873892
  O        17.0523221705       15.1758564402       13.8846652807
  H        17.4970667169       14.6251626439       13.2139655866
  O        13.1666947588       15.0605196462       14.2307486998
  H        12.4364684788       15.1617451074       14.8642772446
  O        15.5278727585       15.1771585767       16.0868526375
  H        15.0177090456       15.2730044264       16.9102394702
  H        17.5353278180       15.0611145328       14.7268835845
  H        13.9826737510       13.0498847991       13.3025361980
  H        15.8520170050       17.5055260057       13.2798364494
      14
 i =      535, E =     -1643.7395964110
 Fe        14.9430556790       15.1729163726       14.3596730370
  O        15.0587356956       16.9385071135       13.2988281686
  H        14.2679675099       17.4943716824       13.1694613081
  O        14.9443539672       13.1946693374       13.4210378003
  H        15.2835136786       12.4086593283       13.8903874966
  O        17.0523221793       15.1758565562       13.8846653615
  H        17.4970648515       14.6251598731       13.2139667478
  O        13.1666964427       15.0605194102       14.2307476179
  H        12.4364317499       15.1617524740       14.8642300633
  O        15.5278725990       15.1771586534       16.0868533793
  H        15.0176972266       15.2729928707       16.9102345915
  H        17.5353275358       15.0611146316       14.7268837335
  H        13.9826737528       13.0498864713       13.3025354036
  H        15.8520255372       17.5055161773       13.2798392599
      14
 i =      536, E =     -1643.7395964836
 Fe        14.9430566532       15.1729164919       14.3596753043
  O        15.0587330113       16.9385061424       13.2988273810
  H        14.2679442089       17.4943270268       13.1693983009
  O        14.9443535770       13.1946689801       13.4210377298
  H        15.2835177308       12.4086606033       13.8903871138
  O        17.0523222533       15.1758561338       13.8846651527
  H        17.4970703914       14.6251682086       13.2139633196
  O        13.1666916515       15.0605201149       14.2307503449
  H        12.4365412448       15.1617304373       14.8643712416
  O        15.5278730628       15.1771583576       16.0868508595
  H        15.0177324329       15.2730273526       16.9102492610
  H        17.5353283356       15.0611143205       14.7268832267
  H        13.9826737041       13.0498814686       13.3025377838
  H        15.8520002852       17.5055455626       13.2798309836
      14
 i =      537, E =     -1643.7395966872
 Fe        14.9430566818       15.1729166515       14.3596719003
  O        15.0587341111       16.9385063591       13.2988277704
  H        14.2679519873       17.4943421803       13.1694196516
  O        14.9443537232       13.1946691465       13.4210377625
  H        15.2835164025       12.4086601490       13.8903872294
  O        17.0523221595       15.1758563392       13.8846653472
  H        17.4970685707       14.6251653762       13.2139643932
  O        13.1666928164       15.0605199293       14.2307494446
  H        12.4365048420       15.1617377103       14.8643238830
  O        15.5278728322       15.1771584350       16.0868522623
  H        15.0177207742       15.2730157558       16.9102442226
  H        17.5353280656       15.0611143986       14.7268833662
  H        13.9826736986       13.0498831439       13.3025369944
  H        15.8520087686       17.5055356406       13.2798338772
      14
 i =      538, E =     -1643.7395963561
 Fe        14.9430558971       15.1729163643       14.3596743809
  O        15.0587346660       16.9385067689       13.2988275511
  H        14.2679597918       17.4943570962       13.1694409038
  O        14.9443538563       13.1946691361       13.4210377144
  H        15.2835150971       12.4086597185       13.8903873853
  O        17.0523223300       15.1758564816       13.8846651680
  H        17.4970666432       14.6251626613       13.2139655686
  O        13.1666951586       15.0605195578       14.2307493265
  H        12.4364682591       15.1617450366       14.8642768471
  O        15.5278728135       15.1771587383       16.0868532066
  H        15.0177089885       15.2730041962       16.9102391908
  H        17.5353278484       15.0611144720       14.7268836563
  H        13.9826737003       13.0498848603       13.3025362066
  H        15.8520173281       17.5055258139       13.2798367044
      14
 i =      539, E =     -1643.7395962090
 Fe        14.9430558261       15.1729164210       14.3596722558
  O        15.0587354490       16.9385069903       13.2988278619
  H        14.2679652219       17.4943675142       13.1694555892
  O        14.9443538595       13.1946692851       13.4210377105
  H        15.2835141589       12.4086593979       13.8903874775
  O        17.0523222306       15.1758565479       13.8846651472
  H        17.4970653430       14.6251607560       13.2139664071
  O        13.1666962147       15.0605194233       14.2307482582
  H        12.4364427973       15.1617501502       14.8642441550
  O        15.5278728527       15.1771587054       16.0868533611
  H        15.0177006266       15.2729962201       16.9102361438
  H        17.5353277001       15.0611145271       14.7268838234
  H        13.9826737929       13.0498860163       13.3025356738
  H        15.8520231290       17.5055189481       13.2798386685
      14
 i =      540, E =     -1643.7395963355
 Fe        14.9430548207       15.1729162679       14.3596728354
  O        15.0587357016       16.9385070841       13.2988270102
  H        14.2679726535       17.4943820428       13.1694762736
  O        14.9443540217       13.1946692356       13.4210377058
  H        15.2835128787       12.4086589849       13.8903876549
  O        17.0523224231       15.1758568930       13.8846651813
  H        17.4970635164       14.6251579829       13.2139674612
  O        13.1666995930       15.0605189045       14.2307503101
  H        12.4364072482       15.1617573359       14.8641975478
  O        15.5278731807       15.1771593931       16.0868548433
  H        15.0176891469       15.2729848570       16.9102310581
  H        17.5353274449       15.0611146183       14.7268840672
  H        13.9826738441       13.0498877088       13.3025349266
  H        15.8520314594       17.5055094692       13.2798413653
      14
 i =      541, E =     -1643.7395964592
 Fe        14.9430562432       15.1729163553       14.3596734845
  O        15.0587374498       16.9385074733       13.2988277272
  H        14.2679789605       17.4943948785       13.1694940277
  O        14.9443542746       13.1946693823       13.4210376685
  H        15.2835117183       12.4086586363       13.8903877906
  O        17.0523223179       15.1758570079       13.8846654106
  H        17.4970619933       14.6251555558       13.2139683893
  O        13.1666994615       15.0605188462       14.2307477929
  H        12.4363760970       15.1617636125       14.8641576682
  O        15.5278727243       15.1771591271       16.0868549877
  H        15.0176790916       15.2729751110       16.9102269912
  H        17.5353271469       15.0611146916       14.7268841314
  H        13.9826737211       13.0498890889       13.3025342630
  H        15.8520382763       17.5055009750       13.2798438551
      14
 i =      542, E =     -1643.7395966080
 Fe        14.9430539535       15.1729162073       14.3596722106
  O        15.0587380876       16.9385079672       13.2988285232
  H        14.2679873142       17.4944101062       13.1695157888
  O        14.9443542385       13.1946695852       13.4210376564
  H        15.2835103099       12.4086581549       13.8903879769
  O        17.0523222677       15.1758569369       13.8846651837
  H        17.4970599692       14.6251527887       13.2139697364
  O        13.1667008059       15.0605187485       14.2307449596
  H        12.4363378246       15.1617713182       14.8641091935
  O        15.5278723323       15.1771588652       16.0868556318
  H        15.0176667980       15.2729632255       16.9102220492
  H        17.5353269650       15.0611147730       14.7268844650
  H        13.9826738617       13.0498908646       13.3025334818
  H        15.8520471800       17.5054909656       13.2798467472
      14
 i =      543, E =     -1643.7395964892
 Fe        14.9430549472       15.1729161419       14.3596739784
  O        15.0587388220       16.9385082930       13.2988288169
  H        14.2679953639       17.4944252944       13.1695372280
  O        14.9443543544       13.1946697067       13.4210376794
  H        15.2835088861       12.4086577460       13.8903881529
  O        17.0523222194       15.1758570545       13.8846652160
  H        17.4970580356       14.6251499442       13.2139709726
  O        13.1667022028       15.0605185326       14.2307439680
  H        12.4363001456       15.1617789720       14.8640605238
  O        15.5278720463       15.1771589451       16.0868562648
  H        15.0176546648       15.2729513779       16.9102169099
  H        17.5353266913       15.0611148736       14.7268846776
  H        13.9826739089       13.0498925879       13.3025326772
  H        15.8520558956       17.5054809926       13.2798496083
      14
 i =      544, E =     -1643.7395962415
 Fe        14.9430549429       15.1729162028       14.3596724462
  O        15.0587407758       16.9385086292       13.2988302756
  H        14.2680008992       17.4944361744       13.1695521606
  O        14.9443545277       13.1946700936       13.4210379531
  H        15.2835077555       12.4086575458       13.8903881406
  O        17.0523217539       15.1758569080       13.8846657168
  H        17.4970567517       14.6251479789       13.2139719418
  O        13.1667014714       15.0605186953       14.2307399326
  H        12.4362733794       15.1617843343       14.8640270134
  O        15.5278716821       15.1771582146       16.0868554170
  H        15.0176457550       15.2729432700       16.9102144185
  H        17.5353264095       15.0611149648       14.7268844562
  H        13.9826738358       13.0498936912       13.3025320991
  H        15.8520614649       17.5054737393       13.2798516255
      14
 i =      545, E =     -1643.7395964739
 Fe        14.9430528491       15.1729159506       14.3596730692
  O        15.0587405632       16.9385089733       13.2988302810
  H        14.2680082353       17.4944491801       13.1695708848
  O        14.9443546379       13.1946700561       13.4210378928
  H        15.2835065299       12.4086571963       13.8903883265
  O        17.0523218728       15.1758570528       13.8846655051
  H        17.4970550378       14.6251454727       13.2139730049
  O        13.1667025481       15.0605185844       14.2307398804
  H        12.4362408496       15.1617910260       14.8639837402
  O        15.5278709870       15.1771584639       16.0868572419
  H        15.0176356314       15.2729327813       16.9102090806
  H        17.5353262362       15.0611150482       14.7268848007
  H        13.9826738333       13.0498952740       13.3025313890
  H        15.8520695312       17.5054653035       13.2798541694
      14
 i =      546, E =     -1643.7395963616
 Fe        14.9430535922       15.1729159951       14.3596725056
  O        15.0587414270       16.9385093081       13.2988303705
  H        14.2680146495       17.4944614924       13.1695880732
  O        14.9443546882       13.1946701019       13.4210378980
  H        15.2835053707       12.4086568841       13.8903884875
  O        17.0523218923       15.1758571727       13.8846655797
  H        17.4970534665       14.6251431551       13.2139740211
  O        13.1667041234       15.0605183304       14.2307391539
  H        12.4362099751       15.1617973139       14.8639443353
  O        15.5278712037       15.1771585590       16.0868576689
  H        15.0176255616       15.2729232292       16.9102053814
  H        17.5353260012       15.0611151511       14.7268849174
  H        13.9826738732       13.0498966915       13.3025307136
  H        15.8520764077       17.5054571012       13.2798564836
      14
 i =      547, E =     -1643.7395966747
 Fe        14.9430525302       15.1729158958       14.3596731246
  O        15.0587423264       16.9385095704       13.2988304762
  H        14.2680214481       17.4944747166       13.1696065328
  O        14.9443548525       13.1946701503       13.4210378694
  H        15.2835041352       12.4086565248       13.8903886851
  O        17.0523219126       15.1758573738       13.8846655915
  H        17.4970518148       14.6251405853       13.2139750159
  O        13.1667056856       15.0605181173       14.2307386603
  H        12.4361771528       15.1618040683       14.8639015739
  O        15.5278708947       15.1771587166       16.0868586807
  H        15.0176151052       15.2729128755       16.9102006562
  H        17.5353257763       15.0611152575       14.7268851660
  H        13.9826738169       13.0498982298       13.3025299966
  H        15.8520839191       17.5054484152       13.2798589568
      14
 i =      548, E =     -1643.7395965808
 Fe        14.9430527204       15.1729158574       14.3596726192
  O        15.0587431874       16.9385098373       13.2988306140
  H        14.2680289163       17.4944890802       13.1696266079
  O        14.9443549608       13.1946702602       13.4210378214
  H        15.2835027841       12.4086561129       13.8903889345
  O        17.0523219296       15.1758575690       13.8846656093
  H        17.4970499928       14.6251377884       13.2139761431
  O        13.1667073091       15.0605178770       14.2307377324
  H        12.4361411043       15.1618114842       14.8638550489
  O        15.5278707121       15.1771588201       16.0868595458
  H        15.0176035504       15.2729016085       16.9101957222
  H        17.5353255181       15.0611153688       14.7268854116
  H        13.9826738068       13.0498999124       13.3025292259
  H        15.8520921302       17.5054389792       13.2798616784
      14
 i =      549, E =     -1643.7395965785
 Fe        14.9430520073       15.1729157729       14.3596734200
  O        15.0587443995       16.9385102293       13.2988309047
  H        14.2680375257       17.4945056692       13.1696498139
  O        14.9443550090       13.1946704298       13.4210376961
  H        15.2835012307       12.4086555944       13.8903892901
  O        17.0523219304       15.1758577687       13.8846655621
  H        17.4970478712       14.6251345394       13.2139774641
  O        13.1667087171       15.0605176841       14.2307361085
  H        12.4360994120       15.1618200959       14.8638010648
  O        15.5278704860       15.1771587589       16.0868602085
  H        15.0175900107       15.2728885862       16.9101901783
  H        17.5353252444       15.0611154789       14.7268857665
  H        13.9826738418       13.0499018957       13.3025283687
  H        15.8521015849       17.5054280802       13.2798648826
      14
 i =      550, E =     -1643.7395965164
 Fe        14.9430519746       15.1729156895       14.3596726274
  O        15.0587445965       16.9385103099       13.2988302579
  H        14.2680449606       17.4945202727       13.1696703249
  O        14.9443551296       13.1946704150       13.4210374575
  H        15.2834999601       12.4086550129       13.8903897368
  O        17.0523222347       15.1758582325       13.8846654404
  H        17.4970459997       14.6251315028       13.2139784117
  O        13.1667103367       15.0605172727       14.2307374501
  H        12.4360629602       15.1618277559       14.8637523431
  O        15.5278703627       15.1771593006       16.0868618878
  H        15.0175783262       15.2728768897       16.9101844325
  H        17.5353250257       15.0611155817       14.7268862353
  H        13.9826738129       13.0499037836       13.3025276012
  H        15.8521103244       17.5054186039       13.2798676620
      14
 i =      551, E =     -1643.7395966589
 Fe        14.9430509592       15.1729156464       14.3596728842
  O        15.0587459785       16.9385108935       13.2988307504
  H        14.2680513663       17.4945325282       13.1696873503
  O        14.9443555627       13.1946702560       13.4210377287
  H        15.2834986131       12.4086549974       13.8903897666
  O        17.0523223023       15.1758581782       13.8846656968
  H        17.4970443836       14.6251291608       13.2139795094
  O        13.1667127810       15.0605170086       14.2307350487
  H        12.4360309644       15.1618343251       14.8637132127
  O        15.5278703638       15.1771591815       16.0868620368
  H        15.0175681185       15.2728672998       16.9101806325
  H        17.5353246660       15.0611157135       14.7268861904
  H        13.9826736400       13.0499051782       13.3025269292
  H        15.8521168709       17.5054102577       13.2798699706
      14
 i =      552, E =     -1643.7395965698
 Fe        14.9430502778       15.1729155641       14.3596730687
  O        15.0587464189       16.9385111092       13.2988298417
  H        14.2680587257       17.4945469544       13.1697075536
  O        14.9443558099       13.1946701069       13.4210376195
  H        15.2834971889       12.4086546887       13.8903900838
  O        17.0523225847       15.1758584952       13.8846656466
  H        17.4970425156       14.6251262348       13.2139806304
  O        13.1667165200       15.0605164155       14.2307363116
  H        12.4359938839       15.1618420948       14.8636653822
  O        15.5278708471       15.1771598335       16.0868634628
  H        15.0175562512       15.2728557213       16.9101753090
  H        17.5353243583       15.0611158524       14.7268864123
  H        13.9826735795       13.0499069365       13.3025261474
  H        15.8521250478       17.5054006970       13.2798726955
      14
 i =      553, E =     -1643.7395968117
 Fe        14.9430522419       15.1729156178       14.3596727046
  O        15.0587472333       16.9385112832       13.2988305956
  H        14.2680650067       17.4945586669       13.1697239130
  O        14.9443552257       13.1946707029       13.4210372943
  H        15.2834961797       12.4086539764       13.8903905993
  O        17.0523222170       15.1758585554       13.8846653831
  H        17.4970409534       14.6251239371       13.2139817106
  O        13.1667148900       15.0605165346       14.2307348748
  H        12.4359646775       15.1618482422       14.8636258821
  O        15.5278706042       15.1771594776       16.0868633867
  H        15.0175462592       15.2728464563       16.9101717624
  H        17.5353242844       15.0611158726       14.7268868642
  H        13.9826740058       13.0499083932       13.3025256071
  H        15.8521318257       17.5053930703       13.2798750334
      14
 i =      554, E =     -1643.7395967040
 Fe        14.9430494603       15.1729153516       14.3596735342
  O        15.0587475248       16.9385114325       13.2988295787
  H        14.2680730580       17.4945743668       13.1697459779
  O        14.9443555278       13.1946707195       13.4210373849
  H        15.2834946275       12.4086535112       13.8903909582
  O        17.0523224358       15.1758588662       13.8846653102
  H        17.4970388607       14.6251207534       13.2139829818
  O        13.1667191344       15.0605157570       14.2307364723
  H        12.4359238089       15.1618568659       14.8635733458
  O        15.5278712468       15.1771602081       16.0868640206
  H        15.0175329017       15.2728338073       16.9101665406
  H        17.5353240548       15.0611160436       14.7268872081
  H        13.9826739998       13.0499103690       13.3025247805
  H        15.8521407168       17.5053826259       13.2798778283
      14
 i =      555, E =     -1643.7395966767
 Fe        14.9430509083       15.1729155311       14.3596720616
  O        15.0587496475       16.9385119141       13.2988307448
  H        14.2680803834       17.4945890213       13.1697659656
  O        14.9443564389       13.1946704483       13.4210377846
  H        15.2834929493       12.4086536128       13.8903909876
  O        17.0523225281       15.1758588586       13.8846659772
  H        17.4970369912       14.6251178245       13.2139841833
  O        13.1667200210       15.0605156688       14.2307323239
  H        12.4358856258       15.1618648057       14.8635264219
  O        15.5278698673       15.1771599419       16.0868657414
  H        15.0175215794       15.2728222151       16.9101604787
  H        17.5353234963       15.0611162282       14.7268869775
  H        13.9826734847       13.0499120073       13.3025239659
  H        15.8521484871       17.5053727998       13.2798806253
      14
 i =      556, E =     -1643.7395968177
 Fe        14.9430495277       15.1729153188       14.3596737229
  O        15.0587497114       16.9385120039       13.2988303181
  H        14.2680868380       17.4946008768       13.1697826928
  O        14.9443562994       13.1946708064       13.4210378157
  H        15.2834916920       12.4086532691       13.8903912811
  O        17.0523222921       15.1758588735       13.8846658078
  H        17.4970353669       14.6251155363       13.2139854464
  O        13.1667233617       15.0605151914       14.2307327589
  H        12.4358539514       15.1618714705       14.8634864813
  O        15.5278705994       15.1771602637       16.0868654945
  H        15.0175110718       15.2728126205       16.9101571232
  H        17.5353233521       15.0611163514       14.7268871222
  H        13.9826736665       13.0499134436       13.3025233492
  H        15.8521550840       17.5053648295       13.2798827438
      14
 i =      557, E =     -1643.7395966368
 Fe        14.9430499385       15.1729153588       14.3596719606
  O        15.0587504357       16.9385123536       13.2988311175
  H        14.2680939978       17.4946139446       13.1698010122
  O        14.9443558946       13.1946711791       13.4210375349
  H        15.2834904537       12.4086526619       13.8903917827
  O        17.0523220696       15.1758589793       13.8846656105
  H        17.4970336184       14.6251128690       13.2139866197
  O        13.1667217634       15.0605153862       14.2307313077
  H        12.4358207325       15.1618785567       14.8634413499
  O        15.5278702158       15.1771599629       16.0868662343
  H        15.0175000008       15.2728020426       16.9101525719
  H        17.5353232291       15.0611164294       14.7268875621
  H        13.9826740019       13.0499150998       13.3025226951
  H        15.8521627851       17.5053562544       13.2798853119
      14
 i =      558, E =     -1643.7395968357
 Fe        14.9430493904       15.1729151246       14.3596731118
  O        15.0587502259       16.9385123007       13.2988302136
  H        14.2681005888       17.4946262243       13.1698183454
  O        14.9443558833       13.1946713883       13.4210376727
  H        15.2834891580       12.4086523078       13.8903921015
  O        17.0523220366       15.1758591619       13.8846655669
  H        17.4970318945       14.6251104195       13.2139878603
  O        13.1667253552       15.0605147216       14.2307338365
  H        12.4357880779       15.1618855196       14.8633989852
  O        15.5278709055       15.1771606907       16.0868667728
  H        15.0174892372       15.2727919512       16.9101486210
  H        17.5353230349       15.0611165762       14.7268877452
  H        13.9826742110       13.0499166392       13.3025220673
  H        15.8521697640       17.5053480642       13.2798874422
      14
 i =      559, E =     -1643.7395968209
 Fe        14.9430486509       15.1729152596       14.3596726689
  O        15.0587527693       16.9385127835       13.2988312185
  H        14.2681075190       17.4946407355       13.1698378746
  O        14.9443567878       13.1946711268       13.4210379504
  H        15.2834875213       12.4086523497       13.8903922266
  O        17.0523221360       15.1758592821       13.8846660798
  H        17.4970300751       14.6251074340       13.2139889990
  O        13.1667263141       15.0605146403       14.2307296562
  H        12.4357500468       15.1618935138       14.8633521665
  O        15.5278697911       15.1771603842       16.0868682338
  H        15.0174777772       15.2727804775       16.9101429158
  H        17.5353225847       15.0611167634       14.7268877108
  H        13.9826736808       13.0499182918       13.3025212679
  H        15.8521772632       17.5053383258       13.2798901945
      14
 i =      560, E =     -1643.7395966715
 Fe        14.9430484957       15.1729151151       14.3596728070
  O        15.0587529171       16.9385128311       13.2988307229
  H        14.2681151374       17.4946552247       13.1698580897
  O        14.9443571164       13.1946711788       13.4210380314
  H        15.2834858837       12.4086521845       13.8903925614
  O        17.0523221705       15.1758594645       13.8846661863
  H        17.4970281218       14.6251044547       13.2139903845
  O        13.1667296135       15.0605141088       14.2307302482
  H        12.4357112716       15.1619017770       14.8633028299
  O        15.5278700044       15.1771608659       16.0868697493
  H        15.0174655303       15.2727685814       16.9101375387
  H        17.5353222575       15.0611169416       14.7268877347
  H        13.9826735190       13.0499200650       13.3025204714
  H        15.8521854261       17.5053286633       13.2798927933
      14
 i =      561, E =     -1643.7395968643
 Fe        14.9430483928       15.1729150152       14.3596731542
  O        15.0587520439       16.9385132503       13.2988318284
  H        14.2681164512       17.4946553193       13.1698590108
  O        14.9443557559       13.1946718279       13.4210373746
  H        15.2834861871       12.4086513550       13.8903930270
  O        17.0523218568       15.1758593141       13.8846654410
  H        17.4970279531       14.6251044212       13.2139904902
  O        13.1667254188       15.0605147864       14.2307282726
  H        12.4357111123       15.1619018784       14.8632995654
  O        15.5278700603       15.1771600240       16.0868677876
  H        15.0174642501       15.2727682862       16.9101385774
  H        17.5353225725       15.0611168369       14.7268884858
  H        13.9826744360       13.0499202818       13.3025205360
  H        15.8521868025       17.5053288906       13.2798931519
      14
 i =      562, E =     -1643.7395966022
 Fe        14.9430439592       15.1729152644       14.3596687924
  O        15.0587619869       16.9385151589       13.2988362279
  H        14.2681477146       17.4947179843       13.1699440138
  O        14.9443588545       13.1946711312       13.4210386660
  H        15.2834789881       12.4086508692       13.8903940467
  O        17.0523217615       15.1758598954       13.8846674463
  H        17.4970198401       14.6250913088       13.2139954030
  O        13.1667291499       15.0605146754       14.2307136360
  H        12.4355465798       15.1619368201       14.8630908947
  O        15.5278663012       15.1771587143       16.0868724364
  H        15.0174125978       15.2727181479       16.9101155731
  H        17.5353209836       15.0611175157       14.7268890842
  H        13.9826731237       13.0499279766       13.3025169957
  H        15.8522207171       17.5052871702       13.2799052152
      14
 i =      563, E =     -1643.7395967901
 Fe        14.9430461399       15.1729145975       14.3596740533
  O        15.0587606473       16.9385155792       13.2988360663
  H        14.2681550660       17.4947295831       13.1699610082
  O        14.9443588559       13.1946711578       13.4210386263
  H        15.2834775219       12.4086507343       13.8903943783
  O        17.0523221165       15.1758596922       13.8846673266
  H        17.4970179777       14.6250889349       13.2139968104
  O        13.1667310161       15.0605144275       14.2307125783
  H        12.4355131464       15.1619440360       14.8630485628
  O        15.5278658267       15.1771588064       16.0868730581
  H        15.0174022011       15.2727080103       16.9101107197
  H        17.5353205695       15.0611176385       14.7268890230
  H        13.9826729531       13.0499295787       13.3025162448
  H        15.8522285922       17.5052797405       13.2799077338
      14
 i =      564, E =     -1643.7395963627
 Fe        14.9430460187       15.1729145821       14.3596730211
  O        15.0587564750       16.9385155423       13.2988341538
  H        14.2681629271       17.4947407277       13.1699779389
  O        14.9443565633       13.1946722924       13.4210372066
  H        15.2834769584       12.4086492743       13.8903956604
  O        17.0523221171       15.1758599615       13.8846657284
  H        17.4970161693       14.6250864939       13.2139982241
  O        13.1667317067       15.0605142049       14.2307177861
  H        12.4354833763       15.1619507382       14.8630042105
  O        15.5278667589       15.1771596278       16.0868737446
  H        15.0173914401       15.2726980697       16.9101065920
  H        17.5353207530       15.0611177023       14.7268900764
  H        13.9826742195       13.0499313140       13.3025158202
  H        15.8522373857       17.5052726640       13.2799099561
      14
 i =      565, E =     -1643.7395968425
 Fe        14.9430440180       15.1729147113       14.3596722985
  O        15.0587606860       16.9385158393       13.2988350229
  H        14.2681679796       17.4947533732       13.1699939656
  O        14.9443573086       13.1946721468       13.4210375382
  H        15.2834754622       12.4086492739       13.8903959034
  O        17.0523219080       15.1758602618       13.8846662821
  H        17.4970146921       14.6250837603       13.2139990667
  O        13.1667337482       15.0605140068       14.2307156024
  H        12.4354509161       15.1619577673       14.8629633487
  O        15.5278672065       15.1771593518       16.0868734870
  H        15.0173805946       15.2726884231       16.9101031125
  H        17.5353204588       15.0611178236       14.7268902020
  H        13.9826738527       13.0499328261       13.3025151178
  H        15.8522428734       17.5052639654       13.2799122880
      14
 i =      566, E =     -1643.7395970258
 Fe        14.9430466178       15.1729142976       14.3596751764
  O        15.0587591110       16.9385162399       13.2988342866
  H        14.2681795364       17.4947725889       13.1700216435
  O        14.9443567827       13.1946724942       13.4210371687
  H        15.2834734656       12.4086483996       13.8903969215
  O        17.0523220065       15.1758605492       13.8846657081
  H        17.4970117785       14.6250795037       13.2140010363
  O        13.1667358587       15.0605135122       14.2307166190
  H        12.4353977563       15.1619694703       14.8628922515
  O        15.5278673530       15.1771598636       16.0868742739
  H        15.0173628832       15.2726718599       16.9100959055
  H        17.5353201860       15.0611180141       14.7268909866
  H        13.9826743196       13.0499356226       13.3025141068
  H        15.8522555176       17.5052513895       13.2799160176
      14
 i =      567, E =     -1643.7395968724
 Fe        14.9430422283       15.1729146354       14.3596697682
  O        15.0587630238       16.9385165245       13.2988351310
  H        14.2681849756       17.4947857472       13.1700383119
  O        14.9443585176       13.1946717629       13.4210379525
  H        15.2834716786       12.4086490814       13.8903967983
  O        17.0523222943       15.1758606742       13.8846668273
  H        17.4970102007       14.6250766427       13.2140020080
  O        13.1667389946       15.0605131843       14.2307129234
  H        12.4353626138       15.1619770823       14.8628504007
  O        15.5278661363       15.1771598548       16.0868769134
  H        15.0173529547       15.2726614840       16.9100899691
  H        17.5353195146       15.0611182592       14.7268905035
  H        13.9826732358       13.0499370923       13.3025133683
  H        15.8522613576       17.5052423157       13.2799185433
      14
 i =      568, E =     -1643.7395969037
 Fe        14.9430469216       15.1729142833       14.3596770244
  O        15.0587642718       16.9385170123       13.2988347645
  H        14.2681954386       17.4948062897       13.1700662047
  O        14.9443585680       13.1946718831       13.4210377832
  H        15.2834693241       12.4086488221       13.8903975927
  O        17.0523223466       15.1758609192       13.8846667466
  H        17.4970073883       14.6250721607       13.2140040147
  O        13.1667416682       15.0605126712       14.2307129044
  H        12.4353068954       15.1619893057       14.8627781257
  O        15.5278666885       15.1771600706       16.0868771138
  H        15.0173345308       15.2726445408       16.9100826826
  H        17.5353189920       15.0611184969       14.7268907277
  H        13.9826730303       13.0499397201       13.3025122081
  H        15.8522726973       17.5052284749       13.2799224527
      14
 i =      569, E =     -1643.7395970960
 Fe        14.9430473870       15.1729141149       14.3596765466
  O        15.0587604531       16.9385172540       13.2988353011
  H        14.2681989678       17.4948072308       13.1700695037
  O        14.9443559586       13.1946733156       13.4210365363
  H        15.2834697571       12.4086472652       13.8903985515
  O        17.0523216074       15.1758607057       13.8846652298
  H        17.4970068640       14.6250719040       13.2140045631
  O        13.1667368273       15.0605132747       14.2307124229
  H        12.4353031101       15.1619904009       14.8627681368
  O        15.5278665685       15.1771594861       16.0868742787
  H        15.0173315979       15.2726428660       16.9100835549
  H        17.5353195103       15.0611183554       14.7268919897
  H        13.9826747931       13.0499402568       13.3025123738
  H        15.8522761520       17.5052283587       13.2799230791
      14
 i =      570, E =     -1643.7395968664
 Fe        14.9430389297       15.1729144637       14.3596728558
  O        15.0587657917       16.9385172845       13.2988360579
  H        14.2682036615       17.4948208133       13.1700859947
  O        14.9443587541       13.1946721967       13.4210378572
  H        15.2834677146       12.4086483392       13.8903981976
  O        17.0523220996       15.1758609623       13.8846668643
  H        17.4970053421       14.6250689057       13.2140053847
  O        13.1667426861       15.0605127395       14.2307086338
  H        12.4352667935       15.1619982348       14.8627266758
  O        15.5278655684       15.1771597082       16.0868781196
  H        15.0173218328       15.2726323920       16.9100772278
  H        17.5353187519       15.0611186462       14.7268912597
  H        13.9826731430       13.0499417122       13.3025115338
  H        15.8522813734       17.5052189107       13.2799254868
      14
 i =      571, E =     -1643.7395969006
 Fe        14.9430484154       15.1729141486       14.3596732250
  O        15.0587650256       16.9385177591       13.2988363199
  H        14.2682142041       17.4948376859       13.1701102168
  O        14.9443577621       13.1946730431       13.4210376830
  H        15.2834657020       12.4086475180       13.8903991317
  O        17.0523215721       15.1758609104       13.8846664492
  H        17.4970026671       14.6250652425       13.2140074677
  O        13.1667427122       15.0605124888       14.2307087497
  H        12.4352187330       15.1620088853       14.8626625827
  O        15.5278669060       15.1771595938       16.0868769640
  H        15.0173048607       15.2726177941       16.9100727225
  H        17.5353185793       15.0611187742       14.7268918171
  H        13.9826739027       13.0499441498       13.3025106019
  H        15.8522919794       17.5052076825       13.2799289049
      14
 i =      572, E =     -1643.7395970289
 Fe        14.9430363380       15.1729139997       14.3596708432
  O        15.0587664860       16.9385180313       13.2988365909
  H        14.2682246851       17.4948573329       13.1701370654
  O        14.9443580599       13.1946732836       13.4210377423
  H        15.2834633310       12.4086470878       13.8903999207
  O        17.0523217384       15.1758610339       13.8846664795
  H        17.4969998484       14.6250608880       13.2140094388
  O        13.1667467942       15.0605121614       14.2307073887
  H        12.4351640218       15.1620210639       14.8625918970
  O        15.5278661421       15.1771598838       16.0868797249
  H        15.0172878225       15.2726010948       16.9100644100
  H        17.5353182255       15.0611190366       14.7268922176
  H        13.9826738300       13.0499469063       13.3025095654
  H        15.8523032192       17.5051946328       13.2799326944
      14
 i =      573, E =     -1643.7395968971
 Fe        14.9430466721       15.1729142532       14.3596721231
  O        15.0587681391       16.9385183276       13.2988369248
  H        14.2682310593       17.4948702245       13.1701540816
  O        14.9443586065       13.1946731222       13.4210379176
  H        15.2834617057       12.4086471154       13.8904003375
  O        17.0523217500       15.1758611367       13.8846669453
  H        17.4969980619       14.6250580665       13.2140107010
  O        13.1667469141       15.0605118640       14.2307055704
  H        12.4351281547       15.1620289725       14.8625467919
  O        15.5278655966       15.1771599032       16.0868804237
  H        15.0172766296       15.2725904055       16.9100593237
  H        17.5353177263       15.0611192463       14.7268921232
  H        13.9826734666       13.0499484944       13.3025087642
  H        15.8523101418       17.5051859341       13.2799351938
      14
 i =      574, E =     -1643.7395969975
 Fe        14.9430405264       15.1729138979       14.3596751445
  O        15.0587669167       16.9385189611       13.2988379219
  H        14.2682387264       17.4948818824       13.1701708340
  O        14.9443571314       13.1946737559       13.4210370269
  H        15.2834607345       12.4086461369       13.8904013939
  O        17.0523211751       15.1758611726       13.8846661235
  H        17.4969963307       14.6250552415       13.2140117951
  O        13.1667428778       15.0605125194       14.2307023990
  H        12.4350963258       15.1620363575       14.8625011603
  O        15.5278640730       15.1771590522       16.0868792850
  H        15.0172652156       15.2725801847       16.9100552588
  H        17.5353178020       15.0611193768       14.7268932761
  H        13.9826742724       13.0499504300       13.3025083240
  H        15.8523186185       17.5051783780       13.2799376892
      14
 i =      575, E =     -1643.7395971631
 Fe        14.9430405611       15.1729140511       14.3596699865
  O        15.0587701926       16.9385190151       13.2988381635
  H        14.2682442932       17.4948951525       13.1701875970
  O        14.9443590677       13.1946730618       13.4210379120
  H        15.2834588424       12.4086467791       13.8904014109
  O        17.0523216755       15.1758612904       13.8846671655
  H        17.4969945548       14.6250523349       13.2140129391
  O        13.1667480626       15.0605118517       14.2306997190
  H        12.4350589948       15.1620445638       14.8624577457
  O        15.5278632484       15.1771594094       16.0868820324
  H        15.0172547189       15.2725694340       16.9100492370
  H        17.5353170916       15.0611196743       14.7268927691
  H        13.9826730353       13.0499520002       13.3025074865
  H        15.8523248526       17.5051692914       13.2799401311
      14
 i =      576, E =     -1643.7395969271
 Fe        14.9430404303       15.1729138044       14.3596740934
  O        15.0587701261       16.9385194005       13.2988380859
  H        14.2682514396       17.4949075486       13.1702048183
  O        14.9443585984       13.1946733919       13.4210376561
  H        15.2834574174       12.4086462883       13.8904021636
  O        17.0523217223       15.1758613639       13.8846667948
  H        17.4969926320       14.6250495459       13.2140143549
  O        13.1667496475       15.0605116455       14.2306998424
  H        12.4350236433       15.1620525618       14.8624110957
  O        15.5278635683       15.1771595023       16.0868820899
  H        15.0172428846       15.2725586799       16.9100446758
  H        17.5353168854       15.0611198272       14.7268932240
  H        13.9826733006       13.0499538338       13.3025068195
  H        15.8523325213       17.5051610375       13.2799426030
      14
 i =      577, E =     -1643.7395969500
 Fe        14.9430401697       15.1729140915       14.3596713874
  O        15.0587722592       16.9385197627       13.2988386160
  H        14.2682628716       17.4949294784       13.1702342344
  O        14.9443589084       13.1946735513       13.4210377765
  H        15.2834547144       12.4086459279       13.8904031572
  O        17.0523215091       15.1758618500       13.8846672662
  H        17.4969895907       14.6250443336       13.2140163410
  O        13.1667510346       15.0605114157       14.2306985399
  H        12.4349627535       15.1620663485       14.8623308324
  O        15.5278634822       15.1771594760       16.0868838499
  H        15.0172229018       15.2725401397       16.9100364395
  H        17.5353163748       15.0611201208       14.7268936098
  H        13.9826731137       13.0499569248       13.3025056216
  H        15.8523448861       17.5051463137       13.2799468929
      14
 i =      578, E =     -1643.7395970838
 Fe        14.9430392818       15.1729137414       14.3596735102
  O        15.0587727955       16.9385198969       13.2988381543
  H        14.2682690138       17.4949416071       13.1702506403
  O        14.9443593677       13.1946733303       13.4210378737
  H        15.2834531656       12.4086458063       13.8904037467
  O        17.0523218653       15.1758623431       13.8846674951
  H        17.4969878838       14.6250412447       13.2140171744
  O        13.1667529375       15.0605108690       14.2307007411
  H        12.4349288269       15.1620741762       14.8622851040
  O        15.5278638826       15.1771599799       16.0868853977
  H        15.0172116767       15.2725296225       16.9100312057
  H        17.5353159948       15.0611202950       14.7268939360
  H        13.9826728001       13.0499587433       13.3025048977
  H        15.8523519380       17.5051381832       13.2799492509
      14
 i =      579, E =     -1643.7395972238
 Fe        14.9430386868       15.1729136178       14.3596723317
  O        15.0587727011       16.9385204215       13.2988382669
  H        14.2682766461       17.4949543066       13.1702683491
  O        14.9443587077       13.1946738295       13.4210374962
  H        15.2834516797       12.4086452347       13.8904046148
  O        17.0523220988       15.1758619251       13.8846664507
  H        17.4969855833       14.6250386618       13.2140191350
  O        13.1667569475       15.0605104425       14.2306971130
  H        12.4348895544       15.1620829281       14.8622384900
  O        15.5278637901       15.1771599666       16.0868857235
  H        15.0171994542       15.2725184295       16.9100263510
  H        17.5353158777       15.0611204426       14.7268945128
  H        13.9826732490       13.0499606361       13.3025042603
  H        15.8523597654       17.5051295668       13.2799518060
      14
 i =      580, E =     -1643.7395972334
 Fe        14.9430377705       15.1729137905       14.3596717085
  O        15.0587740937       16.9385204046       13.2988380088
  H        14.2682825436       17.4949666457       13.1702846089
  O        14.9443594441       13.1946735470       13.4210377754
  H        15.2834500868       12.4086452615       13.8904051383
  O        17.0523222934       15.1758623636       13.8846670742
  H        17.4969838914       14.6250356330       13.2140201934
  O        13.1667603312       15.0605098890       14.2306986075
  H        12.4348544671       15.1620909256       14.8621934389
  O        15.5278640615       15.1771605188       16.0868882660
  H        15.0171885154       15.2725078351       16.9100206931
  H        17.5353154610       15.0611206643       14.7268945695
  H        13.9826728783       13.0499623786       13.3025035495
  H        15.8523664326       17.5051212264       13.2799541174
      14
 i =      581, E =     -1643.7395971096
 Fe        14.9430403536       15.1729134809       14.3596758620
  O        15.0587746975       16.9385208513       13.2988382939
  H        14.2682888702       17.4949778046       13.1702997983
  O        14.9443591843       13.1946738394       13.4210374930
  H        15.2834487230       12.4086448822       13.8904058546
  O        17.0523218910       15.1758626650       13.8846672365
  H        17.4969823689       14.6250327821       13.2140212276
  O        13.1667573759       15.0605102017       14.2306983695
  H        12.4348240192       15.1620980325       14.8621495479
  O        15.5278645144       15.1771601550       16.0868863055
  H        15.0171769836       15.2724982805       16.9100178414
  H        17.5353152399       15.0611207739       14.7268948683
  H        13.9826730959       13.0499639939       13.3025029727
  H        15.8523730156       17.5051137126       13.2799563830
      14
 i =      582, E =     -1643.7395971779
 Fe        14.9430350402       15.1729137850       14.3596710221
  O        15.0587757408       16.9385209369       13.2988382934
  H        14.2682978997       17.4949949897       13.1703228702
  O        14.9443596118       13.1946739045       13.4210376783
  H        15.2834464858       12.4086446838       13.8904067122
  O        17.0523220585       15.1758627648       13.8846671794
  H        17.4969797769       14.6250286978       13.2140230248
  O        13.1667619153       15.0605095076       14.2306965827
  H        12.4347734846       15.1621095545       14.8620863147
  O        15.5278641458       15.1771605171       16.0868889165
  H        15.0171612451       15.2724833357       16.9100106219
  H        17.5353148310       15.0611210722       14.7268952680
  H        13.9826728640       13.0499664629       13.3025020562
  H        15.8523827566       17.5051021149       13.2799596715
      14
 i =      583, E =     -1643.7395971930
 Fe        14.9430393904       15.1729132982       14.3596723315
  O        15.0587764372       16.9385212285       13.2988388120
  H        14.2683042282       17.4950063455       13.1703381795
  O        14.9443595153       13.1946741435       13.4210375604
  H        15.2834450285       12.4086444272       13.8904074043
  O        17.0523221103       15.1758625981       13.8846668896
  H        17.4969778939       14.6250261863       13.2140245468
  O        13.1667628406       15.0605094078       14.2306936327
  H        12.4347394240       15.1621172753       14.8620440254
  O        15.5278631074       15.1771604048       16.0868898246
  H        15.0171509259       15.2724733254       16.9100052585
  H        17.5353145568       15.0611212091       14.7268955617
  H        13.9826729482       13.0499680830       13.3025014359
  H        15.8523895404       17.5050945734       13.2799619878
      14
 i =      584, E =     -1643.7395972843
 Fe        14.9430380097       15.1729132532       14.3596742171
  O        15.0587760926       16.9385213152       13.2988377614
  H        14.2683093402       17.4950157627       13.1703511713
  O        14.9443593221       13.1946742832       13.4210374275
  H        15.2834439340       12.4086440631       13.8904080948
  O        17.0523220782       15.1758628275       13.8846667265
  H        17.4969763564       14.6250239336       13.2140256935
  O        13.1667660843       15.0605087801       14.2306960824
  H        12.4347113522       15.1621237912       14.8620077143
  O        15.5278636087       15.1771611416       16.0868900791
  H        15.0171415795       15.2724649106       16.9100018441
  H        17.5353144591       15.0611213932       14.7268958841
  H        13.9826731446       13.0499696006       13.3025009776
  H        15.8523950588       17.5050880964       13.2799636412
      14
 i =      585, E =     -1643.7395971338
 Fe        14.9430362341       15.1729135386       14.3596710800
  O        15.0587783458       16.9385216811       13.2988387177
  H        14.2683149402       17.4950270321       13.1703658069
  O        14.9443601359       13.1946740620       13.4210377141
  H        15.2834423284       12.4086442067       13.8904085038
  O        17.0523219870       15.1758631934       13.8846677805
  H        17.4969749790       14.6250209206       13.2140264715
  O        13.1667642749       15.0605091136       14.2306945961
  H        12.4346805179       15.1621309927       14.8619648408
  O        15.5278637977       15.1771606574       16.0868900460
  H        15.0171307233       15.2724553926       16.9099980361
  H        17.5353139765       15.0611215923       14.7268957352
  H        13.9826727151       13.0499711331       13.3025003227
  H        15.8524009529       17.5050804131       13.2799658773
      14
 i =      586, E =     -1643.7395970533
 Fe        14.9430375978       15.1729131681       14.3596750313
  O        15.0587783344       16.9385218764       13.2988389828
  H        14.2683206798       17.4950366567       13.1703791224
  O        14.9443595953       13.1946746140       13.4210377138
  H        15.2834410623       12.4086438538       13.8904091601
  O        17.0523216107       15.1758628299       13.8846669897
  H        17.4969731805       14.6250189576       13.2140281617
  O        13.1667672638       15.0605088072       14.2306919571
  H        12.4346500240       15.1621378320       14.8619288504
  O        15.5278636382       15.1771605910       16.0868898915
  H        15.0171210695       15.2724468287       16.9099947678
  H        17.5353140407       15.0611217113       14.7268962573
  H        13.9826731445       13.0499726217       13.3024998611
  H        15.8524066238       17.5050738166       13.2799676094
      14
 i =      587, E =     -1643.7395970518
 Fe        14.9430357648       15.1729133696       14.3596701710
  O        15.0587789568       16.9385220133       13.2988393862
  H        14.2683259607       17.4950462355       13.1703919685
  O        14.9443599906       13.1946745682       13.4210377876
  H        15.2834397450       12.4086437971       13.8904096564
  O        17.0523217046       15.1758630696       13.8846675561
  H        17.4969718482       14.6250164312       13.2140289897
  O        13.1667666914       15.0605088852       14.2306913657
  H        12.4346225548       15.1621442842       14.8618912867
  O        15.5278630640       15.1771605747       16.0868915081
  H        15.0171122611       15.2724382904       16.9099902492
  H        17.5353136822       15.0611219009       14.7268962596
  H        13.9826729342       13.0499740159       13.3024993065
  H        15.8524123458       17.5050674556       13.2799695319
      14
 i =      588, E =     -1643.7395972686
 Fe        14.9430374033       15.1729131045       14.3596723997
  O        15.0587791714       16.9385220954       13.2988387284
  H        14.2683324500       17.4950580810       13.1704080109
  O        14.9443601015       13.1946747436       13.4210379858
  H        15.2834380652       12.4086436925       13.8904103046
  O        17.0523215871       15.1758633086       13.8846678008
  H        17.4969700429       14.6250134989       13.2140303404
  O        13.1667691590       15.0605082988       14.2306940184
  H        12.4345877379       15.1621523953       14.8618448313
  O        15.5278640178       15.1771610841       16.0868909693
  H        15.0171000777       15.2724278377       16.9099866219
  H        17.5353133326       15.0611221314       14.7268963386
  H        13.9826729550       13.0499757291       13.3024986572
  H        15.8524189423       17.5050593253       13.2799716671
      14
 i =      589, E =     -1643.7395972511
 Fe        14.9430342855       15.1729131943       14.3596731748
  O        15.0587807379       16.9385222944       13.2988394320
  H        14.2683383141       17.4950695687       13.1704230447
  O        14.9443601437       13.1946749226       13.4210378362
  H        15.2834365914       12.4086434553       13.8904110212
  O        17.0523216711       15.1758632036       13.8846672751
  H        17.4969681967       14.6250108612       13.2140317755
  O        13.1667713445       15.0605081299       14.2306894907
  H        12.4345527001       15.1621604122       14.8618028289
  O        15.5278623866       15.1771609679       16.0868932304
  H        15.0170902061       15.2724176852       16.9099804711
  H        17.5353131914       15.0611222955       14.7268968810
  H        13.9826729032       13.0499773912       13.3024980596
  H        15.8524253938       17.5050516879       13.2799739279
      14
 i =      590, E =     -1643.7395972333
 Fe        14.9430353664       15.1729131497       14.3596718488
  O        15.0587806779       16.9385222157       13.2988388520
  H        14.2683430434       17.4950786663       13.1704352931
  O        14.9443604979       13.1946748027       13.4210377997
  H        15.2834354068       12.4086433252       13.8904116607
  O        17.0523219063       15.1758636410       13.8846675289
  H        17.4969668590       14.6250084075       13.2140325727
  O        13.1667731315       15.0605077422       14.2306918209
  H        12.4345261558       15.1621666725       14.8617668421
  O        15.5278623890       15.1771615755       16.0868956276
  H        15.0170818949       15.2724094187       16.9099756164
  H        17.5353129263       15.0611224842       14.7268970894
  H        13.9826727069       13.0499788266       13.3024975397
  H        15.8524308717       17.5050455991       13.2799755787
      14
 i =      591, E =     -1643.7395972222
 Fe        14.9430362275       15.1729131399       14.3596724527
  O        15.0587808822       16.9385224762       13.2988394763
  H        14.2683432901       17.4950784202       13.1704350262
  O        14.9443603508       13.1946749128       13.4210378597
  H        15.2834353764       12.4086433494       13.8904115724
  O        17.0523216727       15.1758634779       13.8846677592
  H        17.4969669185       14.6250084750       13.2140325855
  O        13.1667709920       15.0605080617       14.2306899611
  H        12.4345267417       15.1621665313       14.8617673346
  O        15.5278625101       15.1771610285       16.0868937054
  H        15.0170813860       15.2724097216       16.9099769171
  H        17.5353128652       15.0611224749       14.7268969133
  H        13.9826727853       13.0499787374       13.3024975425
  H        15.8524307739       17.5050457390       13.2799756745
      14
 i =      592, E =     -1643.7395972865
 Fe        14.9430343731       15.1729130524       14.3596732121
  O        15.0587817331       16.9385227803       13.2988399418
  H        14.2683487627       17.4950884870       13.1704483918
  O        14.9443603742       13.1946749773       13.4210377972
  H        15.2834340428       12.4086431939       13.8904122173
  O        17.0523216622       15.1758635323       13.8846676074
  H        17.4969653619       14.6250059690       13.2140337105
  O        13.1667718939       15.0605080336       14.2306878310
  H        12.4344965912       15.1621735643       14.8617286287
  O        15.5278621453       15.1771608515       16.0868942239
  H        15.0170716726       15.2724007872       16.9099727288
  H        17.5353126762       15.0611226403       14.7268973221
  H        13.9826727701       13.0499802688       13.3024969973
  H        15.8524366556       17.5050389323       13.2799776771
      14
 i =      593, E =     -1643.7395972754
 Fe        14.9430336718       15.1729129354       14.3596720734
  O        15.0587821797       16.9385229683       13.2988395580
  H        14.2683546907       17.4950994699       13.1704631742
  O        14.9443606357       13.1946748297       13.4210377896
  H        15.2834325267       12.4086431500       13.8904128708
  O        17.0523218517       15.1758637842       13.8846676765
  H        17.4969636618       14.6250031269       13.2140348995
  O        13.1667747364       15.0605076247       14.2306884029
  H        12.4344634910       15.1621813404       14.8616854022
  O        15.5278624269       15.1771612440       16.0868955382
  H        15.0170610078       15.2723908704       16.9099679168
  H        17.5353123705       15.0611228512       14.7268975535
  H        13.9826726561       13.0499819408       13.3024963760
  H        15.8524431615       17.5050315616       13.2799797903
      14
 i =      594, E =     -1643.7395970669
 Fe        14.9430354608       15.1729130317       14.3596742970
  O        15.0587832486       16.9385233019       13.2988399675
  H        14.2683606585       17.4951105861       13.1704778919
  O        14.9443604995       13.1946751304       13.4210376242
  H        15.2834311010       12.4086428053       13.8904137081
  O        17.0523217846       15.1758638309       13.8846676692
  H        17.4969619233       14.6250003529       13.2140361891
  O        13.1667747299       15.0605075477       14.2306866446
  H        12.4344302835       15.1621891282       14.8616421023
  O        15.5278623458       15.1771610320       16.0868953307
  H        15.0170498751       15.2723810304       16.9099637756
  H        17.5353121040       15.0611230403       14.7268978645
  H        13.9826727117       13.0499836180       13.3024957686
  H        15.8524495136       17.5050240095       13.2799819845
      14
 i =      595, E =     -1643.7395972726
 Fe        14.9430329916       15.1729129100       14.3596710983
  O        15.0587838300       16.9385235259       13.2988404201
  H        14.2683662802       17.4951206054       13.1704912983
  O        14.9443607346       13.1946751665       13.4210377196
  H        15.2834296978       12.4086427283       13.8904143123
  O        17.0523217354       15.1758639326       13.8846677753
  H        17.4969603874       14.6249977316       13.2140372673
  O        13.1667757719       15.0605074753       14.2306848206
  H        12.4343997690       15.1621963022       14.8616027876
  O        15.5278619322       15.1771609461       16.0868963311
  H        15.0170401334       15.2723719757       16.9099594226
  H        17.5353118748       15.0611232341       14.7268981456
  H        13.9826725674       13.0499851572       13.3024951968
  H        15.8524554954       17.5050172388       13.2799839358
      14
 i =      596, E =     -1643.7395973324
 Fe        14.9430346943       15.1729128795       14.3596734887
  O        15.0587849071       16.9385238736       13.2988410997
  H        14.2683721070       17.4951312936       13.1705054221
  O        14.9443606516       13.1946753430       13.4210376403
  H        15.2834282568       12.4086425166       13.8904150840
  O        17.0523217778       15.1758638305       13.8846677834
  H        17.4969586495       14.6249951165       13.2140386068
  O        13.1667751615       15.0605076102       14.2306820416
  H        12.4343676324       15.1622038481       14.8615609744
  O        15.5278612550       15.1771605422       16.0868963080
  H        15.0170295975       15.2723624483       16.9099549738
  H        17.5353115483       15.0611234186       14.7268983829
  H        13.9826725966       13.0499868018       13.3024946173
  H        15.8524617901       17.5050100601       13.2799861210
      14
 i =      597, E =     -1643.7395972954
 Fe        14.9430321893       15.1729127919       14.3596720313
  O        15.0587853873       16.9385240837       13.2988411717
  H        14.2683781117       17.4951419495       13.1705197510
  O        14.9443607259       13.1946754252       13.4210376300
  H        15.2834267662       12.4086423647       13.8904158317
  O        17.0523217446       15.1758639919       13.8846677737
  H        17.4969569710       14.6249923275       13.2140398198
  O        13.1667765622       15.0605074552       14.2306811987
  H        12.4343351307       15.1622115653       14.8615183041
  O        15.5278611693       15.1771605562       16.0868969549
  H        15.0170188736       15.2723527486       16.9099505933
  H        17.5353113335       15.0611235968       14.7268987423
  H        13.9826725817       13.0499885040       13.3024940444
  H        15.8524681920       17.5050028840       13.2799882880
      14
 i =      598, E =     -1643.7395972050
 Fe        14.9430332716       15.1729127909       14.3596738076
  O        15.0587864646       16.9385244238       13.2988419295
  H        14.2683832867       17.4951513865       13.1705321592
  O        14.9443609850       13.1946754659       13.4210377568
  H        15.2834254006       12.4086423433       13.8904164061
  O        17.0523216955       15.1758639956       13.8846680788
  H        17.4969555168       14.6249898860       13.2140408779
  O        13.1667767273       15.0605075382       14.2306782285
  H        12.4343062304       15.1622183335       14.8614815960
  O        15.5278603296       15.1771602383       16.0868975902
  H        15.0170097942       15.2723442797       16.9099462661
  H        17.5353109894       15.0611237805       14.7268988395
  H        13.9826723723       13.0499899201       13.3024934907
  H        15.8524737259       17.5049965138       13.2799901881
      14
 i =      599, E =     -1643.7395973891
 Fe        14.9430318265       15.1729126962       14.3596717155
  O        15.0587868030       16.9385245451       13.2988419351
  H        14.2683887737       17.4951611307       13.1705451736
  O        14.9443610228       13.1946755777       13.4210377664
  H        15.2834240287       12.4086421992       13.8904170925
  O        17.0523216667       15.1758641235       13.8846680128
  H        17.4969539493       14.6249873400       13.2140420271
  O        13.1667783768       15.0605073220       14.2306780559
  H        12.4342764091       15.1622254378       14.8614424164
  O        15.5278603546       15.1771603788       16.0868983158
  H        15.0169999934       15.2723353918       16.9099422188
  H        17.5353107881       15.0611239573       14.7268991682
  H        13.9826723502       13.0499914696       13.3024929475
  H        15.8524795962       17.5049899529       13.2799921180
      14
 i =      600, E =     -1643.7395973501
 Fe        14.9430325565       15.1729127033       14.3596739524
  O        15.0587878361       16.9385249095       13.2988425933
  H        14.2683931396       17.4951690655       13.1705556248
  O        14.9443609419       13.1946757434       13.4210377216
  H        15.2834229393       12.4086420260       13.8904176949
  O        17.0523216310       15.1758640683       13.8846680623
  H        17.4969526651       14.6249853266       13.2140429993
  O        13.1667776994       15.0605074840       14.2306756807
  H        12.4342523606       15.1622311359       14.8614109350
  O        15.5278598553       15.1771599909       16.0868983011
  H        15.0169920245       15.2723282750       16.9099389484
  H        17.5353105611       15.0611240922       14.7268993700
  H        13.9826723565       13.0499927192       13.3024925093
  H        15.8524842477       17.5049845723       13.2799937463
      14
 i =      601, E =     -1643.7395973053
 Fe        14.9430310680       15.1729126025       14.3596712005
  O        15.0587880844       16.9385250779       13.2988424976
  H        14.2683993456       17.4951798519       13.1705701242
  O        14.9443609871       13.1946758205       13.4210377375
  H        15.2834213865       12.4086418805       13.8904184804
  O        17.0523216092       15.1758642410       13.8846680102
  H        17.4969509132       14.6249824628       13.2140442809
  O        13.1667795581       15.0605072197       14.2306756577
  H        12.4342189989       15.1622391209       14.8613668880
  O        15.5278600533       15.1771601597       16.0868990495
  H        15.0169809121       15.2723183346       16.9099345656
  H        17.5353103497       15.0611242821       14.7268997541
  H        13.9826723713       13.0499944785       13.3024919068
  H        15.8524908340       17.5049772936       13.2799959271
      14
 i =      602, E =     -1643.7395970027
 Fe        14.9430319337       15.1729125889       14.3596729885
  O        15.0587896547       16.9385253982       13.2988431555
  H        14.2684050135       17.4951907033       13.1705841563
  O        14.9443613292       13.1946758721       13.4210378396
  H        15.2834198167       12.4086418561       13.8904191888
  O        17.0523216201       15.1758642793       13.8846683463
  H        17.4969492339       14.6249796306       13.2140455032
  O        13.1667803316       15.0605071841       14.2306726181
  H        12.4341856633       15.1622469962       14.8613247580
  O        15.5278590510       15.1771599357       16.0868997799
  H        15.0169705189       15.2723086045       16.9099294503
  H        17.5353099327       15.0611245014       14.7268998606
  H        13.9826720713       13.0499961207       13.3024912804
  H        15.8524969815       17.5049699495       13.2799980897
      14
 i =      603, E =     -1643.7395973413
 Fe        14.9430302766       15.1729124838       14.3596724952
  O        15.0587897771       16.9385254814       13.2988429421
  H        14.2684105314       17.4952003895       13.1705971021
  O        14.9443614210       13.1946759379       13.4210378411
  H        15.2834184052       12.4086417589       13.8904199007
  O        17.0523216389       15.1758644421       13.8846682942
  H        17.4969476529       14.6249770314       13.2140466701
  O        13.1667825835       15.0605068615       14.2306728623
  H        12.4341554154       15.1622542605       14.8612852269
  O        15.5278591683       15.1771602075       16.0869005429
  H        15.0169606354       15.2722996318       16.9099252648
  H        17.5353097032       15.0611246873       14.7269001619
  H        13.9826720077       13.0499976946       13.3024907389
  H        15.8525028925       17.5049634379       13.2800000276
      14
 i =      604, E =     -1643.7395974821
 Fe        14.9430313698       15.1729125306       14.3596729473
  O        15.0587906793       16.9385258370       13.2988434483
  H        14.2684154917       17.4952091711       13.1706086983
  O        14.9443612038       13.1946761652       13.4210377912
  H        15.2834171662       12.4086415500       13.8904206067
  O        17.0523215607       15.1758643858       13.8846682633
  H        17.4969461748       14.6249747853       13.2140478419
  O        13.1667821959       15.0605069158       14.2306711750
  H        12.4341283634       15.1622607316       14.8612495860
  O        15.5278590761       15.1771599267       16.0869005097
  H        15.0169514713       15.2722916549       16.9099219261
  H        17.5353094894       15.0611248393       14.7269004110
  H        13.9826721341       13.0499991079       13.3024902578
  H        15.8525080257       17.5049574280       13.2800018116
      14
 i =      605, E =     -1643.7395973552
 Fe        14.9430305853       15.1729123240       14.3596726034
  O        15.0587907040       16.9385257901       13.2988427665
  H        14.2684215240       17.4952196032       13.1706226594
  O        14.9443612280       13.1946765271       13.4210379999
  H        15.2834155364       12.4086413900       13.8904213219
  O        17.0523214544       15.1758643973       13.8846681846
  H        17.4969443421       14.6249721920       13.2140494498
  O        13.1667863221       15.0605061019       14.2306728256
  H        12.4340945594       15.1622687969       14.8612068162
  O        15.5278599766       15.1771605713       16.0869002793
  H        15.0169402460       15.2722819356       16.9099182436
  H        17.5353092651       15.0611250643       14.7269005300
  H        13.9826722463       13.0500007140       13.3024896543
  H        15.8525139811       17.5049502904       13.2800037732
      14
 i =      606, E =     -1643.7395973517
 Fe        14.9430297125       15.1729124365       14.3596723350
  O        15.0587918846       16.9385259226       13.2988432345
  H        14.2684253871       17.4952272803       13.1706324522
  O        14.9443616811       13.1946763386       13.4210380887
  H        15.2834144004       12.4086414941       13.8904217964
  O        17.0523214613       15.1758646474       13.8846685810
  H        17.4969432683       14.6249699967       13.2140501032
  O        13.1667863650       15.0605061837       14.2306712155
  H        12.4340713478       15.1622743828       14.8611764424
  O        15.5278589004       15.1771605312       16.0869023342
  H        15.0169333845       15.2722749323       16.9099137678
  H        17.5353089821       15.0611252305       14.7269006651
  H        13.9826719087       13.0500018985       13.3024892019
  H        15.8525183408       17.5049451417       13.2800053264
      14
 i =      607, E =     -1643.7395972948
 Fe        14.9430302193       15.1729122390       14.3596731063
  O        15.0587921154       16.9385258794       13.2988424654
  H        14.2684317279       17.4952388273       13.1706477209
  O        14.9443617778       13.1946765408       13.4210381322
  H        15.2834126470       12.4086413676       13.8904226742
  O        17.0523214378       15.1758648450       13.8846685471
  H        17.4969413060       14.6249669734       13.2140516916
  O        13.1667907283       15.0605053999       14.2306731022
  H        12.4340342869       15.1622832548       14.8611291672
  O        15.5278596515       15.1771612373       16.0869030879
  H        15.0169213385       15.2722641691       16.9099090221
  H        17.5353087003       15.0611254715       14.7269008497
  H        13.9826719234       13.0500037398       13.3024885306
  H        15.8525248923       17.5049372376       13.2800074920
      14
 i =      608, E =     -1643.7395973995
 Fe        14.9430298746       15.1729123976       14.3596723419
  O        15.0587929747       16.9385262597       13.2988430527
  H        14.2684365581       17.4952474601       13.1706590882
  O        14.9443615098       13.1946767060       13.4210379343
  H        15.2834114719       12.4086410804       13.8904234630
  O        17.0523213801       15.1758648923       13.8846684156
  H        17.4969398786       14.6249646333       13.2140527257
  O        13.1667890044       15.0605056398       14.2306714979
  H        12.4340079254       15.1622896725       14.8610930442
  O        15.5278594572       15.1771608585       16.0869033235
  H        15.0169122400       15.2722562195       16.9099055863
  H        17.5353085663       15.0611256254       14.7269013174
  H        13.9826720870       13.0500051861       13.3024880649
  H        15.8525300423       17.5049313689       13.2800092774
      14
 i =      609, E =     -1643.7395973773
 Fe        14.9430300081       15.1729121814       14.3596733495
  O        15.0587931288       16.9385262595       13.2988423471
  H        14.2684423523       17.4952579985       13.1706730277
  O        14.9443617059       13.1946767979       13.4210380306
  H        15.2834098322       12.4086409923       13.8904242510
  O        17.0523214285       15.1758651119       13.8846684416
  H        17.4969380979       14.6249617990       13.2140541156
  O        13.1667920460       15.0605049017       14.2306733942
  H        12.4339742706       15.1622978297       14.8610492429
  O        15.5278599951       15.1771614951       16.0869038669
  H        15.0169011318       15.2722463294       16.9099012128
  H        17.5353083050       15.0611258738       14.7269015254
  H        13.9826720798       13.0500068743       13.3024874674
  H        15.8525360172       17.5049241327       13.2800111962
      14
 i =      610, E =     -1643.7395976373
 Fe        14.9430282782       15.1729122361       14.3596720103
  O        15.0587943800       16.9385264610       13.2988432421
  H        14.2684463564       17.4952656705       13.1706828270
  O        14.9443621272       13.1946767330       13.4210381566
  H        15.2834086536       12.4086410741       13.8904247406
  O        17.0523215139       15.1758650848       13.8846688346
  H        17.4969369009       14.6249596960       13.2140549521
  O        13.1667929033       15.0605049933       14.2306690137
  H        12.4339492460       15.1623037523       14.8610195903
  O        15.5278587335       15.1771611467       16.0869053755
  H        15.0168939940       15.2722392672       16.9098969784
  H        17.5353079740       15.0611260702       14.7269015577
  H        13.9826717319       13.0500080537       13.3024870152
  H        15.8525404478       17.5049190074       13.2800127832
      14
 i =      611, E =     -1643.7395973793
 Fe        14.9430288241       15.1729121691       14.3596737105
  O        15.0587943915       16.9385265355       13.2988426069
  H        14.2684518838       17.4952760077       13.1706964872
  O        14.9443622157       13.1946766252       13.4210378993
  H        15.2834072147       12.4086408753       13.8904257377
  O        17.0523217180       15.1758655368       13.8846687072
  H        17.4969352038       14.6249566915       13.2140560333
  O        13.1667946270       15.0605046097       14.2306714275
  H        12.4339171450       15.1623116688       14.8609756088
  O        15.5278588772       15.1771616975       16.0869072630
  H        15.0168834622       15.2722294431       16.9098916348
  H        17.5353077553       15.0611262901       14.7269020637
  H        13.9826716717       13.0500098772       13.3024864286
  H        15.8525467681       17.5049119981       13.2800147539
      14
 i =      612, E =     -1643.7395974203
 Fe        14.9430283583       15.1729121691       14.3596711619
  O        15.0587957134       16.9385270700       13.2988431692
  H        14.2684590403       17.4952890146       13.1707135438
  O        14.9443619384       13.1946768518       13.4210377105
  H        15.2834053523       12.4086405354       13.8904269470
  O        17.0523216841       15.1758655657       13.8846685493
  H        17.4969329612       14.6249531354       13.2140576887
  O        13.1667947324       15.0605046058       14.2306691010
  H        12.4338758509       15.1623217153       14.8609213569
  O        15.5278594518       15.1771612508       16.0869065788
  H        15.0168689651       15.2722174258       16.9098872574
  H        17.5353075055       15.0611265421       14.7269026554
  H        13.9826718730       13.0500121060       13.3024857331
  H        15.8525542889       17.5049030005       13.2800173718
      14
 i =      613, E =     -1643.7395973434
 Fe        14.9430278405       15.1729120426       14.3596753117
  O        15.0587963610       16.9385272162       13.2988434677
  H        14.2684638678       17.4952978678       13.1707250554
  O        14.9443624713       13.1946767834       13.4210379048
  H        15.2834039184       12.4086406556       13.8904275679
  O        17.0523218005       15.1758655855       13.8846688878
  H        17.4969314975       14.6249506743       13.2140587783
  O        13.1667967129       15.0605043900       14.2306666388
  H        12.4338466219       15.1623287239       14.8608856521
  O        15.5278585220       15.1771612621       16.0869077443
  H        15.0168601937       15.2722090771       16.9098825351
  H        17.5353071204       15.0611267776       14.7269026770
  H        13.9826715024       13.0500135167       13.3024852092
  H        15.8525594962       17.5048970011       13.2800191002
      14
 i =      614, E =     -1643.7395974640
 Fe        14.9430274536       15.1729120684       14.3596695809
  O        15.0587968311       16.9385273407       13.2988438027
  H        14.2684689191       17.4953066936       13.1707366720
  O        14.9443624702       13.1946769358       13.4210379212
  H        15.2834025594       12.4086405493       13.8904283160
  O        17.0523217196       15.1758656116       13.8846688976
  H        17.4969299710       14.6249482218       13.2140599536
  O        13.1667972446       15.0605043343       14.2306653598
  H        12.4338181143       15.1623357104       14.8608484549
  O        15.5278582706       15.1771611981       16.0869085622
  H        15.0168508879       15.2722007028       16.9098785962
  H        17.5353069088       15.0611269677       14.7269029315
  H        13.9826714927       13.0500150035       13.3024847196
  H        15.8525648271       17.5048910252       13.2800208949
      14
 i =      615, E =     -1643.7395975948
 Fe        14.9430280879       15.1729119561       14.3596746434
  O        15.0587977424       16.9385277989       13.2988442046
  H        14.2684742786       17.4953162872       13.1707492024
  O        14.9443622524       13.1946771173       13.4210377824
  H        15.2834011436       12.4086403341       13.8904292247
  O        17.0523215987       15.1758656544       13.8846688153
  H        17.4969283533       14.6249455431       13.2140611863
  O        13.1667961323       15.0605044982       14.2306639437
  H        12.4337880796       15.1623431085       14.8608076284
  O        15.5278579638       15.1771608756       16.0869078785
  H        15.0168404117       15.2721917426       16.9098747643
  H        17.5353066789       15.0611271598       14.7269033494
  H        13.9826716078       13.0500166357       13.3024842000
  H        15.8525704678       17.5048844301       13.2800228160
      14
 i =      616, E =     -1643.7395974740
 Fe        14.9430258962       15.1729119551       14.3596697214
  O        15.0587981806       16.9385279520       13.2988444302
  H        14.2684797356       17.4953257468       13.1707616711
  O        14.9443624424       13.1946771506       13.4210378928
  H        15.2833996309       12.4086403064       13.8904299947
  O        17.0523215826       15.1758657579       13.8846689326
  H        17.4969267449       14.6249428274       13.2140623781
  O        13.1667976860       15.0605043345       14.2306627322
  H        12.4337570615       15.1623507125       14.8607674466
  O        15.5278578444       15.1771608901       16.0869088775
  H        15.0168302923       15.2721826924       16.9098705187
  H        17.5353064381       15.0611273731       14.7269036327
  H        13.9826715164       13.0500182545       13.3024836564
  H        15.8525762158       17.5048780028       13.2800247328
      14
 i =      617, E =     -1643.7395974590
 Fe        14.9430274460       15.1729118661       14.3596743577
  O        15.0587992986       16.9385282153       13.2988449411
  H        14.2684848507       17.4953352579       13.1707738694
  O        14.9443625698       13.1946772816       13.4210378879
  H        15.2833981674       12.4086402320       13.8904308261
  O        17.0523215843       15.1758657335       13.8846690604
  H        17.4969251306       14.6249402021       13.2140636252
  O        13.1667981664       15.0605043354       14.2306598771
  H        12.4337262339       15.1623582035       14.8607283487
  O        15.5278568548       15.1771606624       16.0869092632
  H        15.0168205622       15.2721737800       16.9098657999
  H        17.5353060816       15.0611275873       14.7269038346
  H        13.9826713559       13.0500198138       13.3024831135
  H        15.8525817731       17.5048715674       13.2800266412
      14
 i =      618, E =     -1643.7395974445
 Fe        14.9430252957       15.1729118438       14.3596711263
  O        15.0587995539       16.9385282918       13.2988449836
  H        14.2684898276       17.4953438614       13.1707852099
  O        14.9443626205       13.1946773825       13.4210379185
  H        15.2833968049       12.4086401524       13.8904315913
  O        17.0523215649       15.1758658471       13.8846690410
  H        17.4969236308       14.6249377247       13.2140647613
  O        13.1667997123       15.0605041471       14.2306595280
  H        12.4336980395       15.1623651845       14.8606913409
  O        15.5278568981       15.1771607655       16.0869101016
  H        15.0168112607       15.2721654946       16.9098619485
  H        17.5353058873       15.0611277756       14.7269041447
  H        13.9826713313       13.0500213177       13.3024826376
  H        15.8525870507       17.5048657446       13.2800283943
      14
 i =      619, E =     -1643.7395977049
 Fe        14.9430265770       15.1729118409       14.3596753847
  O        15.0588006041       16.9385286692       13.2988456131
  H        14.2684941570       17.4953516806       13.1707952850
  O        14.9443626667       13.1946774671       13.4210379466
  H        15.2833955780       12.4086400931       13.8904322798
  O        17.0523215122       15.1758658297       13.8846692347
  H        17.4969223069       14.6249355050       13.2140657598
  O        13.1667987680       15.0605043451       14.2306572533
  H        12.4336730724       15.1623713293       14.8606582595
  O        15.5278562838       15.1771603931       16.0869101935
  H        15.0168029468       15.2721581458       16.9098583704
  H        17.5353055989       15.0611279510       14.7269043120
  H        13.9826712424       13.0500226386       13.3024821843
  H        15.8525916336       17.5048603751       13.2800299853
      14
 i =      620, E =     -1643.7395975446
 Fe        14.9430245846       15.1729117495       14.3596703085
  O        15.0588007713       16.9385287710       13.2988455222
  H        14.2684995508       17.4953608931       13.1708074502
  O        14.9443627186       13.1946775362       13.4210379886
  H        15.2833940954       12.4086400127       13.8904331065
  O        17.0523214897       15.1758659823       13.8846691818
  H        17.4969206831       14.6249328181       13.2140669781
  O        13.1668006409       15.0605040728       14.2306574370
  H        12.4336427213       15.1623788738       14.8606180638
  O        15.5278566037       15.1771605839       16.0869110744
  H        15.0167927501       15.2721492227       16.9098544369
  H        17.5353054167       15.0611281550       14.7269046794
  H        13.9826712387       13.0500242773       13.3024816578
  H        15.8525973046       17.5048540985       13.2800318542
      14
 i =      621, E =     -1643.7395974326
 Fe        14.9430257650       15.1729117251       14.3596720320
  O        15.0588020118       16.9385290290       13.2988461367
  H        14.2685039922       17.4953692392       13.1708180491
  O        14.9443628341       13.1946776872       13.4210380062
  H        15.2833927931       12.4086399484       13.8904338642
  O        17.0523214882       15.1758659361       13.8846693500
  H        17.4969192476       14.6249304840       13.2140680885
  O        13.1668011812       15.0605040943       14.2306543145
  H        12.4336152343       15.1623855745       14.8605837562
  O        15.5278556439       15.1771603024       16.0869115188
  H        15.0167841730       15.2721413708       16.9098501921
  H        17.5353050868       15.0611283464       14.7269048379
  H        13.9826710655       13.0500256669       13.3024811800
  H        15.8526021310       17.5048484250       13.2800335446
      14
 i =      622, E =     -1643.7395975650
 Fe        14.9430242246       15.1729116225       14.3596738925
  O        15.0588020378       16.9385290953       13.2988458681
  H        14.2685088601       17.4953775970       13.1708290639
  O        14.9443628652       13.1946777562       13.4210379845
  H        15.2833914494       12.4086398774       13.8904346600
  O        17.0523215039       15.1758660907       13.8846692360
  H        17.4969177596       14.6249280358       13.2140692281
  O        13.1668033480       15.0605037656       14.2306548751
  H        12.4335874271       15.1623925131       14.8605471941
  O        15.5278558383       15.1771605841       16.0869120297
  H        15.0167749272       15.2721332137       16.9098463933
  H        17.5353048938       15.0611285355       14.7269051909
  H        13.9826710567       13.0500271587       13.3024807144
  H        15.8526073136       17.5048427606       13.2800352451
      14
 i =      623, E =     -1643.7395974925
 Fe        14.9430251444       15.1729117264       14.3596716780
  O        15.0588031555       16.9385294002       13.2988464310
  H        14.2685131562       17.4953854207       13.1708390842
  O        14.9443629727       13.1946778199       13.4210380676
  H        15.2833901832       12.4086398453       13.8904353468
  O        17.0523214508       15.1758661191       13.8846695276
  H        17.4969164267       14.6249257543       13.2140702198
  O        13.1668024113       15.0605039134       14.2306532285
  H        12.4335623736       15.1623987530       14.8605135241
  O        15.5278554701       15.1771603032       16.0869125514
  H        15.0167665041       15.2721258004       16.9098428647
  H        17.5353046082       15.0611287206       14.7269053105
  H        13.9826709493       13.0500285064       13.3024802580
  H        15.8526118147       17.5048373532       13.2800368328
      14
 i =      624, E =     -1643.7395974556
 Fe        14.9430237620       15.1729115288       14.3596741168
  O        15.0588032978       16.9385295817       13.2988462226
  H        14.2685180838       17.4953938707       13.1708501870
  O        14.9443630191       13.1946778364       13.4210380705
  H        15.2833888048       12.4086397983       13.8904361443
  O        17.0523214673       15.1758662681       13.8846694561
  H        17.4969149316       14.6249232476       13.2140713523
  O        13.1668042315       15.0605036127       14.2306538218
  H        12.4335342432       15.1624057881       14.8604761526
  O        15.5278557780       15.1771605284       16.0869128954
  H        15.0167569514       15.2721175455       16.9098391919
  H        17.5353044009       15.0611289189       14.7269056756
  H        13.9826709316       13.0500300180       13.3024797684
  H        15.8526169992       17.5048315669       13.2800385525
      14
 i =      625, E =     -1643.7395977798
 Fe        14.9430241803       15.1729116353       14.3596707535
  O        15.0588043906       16.9385296928       13.2988466676
  H        14.2685231767       17.4954032075       13.1708620860
  O        14.9443630862       13.1946780667       13.4210381275
  H        15.2833872966       12.4086397021       13.8904370175
  O        17.0523214509       15.1758662394       13.8846695805
  H        17.4969132546       14.6249206116       13.2140726917
  O        13.1668059272       15.0605034122       14.2306511497
  H        12.4335026708       15.1624135227       14.8604371314
  O        15.5278552832       15.1771604364       16.0869140251
  H        15.0167470641       15.2721086237       16.9098346901
  H        17.5353041039       15.0611291379       14.7269058513
  H        13.9826708440       13.0500316128       13.3024792396
  H        15.8526223712       17.5048251860       13.2800404258
      14
 i =      626, E =     -1643.7395975430
 Fe        14.9430233502       15.1729114254       14.3596714144
  O        15.0588046813       16.9385298320       13.2988466002
  H        14.2685284375       17.4954123281       13.1708739718
  O        14.9443631219       13.1946781794       13.4210381306
  H        15.2833857974       12.4086396393       13.8904379090
  O        17.0523214538       15.1758663320       13.8846695341
  H        17.4969115991       14.6249179478       13.2140740024
  O        13.1668078121       15.0605031209       14.2306510426
  H        12.4334718849       15.1624212050       14.8603972086
  O        15.5278552795       15.1771606096       16.0869144892
  H        15.0167369000       15.2720996995       16.9098304591
  H        17.5353038534       15.0611293542       14.7269061779
  H        13.9826708253       13.0500332297       13.3024787266
  H        15.8526279230       17.5048189726       13.2800422756
      14
 i =      627, E =     -1643.7395975224
 Fe        14.9430239767       15.1729115301       14.3596751971
  O        15.0588057927       16.9385302049       13.2988470280
  H        14.2685332781       17.4954210465       13.1708851226
  O        14.9443632704       13.1946782076       13.4210381843
  H        15.2833843456       12.4086396388       13.8904386993
  O        17.0523213768       15.1758664032       13.8846697961
  H        17.4969101107       14.6249153491       13.2140751428
  O        13.1668068764       15.0605032512       14.2306496184
  H        12.4334435896       15.1624283111       14.8603590246
  O        15.5278549067       15.1771603661       16.0869145961
  H        15.0167272681       15.2720913407       16.9098265846
  H        17.5353035449       15.0611295672       14.7269063518
  H        13.9826707018       13.0500347391       13.3024782183
  H        15.8526329419       17.5048129368       13.2800440436
      14
 i =      628, E =     -1643.7395975459
 Fe        14.9430223770       15.1729114292       14.3596692073
  O        15.0588059232       16.9385302574       13.2988468443
  H        14.2685380535       17.4954292254       13.1708957997
  O        14.9443633732       13.1946782407       13.4210382381
  H        15.2833829625       12.4086396143       13.8904394723
  O        17.0523213727       15.1758665781       13.8846698244
  H        17.4969086495       14.6249128653       13.2140762524
  O        13.1668087125       15.0605029230       14.2306501508
  H        12.4334159521       15.1624352574       14.8603225149
  O        15.5278552621       15.1771606335       16.0869156576
  H        15.0167180258       15.2720832653       16.9098229299
  H        17.5353033574       15.0611297679       14.7269066372
  H        13.9826706653       13.0500362148       13.3024777372
  H        15.8526379130       17.5048073372       13.2800457009
      14
 i =      629, E =     -1643.7395976180
 Fe        14.9430231837       15.1729113538       14.3596743322
  O        15.0588069102       16.9385304424       13.2988472243
  H        14.2685427359       17.4954379234       13.1709068043
  O        14.9443633428       13.1946784573       13.4210381407
  H        15.2833815924       12.4086394689       13.8904403911
  O        17.0523213879       15.1758665471       13.8846697581
  H        17.4969070773       14.6249103691       13.2140775033
  O        13.1668099031       15.0605028151       14.2306476166
  H        12.4333864464       15.1624425560       14.8602856411
  O        15.5278543588       15.1771605173       16.0869161393
  H        15.0167088010       15.2720748667       16.9098183344
  H        17.5353030754       15.0611299757       14.7269069587
  H        13.9826705928       13.0500377266       13.3024772490
  H        15.8526430402       17.5048014496       13.2800474561
      14
 i =      630, E =     -1643.7395976274
 Fe        14.9430200598       15.1729113544       14.3596707614
  O        15.0588075598       16.9385305254       13.2988471953
  H        14.2685517991       17.4954543293       13.1709279496
  O        14.9443636889       13.1946783829       13.4210379730
  H        15.2833789844       12.4086392543       13.8904421636
  O        17.0523217676       15.1758669783       13.8846698740
  H        17.4969041037       14.6249052840       13.2140795249
  O        13.1668126653       15.0605024648       14.2306467061
  H        12.4333310947       15.1624565044       14.8602132857
  O        15.5278534222       15.1771608857       16.0869197320
  H        15.0166914210       15.2720585892       16.9098088821
  H        17.5353025949       15.0611303760       14.7269076034
  H        13.9826703111       13.0500408514       13.3024763024
  H        15.8526534087       17.5047904484       13.2800508172
      14
 i =      631, E =     -1643.7395974545
 Fe        14.9430228516       15.1729113006       14.3596727528
  O        15.0588083492       16.9385309623       13.2988473793
  H        14.2685558879       17.4954613574       13.1709370137
  O        14.9443637544       13.1946784020       13.4210381786
  H        15.2833777205       12.4086393578       13.8904427939
  O        17.0523215693       15.1758670378       13.8846701149
  H        17.4969028614       14.6249031352       13.2140805316
  O        13.1668121480       15.0605024198       14.2306473357
  H        12.4333079253       15.1624623953       14.8601811583
  O        15.5278546826       15.1771606786       16.0869181424
  H        15.0166823296       15.2720518487       16.9098073261
  H        17.5353023381       15.0611305457       14.7269077567
  H        13.9826702888       13.0500420642       13.3024758804
  H        15.8526572846       17.5047853673       13.2800522736
      14
 i =      632, E =     -1643.7395977494
 Fe        14.9430220055       15.1729112161       14.3596746191
  O        15.0588086105       16.9385312331       13.2988463622
  H        14.2685602424       17.4954694165       13.1709474191
  O        14.9443637898       13.1946782199       13.4210379335
  H        15.2833763719       12.4086393055       13.8904436260
  O        17.0523217880       15.1758672989       13.8846697883
  H        17.4969013923       14.6249006159       13.2140815597
  O        13.1668144896       15.0605017055       14.2306486255
  H        12.4332806187       15.1624694190       14.8601449174
  O        15.5278547256       15.1771612879       16.0869182605
  H        15.0166731733       15.2720438113       16.9098034029
  H        17.5353021534       15.0611307682       14.7269081462
  H        13.9826702702       13.0500435381       13.3024754228
  H        15.8526618912       17.5047797359       13.2800538533
      14
 i =      633, E =     -1643.7395976195
 Fe        14.9430201856       15.1729112513       14.3596689832
  O        15.0588095395       16.9385309949       13.2988470227
  H        14.2685649523       17.4954781244       13.1709583584
  O        14.9443637461       13.1946786768       13.4210379927
  H        15.2833749294       12.4086391286       13.8904445991
  O        17.0523218128       15.1758671929       13.8846699351
  H        17.4968997356       14.6248981092       13.2140829294
  O        13.1668176794       15.0605014342       14.2306453634
  H        12.4332495727       15.1624770502       14.8601084709
  O        15.5278541147       15.1771612402       16.0869203693
  H        15.0166640038       15.2720352696       16.9097985208
  H        17.5353018532       15.0611309740       14.7269082990
  H        13.9826702887       13.0500450843       13.3024749804
  H        15.8526669428       17.5047738984       13.2800556285
      14
 i =      634, E =     -1643.7395978388
 Fe        14.9430220514       15.1729109988       14.3596751085
  O        15.0588096716       16.9385310861       13.2988464198
  H        14.2685698242       17.4954871975       13.1709699895
  O        14.9443638196       13.1946787407       13.4210378753
  H        15.2833734991       12.4086389287       13.8904456562
  O        17.0523219019       15.1758674231       13.8846698214
  H        17.4968980118       14.6248953397       13.2140842161
  O        13.1668206123       15.0605008276       14.2306470543
  H        12.4332179998       15.1624850289       14.8600677141
  O        15.5278544828       15.1771617879       16.0869203159
  H        15.0166534475       15.2720262035       16.9097941454
  H        17.5353016168       15.0611312299       14.7269086667
  H        13.9826702830       13.0500468093       13.3024744363
  H        15.8526723894       17.5047676648       13.2800573260
      14
 i =      635, E =     -1643.7395976895
 Fe        14.9430205089       15.1729112852       14.3596691700
  O        15.0588106767       16.9385315668       13.2988469937
  H        14.2685747095       17.4954954544       13.1709806592
  O        14.9443643332       13.1946785019       13.4210381814
  H        15.2833719080       12.4086392068       13.8904463165
  O        17.0523217176       15.1758675697       13.8846702866
  H        17.4968966063       14.6248926167       13.2140852500
  O        13.1668178323       15.0605012261       14.2306466155
  H        12.4331912566       15.1624920089       14.8600287696
  O        15.5278544790       15.1771614508       16.0869208089
  H        15.0166437493       15.2720179830       16.9097906133
  H        17.5353013187       15.0611314412       14.7269088276
  H        13.9826700223       13.0500482949       13.3024739504
  H        15.8526770849       17.5047617792       13.2800590719
      14
 i =      636, E =     -1643.7395976642
 Fe        14.9430211931       15.1729110349       14.3596744156
  O        15.0588110301       16.9385317129       13.2988465696
  H        14.2685801353       17.4955054257       13.1709933690
  O        14.9443643993       13.1946785290       13.4210382077
  H        15.2833701620       12.4086392215       13.8904473489
  O        17.0523218692       15.1758677244       13.8846703515
  H        17.4968948045       14.6248895107       13.2140866117
  O        13.1668208065       15.0605005133       14.2306477297
  H        12.4331567027       15.1625007930       14.8599840047
  O        15.5278547815       15.1771618990       16.0869215276
  H        15.0166322186       15.2720080229       16.9097856428
  H        17.5353009449       15.0611317644       14.7269090684
  H        13.9826699407       13.0500500495       13.3024733504
  H        15.8526827725       17.5047548298       13.2800609244
      14
 i =      637, E =     -1643.7395976291
 Fe        14.9430192515       15.1729110017       14.3596719629
  O        15.0588115712       16.9385315788       13.2988472156
  H        14.2685842394       17.4955124867       13.1710023734
  O        14.9443638202       13.1946792095       13.4210378730
  H        15.2833690849       12.4086387694       13.8904483698
  O        17.0523217309       15.1758674815       13.8846697917
  H        17.4968933045       14.6248875464       13.2140879669
  O        13.1668230543       15.0605004419       14.2306425820
  H        12.4331302541       15.1625073042       14.8599541367
  O        15.5278537638       15.1771615995       16.0869222848
  H        15.0166244926       15.2720009331       16.9097817872
  H        17.5353008966       15.0611318751       14.7269095691
  H        13.9826702731       13.0500513898       13.3024730515
  H        15.8526871998       17.5047502116       13.2800624495
      14
 i =      638, E =     -1643.7395976525
 Fe        14.9430202681       15.1729110125       14.3596725552
  O        15.0588120642       16.9385315578       13.2988472328
  H        14.2685888123       17.4955206604       13.1710127885
  O        14.9443642357       13.1946793382       13.4210382936
  H        15.2833675609       12.4086388801       13.8904491286
  O        17.0523215490       15.1758675813       13.8846702422
  H        17.4968918026       14.6248850322       13.2140892422
  O        13.1668252292       15.0605000845       14.2306440871
  H        12.4331016809       15.1625145395       14.8599168825
  O        15.5278546404       15.1771618601       16.0869225763
  H        15.0166146364       15.2719927667       16.9097784831
  H        17.5353006070       15.0611321530       14.7269095844
  H        13.9826701345       13.0500528431       13.3024725461
  H        15.8526917347       17.5047444294       13.2800639314
      14
 i =      639, E =     -1643.7395978441
 Fe        14.9430199308       15.1729109670       14.3596728785
  O        15.0588128424       16.9385319630       13.2988476328
  H        14.2685932346       17.4955282622       13.1710225407
  O        14.9443645301       13.1946791788       13.4210383955
  H        15.2833661443       12.4086390274       13.8904498440
  O        17.0523214624       15.1758676901       13.8846705129
  H        17.4968904428       14.6248825413       13.2140902570
  O        13.1668229147       15.0605004047       14.2306431322
  H        12.4330763623       15.1625211465       14.8598809731
  O        15.5278539368       15.1771616355       16.0869231545
  H        15.0166059466       15.2719850618       16.9097745692
  H        17.5353003362       15.0611323598       14.7269097860
  H        13.9826699529       13.0500542485       13.3024720891
  H        15.8526962542       17.5047391335       13.2800655157
      14
 i =      640, E =     -1643.7395978964
 Fe        14.9430192361       15.1729109021       14.3596717257
  O        15.0588129570       16.9385319026       13.2988472286
  H        14.2685982408       17.4955370843       13.1710338571
  O        14.9443646765       13.1946793417       13.4210385289
  H        15.2833645124       12.4086390514       13.8904507727
  O        17.0523214683       15.1758678057       13.8846705526
  H        17.4968887558       14.6248798110       13.2140916711
  O        13.1668259881       15.0604997776       14.2306446027
  H        12.4330451227       15.1625291290       14.8598404192
  O        15.5278545299       15.1771621370       16.0869240882
  H        15.0165955118       15.2719760815       16.9097704571
  H        17.5353000749       15.0611326475       14.7269099683
  H        13.9826698852       13.0500558195       13.3024715623
  H        15.8527013542       17.5047330082       13.2800671631
      14
 i =      641, E =     -1643.7395978258
 Fe        14.9430191320       15.1729108909       14.3596746449
  O        15.0588140457       16.9385320588       13.2988477913
  H        14.2686026288       17.4955451640       13.1710439649
  O        14.9443643134       13.1946797040       13.4210383076
  H        15.2833632012       12.4086387964       13.8904518089
  O        17.0523214309       15.1758676995       13.8846704144
  H        17.4968871701       14.6248774018       13.2140929886
  O        13.1668271900       15.0604997071       14.2306403733
  H        12.4330156712       15.1625364967       14.8598053254
  O        15.5278535255       15.1771618335       16.0869247071
  H        15.0165864930       15.2719679889       16.9097661016
  H        17.5352998609       15.0611328492       14.7269103238
  H        13.9826700473       13.0500573186       13.3024711473
  H        15.8527060621       17.5047275225       13.2800688460
      14
 i =      642, E =     -1643.7395977148
 Fe        14.9430183103       15.1729107338       14.3596697045
  O        15.0588141809       16.9385319691       13.2988474548
  H        14.2686077480       17.4955542526       13.1710556324
  O        14.9443645853       13.1946798291       13.4210384079
  H        15.2833615820       12.4086387401       13.8904528506
  O        17.0523214789       15.1758678998       13.8846704813
  H        17.4968853746       14.6248745426       13.2140944660
  O        13.1668304878       15.0604992119       14.2306413229
  H        12.4329828308       15.1625448536       14.8597635210
  O        15.5278537624       15.1771623332       16.0869262308
  H        15.0165759912       15.2719586180       16.9097613656
  H        17.5352996416       15.0611331374       14.7269105347
  H        13.9826699924       13.0500590878       13.3024706162
  H        15.8527114596       17.5047212198       13.2800705238
      14
 i =      643, E =     -1643.7395977187
 Fe        14.9430191855       15.1729108828       14.3596741467
  O        15.0588149252       16.9385324743       13.2988481478
  H        14.2686108181       17.4955593417       13.1710621266
  O        14.9443650092       13.1946795225       13.4210386210
  H        15.2833605539       12.4086390180       13.8904532369
  O        17.0523212772       15.1758680214       13.8846709758
  H        17.4968845758       14.6248726967       13.2140949556
  O        13.1668259865       15.0604998479       14.2306407891
  H        12.4329668692       15.1625491709       14.8597379188
  O        15.5278535748       15.1771617579       16.0869254312
  H        15.0165694946       15.2719535061       16.9097595123
  H        17.5352993864       15.0611332843       14.7269106882
  H        13.9826696402       13.0500599711       13.3024702578
  H        15.8527145907       17.5047176858       13.2800716768
      14
 i =      644, E =     -1643.7395975869
 Fe        14.9430180383       15.1729107647       14.3596722134
  O        15.0588150746       16.9385325385       13.2988475449
  H        14.2686149401       17.4955669986       13.1710718649
  O        14.9443649670       13.1946794721       13.4210383438
  H        15.2833592609       12.4086389060       13.8904542205
  O        17.0523215181       15.1758683121       13.8846707084
  H        17.4968831174       14.6248701531       13.2140959725
  O        13.1668282163       15.0604993282       14.2306413678
  H        12.4329400012       15.1625561677       14.8597025262
  O        15.5278533769       15.1771622235       16.0869269884
  H        15.0165608501       15.2719456113       16.9097550738
  H        17.5352992424       15.0611335193       14.7269111261
  H        13.9826696253       13.0500614900       13.3024698330
  H        15.8527191770       17.5047123881       13.2800731210
      14
 i =      645, E =     -1643.7395978068
 Fe        14.9430175257       15.1729107354       14.3596728202
  O        15.0588160244       16.9385326602       13.2988481992
  H        14.2686190017       17.4955743064       13.1710810210
  O        14.9443647127       13.1946798310       13.4210382917
  H        15.2833580131       12.4086387348       13.8904551486
  O        17.0523215454       15.1758681081       13.8846707113
  H        17.4968816242       14.6248679577       13.2140972318
  O        13.1668303424       15.0604992059       14.2306373232
  H        12.4329125042       15.1625630294       14.8596705938
  O        15.5278528322       15.1771618991       16.0869272852
  H        15.0165522954       15.2719382305       16.9097514256
  H        17.5352989792       15.0611337292       14.7269113520
  H        13.9826697188       13.0500628567       13.3024694469
  H        15.8527234668       17.5047073962       13.2800746418
      14
 i =      646, E =     -1643.7395978221
 Fe        14.9430175583       15.1729106204       14.3596733245
  O        15.0588161154       16.9385327474       13.2988476979
  H        14.2686238721       17.4955830368       13.1710921808
  O        14.9443649338       13.1946797423       13.4210382316
  H        15.2833564640       12.4086387034       13.8904562045
  O        17.0523217917       15.1758683390       13.8846706973
  H        17.4968798907       14.6248651036       13.2140985497
  O        13.1668331566       15.0604987119       14.2306381652
  H        12.4328809242       15.1625711765       14.8596297792
  O        15.5278528053       15.1771623800       16.0869284447
  H        15.0165421171       15.2719291254       16.9097464915
  H        17.5352987063       15.0611340200       14.7269116092
  H        13.9826696520       13.0500646035       13.3024689267
  H        15.8527287968       17.5047013574       13.2800762886
      14
 i =      647, E =     -1643.7395978447
 Fe        14.9430177069       15.1729107547       14.3596715154
  O        15.0588172836       16.9385330442       13.2988483451
  H        14.2686286368       17.4955915725       13.1711028924
  O        14.9443652663       13.1946797374       13.4210383947
  H        15.2833548718       12.4086388032       13.8904571216
  O        17.0523214970       15.1758685161       13.8846710477
  H        17.4968783764       14.6248621758       13.2140996568
  O        13.1668304729       15.0604991211       14.2306375240
  H        12.4328523286       15.1625787423       14.8595887265
  O        15.5278527464       15.1771619672       16.0869283498
  H        15.0165316456       15.2719204970       16.9097428427
  H        17.5352984427       15.0611342515       14.7269119423
  H        13.9826693961       13.0500662004       13.3024684200
  H        15.8527337560       17.5046954257       13.2800780600
      14
 i =      648, E =     -1643.7395977869
 Fe        14.9430170157       15.1729105645       14.3596751755
  O        15.0588175572       16.9385331987       13.2988480031
  H        14.2686339933       17.4956011974       13.1711151165
  O        14.9443653551       13.1946798096       13.4210383284
  H        15.2833531279       12.4086387713       13.8904582966
  O        17.0523216088       15.1758686944       13.8846709753
  H        17.4968765334       14.6248589593       13.2141010370
  O        13.1668328701       15.0604985642       14.2306375331
  H        12.4328176954       15.1625877530       14.8595435920
  O        15.5278528348       15.1771622602       16.0869288177
  H        15.0165200052       15.2719105318       16.9097379706
  H        17.5352981629       15.0611345778       14.7269123372
  H        13.9826692427       13.0500680350       13.3024678429
  H        15.8527395049       17.5046887467       13.2800798801
      14
 i =      649, E =     -1643.7395979452
 Fe        14.9430154794       15.1729105312       14.3596713527
  O        15.0588179966       16.9385332912       13.2988487172
  H        14.2686367962       17.4956055308       13.1711207264
  O        14.9443649404       13.1946801523       13.4210382732
  H        15.2833523551       12.4086386091       13.8904589141
  O        17.0523216504       15.1758683532       13.8846708202
  H        17.4968754805       14.6248577359       13.2141020283
  O        13.1668348687       15.0604986030       14.2306330124
  H        12.4327996766       15.1625921711       14.8595246068
  O        15.5278518180       15.1771619455       16.0869298523
  H        15.0165151339       15.2719058938       16.9097350847
  H        17.5352980094       15.0611346770       14.7269124963
  H        13.9826695116       13.0500689303       13.3024676526
  H        15.8527423148       17.5046858346       13.2800809232
      14
 i =      650, E =     -1643.7395977928
 Fe        14.9430171183       15.1729105287       14.3596748547
  O        15.0588185566       16.9385333368       13.2988486659
  H        14.2686413992       17.4956136737       13.1711309883
  O        14.9443651625       13.1946803206       13.4210385041
  H        15.2833507990       12.4086386732       13.8904598256
  O        17.0523214267       15.1758684663       13.8846710317
  H        17.4968739109       14.6248550926       13.2141033865
  O        13.1668365363       15.0604983151       14.2306340517
  H        12.4327704482       15.1625997566       14.8594859530
  O        15.5278524950       15.1771621281       16.0869295173
  H        15.0165048758       15.2718975213       16.9097317337
  H        17.5352977641       15.0611349562       14.7269126469
  H        13.9826694506       13.0500704606       13.3024671594
  H        15.8527469081       17.5046800789       13.2800824301
      14
 i =      651, E =     -1643.7395976580
 Fe        14.9430160722       15.1729105637       14.3596708018
  O        15.0588192834       16.9385335383       13.2988491349
  H        14.2686448222       17.4956196385       13.1711384977
  O        14.9443654146       13.1946802585       13.4210385996
  H        15.2833496435       12.4086387699       13.8904604710
  O        17.0523213207       15.1758685786       13.8846712897
  H        17.4968728140       14.6248530000       13.2141041722
  O        13.1668344753       15.0604986443       14.2306330562
  H        12.4327500669       15.1626051937       14.8594568266
  O        15.5278518518       15.1771618819       16.0869304123
  H        15.0164978775       15.2718913153       16.9097284392
  H        17.5352975672       15.0611351240       14.7269128564
  H        13.9826692493       13.0500716173       13.3024667994
  H        15.8527505225       17.5046759861       13.2800836972
      14
 i =      652, E =     -1643.7395978644
 Fe        14.9430157247       15.1729103180       14.3596721936
  O        15.0588194409       16.9385335747       13.2988487736
  H        14.2686504480       17.4956293939       13.1711509364
  O        14.9443655443       13.1946804389       13.4210387288
  H        15.2833477666       12.4086388043       13.8904616504
  O        17.0523213185       15.1758687143       13.8846713381
  H        17.4968708426       14.6248497823       13.2141057948
  O        13.1668378780       15.0604980005       14.2306345588
  H        12.4327140783       15.1626145481       14.8594099499
  O        15.5278524259       15.1771623685       16.0869307809
  H        15.0164856594       15.2718810393       16.9097237531
  H        17.5352972511       15.0611354592       14.7269131500
  H        13.9826691642       13.0500734941       13.3024661987
  H        15.8527563549       17.5046692072       13.2800855717
      14
 i =      653, E =     -1643.7395978709
 Fe        14.9430158406       15.1729106845       14.3596696058
  O        15.0588213982       16.9385338068       13.2988489355
  H        14.2686600051       17.4956470889       13.1711729472
  O        14.9443655059       13.1946807813       13.4210387587
  H        15.2833444898       12.4086387405       13.8904638418
  O        17.0523213676       15.1758687838       13.8846714900
  H        17.4968672911       14.6248440656       13.2141087123
  O        13.1668416178       15.0604972743       14.2306325213
  H        12.4326489941       15.1626313684       14.8593274643
  O        15.5278516242       15.1771627184       16.0869333806
  H        15.0164649112       15.2718625956       16.9097138616
  H        17.5352966535       15.0611360612       14.7269136345
  H        13.9826691464       13.0500768757       13.3024651743
  H        15.8527662731       17.5046568247       13.2800890122
      14
 i =      654, E =     -1643.7395978244
 Fe        14.9430148106       15.1729102832       14.3596725333
  O        15.0588218613       16.9385339383       13.2988491900
  H        14.2686645141       17.4956549543       13.1711828821
  O        14.9443656278       13.1946808627       13.4210388792
  H        15.2833429642       12.4086388207       13.8904648219
  O        17.0523214508       15.1758687463       13.8846716294
  H        17.4968656507       14.6248415091       13.2141101680
  O        13.1668436664       15.0604970188       14.2306312623
  H        12.4326188002       15.1626391353       14.8592903435
  O        15.5278511631       15.1771627264       16.0869349723
  H        15.0164555788       15.2718541723       16.9097089939
  H        17.5352963665       15.0611363444       14.7269137515
  H        13.9826691231       13.0500784511       13.3024647134
  H        15.8527708384       17.5046512619       13.2800905208
      14
 i =      655, E =     -1643.7395980535
 Fe        14.9430148864       15.1729102381       14.3596748904
  O        15.0588214175       16.9385342362       13.2988494421
  H        14.2686680851       17.4956599915       13.1711896175
  O        14.9443657495       13.1946808784       13.4210387825
  H        15.2833419713       12.4086387925       13.8904654871
  O        17.0523210516       15.1758690078       13.8846715877
  H        17.4968647472       14.6248394860       13.2141107510
  O        13.1668403375       15.0604975575       14.2306309435
  H        12.4326013554       15.1626439411       14.8592628781
  O        15.5278519521       15.1771622380       16.0869325407
  H        15.0164477951       15.2718488031       16.9097082232
  H        17.5352963576       15.0611364779       14.7269142966
  H        13.9826689782       13.0500794710       13.3024643743
  H        15.8527746212       17.5046479278       13.2800916123
      14
 i =      656, E =     -1643.7395979225
 Fe        14.9430142851       15.1729104053       14.3596686869
  O        15.0588222842       16.9385341169       13.2988495022
  H        14.2686723828       17.4956680723       13.1711995728
  O        14.9443658557       13.1946810013       13.4210388403
  H        15.2833404299       12.4086388228       13.8904665141
  O        17.0523209898       15.1758691989       13.8846717417
  H        17.4968631751       14.6248367082       13.2141119715
  O        13.1668419278       15.0604971926       14.2306310760
  H        12.4325721323       15.1626516576       14.8592244131
  O        15.5278518168       15.1771624675       16.0869340391
  H        15.0164381461       15.2718403351       16.9097039122
  H        17.5352961088       15.0611367549       14.7269145909
  H        13.9826688943       13.0500810632       13.3024639333
  H        15.8527791659       17.5046422978       13.2800931508
      14
 i =      657, E =     -1643.7395978795
 Fe        14.9430137453       15.1729100074       14.3596756210
  O        15.0588235257       16.9385345172       13.2988498415
  H        14.2686776157       17.4956776277       13.1712113963
  O        14.9443657680       13.1946811551       13.4210386988
  H        15.2833386752       12.4086387791       13.8904677993
  O        17.0523213273       15.1758689594       13.8846716579
  H        17.4968611333       14.6248336524       13.2141136922
  O        13.1668445635       15.0604969774       14.2306263598
  H        12.4325351028       15.1626611385       14.8591804689
  O        15.5278501268       15.1771623558       16.0869352662
  H        15.0164271976       15.2718301760       16.9096976294
  H        17.5352956628       15.0611370991       14.7269148857
  H        13.9826688175       13.0500829337       13.3024633908
  H        15.8527847765       17.5046356949       13.2800951361
      14
 i =      658, E =     -1643.7395980007
 Fe        14.9430137772       15.1729104711       14.3596719995
  O        15.0588237117       16.9385346835       13.2988503560
  H        14.2686829331       17.4956861144       13.1712223086
  O        14.9443659711       13.1946811251       13.4210388438
  H        15.2833369678       12.4086388835       13.8904688613
  O        17.0523210355       15.1758692181       13.8846720158
  H        17.4968595051       14.6248304635       13.2141148747
  O        13.1668418546       15.0604974352       14.2306259814
  H        12.4325049299       15.1626693051       14.8591366389
  O        15.5278504046       15.1771619314       16.0869354184
  H        15.0164158735       15.2718210768       16.9096940241
  H        17.5352954314       15.0611373725       14.7269152778
  H        13.9826686575       13.0500846956       13.3024628707
  H        15.8527903444       17.5046298842       13.2800969205
      14
 i =      659, E =     -1643.7395979160
 Fe        14.9430128380       15.1729101179       14.3596710513
  O        15.0588241676       16.9385347719       13.2988504290
  H        14.2686858493       17.4956913383       13.1712287954
  O        14.9443660686       13.1946811874       13.4210388851
  H        15.2833359589       12.4086389042       13.8904695428
  O        17.0523211262       15.1758692421       13.8846720752
  H        17.4968584149       14.6248286757       13.2141157329
  O        13.1668435343       15.0604972149       14.2306253810
  H        12.4324850220       15.1626745125       14.8591114883
  O        15.5278502614       15.1771620181       16.0869360113
  H        15.0164094027       15.2718154893       16.9096910736
  H        17.5352952328       15.0611375501       14.7269154492
  H        13.9826685422       13.0500857505       13.3024625457
  H        15.8527934959       17.5046262724       13.2800979805
      14
 i =      660, E =     -1643.7395977148
 Fe        14.9430129752       15.1729101105       14.3596721722
  O        15.0588252071       16.9385350823       13.2988507375
  H        14.2686901032       17.4956989766       13.1712382364
  O        14.9443659025       13.1946813742       13.4210387872
  H        15.2833345466       12.4086388283       13.8904706114
  O        17.0523211865       15.1758691464       13.8846719167
  H        17.4968567905       14.6248261442       13.2141170900
  O        13.1668449164       15.0604971421       14.2306224568
  H        12.4324559152       15.1626820697       14.8590753830
  O        15.5278494136       15.1771618576       16.0869366689
  H        15.0164001833       15.2718073836       16.9096866178
  H        17.5352949841       15.0611378008       14.7269158205
  H        13.9826685472       13.0500872936       13.3024621133
  H        15.8527979521       17.5046209181       13.2800995547
      14
 i =      661, E =     -1643.7395979011
 Fe        14.9430122598       15.1729100684       14.3596731540
  O        15.0588256318       16.9385352341       13.2988508431
  H        14.2686942265       17.4957059995       13.1712470542
  O        14.9443660140       13.1946814152       13.4210388162
  H        15.2833331666       12.4086388659       13.8904715419
  O        17.0523212396       15.1758691875       13.8846720104
  H        17.4968553285       14.6248236952       13.2141182751
  O        13.1668461278       15.0604970054       14.2306213352
  H        12.4324291531       15.1626891361       14.8590409330
  O        15.5278490364       15.1771618798       16.0869375045
  H        15.0163914813       15.2717997689       16.9096825338
  H        17.5352947282       15.0611380488       14.7269160543
  H        13.9826684354       13.0500887378       13.3024616925
  H        15.8528022745       17.5046160599       13.2801010176
      14
 i =      662, E =     -1643.7395980293
 Fe        14.9430124816       15.1729100856       14.3596718283
  O        15.0588261380       16.9385353351       13.2988512133
  H        14.2686983876       17.4957130747       13.1712559099
  O        14.9443661693       13.1946814678       13.4210388910
  H        15.2833317636       12.4086389271       13.8904724691
  O        17.0523210543       15.1758693615       13.8846723136
  H        17.4968539660       14.6248210655       13.2141193056
  O        13.1668448260       15.0604972843       14.2306206169
  H        12.4324037005       15.1626959798       14.8590051353
  O        15.5278491216       15.1771615734       16.0869372704
  H        15.0163821225       15.2717922611       16.9096794470
  H        17.5352944811       15.0611382778       14.7269163236
  H        13.9826682722       13.0500901839       13.3024612618
  H        15.8528067678       17.5046112527       13.2801024861
      14
 i =      663, E =     -1643.7395979436
 Fe        14.9430115312       15.1729099549       14.3596739261
  O        15.0588265662       16.9385354781       13.2988512366
  H        14.2687026806       17.4957204429       13.1712651377
  O        14.9443663060       13.1946815269       13.4210389175
  H        15.2833303007       12.4086389815       13.8904734666
  O        17.0523210727       15.1758694676       13.8846723843
  H        17.4968524473       14.6248184148       13.2141205055
  O        13.1668462313       15.0604970809       14.2306202015
  H        12.4323758380       15.1627033875       14.8589684046
  O        15.5278491055       15.1771616546       16.0869375751
  H        15.0163725942       15.2717842887       16.9096756188
  H        17.5352942082       15.0611385255       14.7269166213
  H        13.9826681102       13.0500917000       13.3024608106
  H        15.8528113466       17.5046061633       13.2801040111
      14
 i =      664, E =     -1643.7395980332
 Fe        14.9430114458       15.1729100239       14.3596708381
  O        15.0588276411       16.9385357143       13.2988516368
  H        14.2687066522       17.4957274953       13.1712738019
  O        14.9443660370       13.1946817592       13.4210388956
  H        15.2833289534       12.4086389148       13.8904744618
  O        17.0523211463       15.1758692654       13.8846721722
  H        17.4968508503       14.6248161315       13.2141218956
  O        13.1668480404       15.0604969427       14.2306169252
  H        12.4323482478       15.1627105328       14.8589351904
  O        15.5278480756       15.1771615545       16.0869393399
  H        15.0163643453       15.2717766956       16.9096710227
  H        17.5352940040       15.0611387587       14.7269169345
  H        13.9826682201       13.0500931613       13.3024604238
  H        15.8528153582       17.5046011629       13.2801054703
      14
 i =      665, E =     -1643.7395979143
 Fe        14.9430111447       15.1729098561       14.3596711049
  O        15.0588278946       16.9385358615       13.2988515822
  H        14.2687110117       17.4957348016       13.1712829779
  O        14.9443661421       13.1946818196       13.4210389352
  H        15.2833274787       12.4086389566       13.8904754674
  O        17.0523212172       15.1758693070       13.8846722258
  H        17.4968492670       14.6248135811       13.2141232243
  O        13.1668498776       15.0604966512       14.2306165898
  H        12.4323198546       15.1627180618       14.8588987897
  O        15.5278479776       15.1771617116       16.0869400249
  H        15.0163550151       15.2717686670       16.9096668569
  H        17.5352937499       15.0611390231       14.7269171770
  H        13.9826681420       13.0500946895       13.3024599814
  H        15.8528198806       17.5045960899       13.2801069849
      14
 i =      666, E =     -1643.7395982018
 Fe        14.9430112812       15.1729099373       14.3596736519
  O        15.0588284012       16.9385359797       13.2988517778
  H        14.2687147835       17.4957413199       13.1712910637
  O        14.9443663999       13.1946818081       13.4210389822
  H        15.2833261637       12.4086390447       13.8904763387
  O        17.0523210276       15.1758695807       13.8846725909
  H        17.4968480649       14.6248110500       13.2141240914
  O        13.1668485293       15.0604968729       14.2306166598
  H        12.4322965525       15.1627244232       14.8588652353
  O        15.5278480811       15.1771615145       16.0869394544
  H        15.0163462763       15.2717616981       16.9096639312
  H        17.5352934964       15.0611392459       14.7269174289
  H        13.9826679136       13.0500960298       13.3024595755
  H        15.8528239654       17.5045916367       13.2801083338
      14
 i =      667, E =     -1643.7395979283
 Fe        14.9430102111       15.1729098524       14.3596713224
  O        15.0588288359       16.9385360399       13.2988518017
  H        14.2687188184       17.4957482927       13.1712997349
  O        14.9443665690       13.1946818562       13.4210390196
  H        15.2833247530       12.4086391009       13.8904773001
  O        17.0523210379       15.1758697306       13.8846727113
  H        17.4968466322       14.6248084627       13.2141251899
  O        13.1668498183       15.0604966686       14.2306164320
  H        12.4322700946       15.1627315226       14.8588300549
  O        15.5278480538       15.1771616329       16.0869401271
  H        15.0163372713       15.2717540779       16.9096601062
  H        17.5352932428       15.0611394884       14.7269177045
  H        13.9826677426       13.0500974981       13.3024591483
  H        15.8528282711       17.5045868182       13.2801097762
      14
 i =      668, E =     -1643.7395980274
 Fe        14.9430104765       15.1729098308       14.3596747871
  O        15.0588297444       16.9385362292       13.2988520622
  H        14.2687224877       17.4957549246       13.1713078256
  O        14.9443663026       13.1946820890       13.4210389075
  H        15.2833234986       12.4086389985       13.8904783111
  O        17.0523211238       15.1758695565       13.8846723932
  H        17.4968451162       14.6248062762       13.2141265012
  O        13.1668514872       15.0604965062       14.2306137099
  H        12.4322441084       15.1627383217       14.8587983728
  O        15.5278470944       15.1771615751       16.0869412453
  H        15.0163293587       15.2717468844       16.9096557281
  H        17.5352930484       15.0611397076       14.7269180913
  H        13.9826678271       13.0500988943       13.3024587899
  H        15.8528321373       17.5045821787       13.2801111538
      14
 i =      669, E =     -1643.7395978931
 Fe        14.9430095700       15.1729098163       14.3596694342
  O        15.0588300362       16.9385362250       13.2988520432
  H        14.2687266562       17.4957620458       13.1713166988
  O        14.9443664439       13.1946821669       13.4210389538
  H        15.2833220488       12.4086390143       13.8904793257
  O        17.0523211662       15.1758696647       13.8846724679
  H        17.4968435745       14.6248036913       13.2141277300
  O        13.1668532329       15.0604962329       14.2306133789
  H        12.4322164760       15.1627457268       14.8587624981
  O        15.5278469733       15.1771617644       16.0869426339
  H        15.0163203752       15.2717389853       16.9096514085
  H        17.5352928319       15.0611399637       14.7269183728
  H        13.9826677265       13.0501004363       13.3024583683
  H        15.8528365588       17.5045772608       13.2801126382
      14
 i =      670, E =     -1643.7395980750
 Fe        14.9430104884       15.1729097351       14.3596736756
  O        15.0588305494       16.9385365273       13.2988521660
  H        14.2687305256       17.4957685703       13.1713248210
  O        14.9443666048       13.1946821426       13.4210390043
  H        15.2833206855       12.4086391290       13.8904802248
  O        17.0523210927       15.1758697991       13.8846727770
  H        17.4968422626       14.6248012116       13.2141287562
  O        13.1668527084       15.0604962939       14.2306130054
  H        12.4321919880       15.1627523576       14.8587288706
  O        15.5278472628       15.1771615702       16.0869415494
  H        15.0163112830       15.2717319108       16.9096486396
  H        17.5352925250       15.0611402060       14.7269185568
  H        13.9826675783       13.0501018033       13.3024579660
  H        15.8528405538       17.5045726766       13.2801140022
      14
 i =      671, E =     -1643.7395980149
 Fe        14.9430088182       15.1729097459       14.3596710952
  O        15.0588310002       16.9385366156       13.2988522557
  H        14.2687346548       17.4957755687       13.1713335129
  O        14.9443667259       13.1946822069       13.4210390566
  H        15.2833192290       12.4086391862       13.8904812090
  O        17.0523210738       15.1758699022       13.8846728783
  H        17.4968407792       14.6247986043       13.2141299379
  O        13.1668538929       15.0604961265       14.2306124413
  H        12.4321649693       15.1627596287       14.8586931983
  O        15.5278472570       15.1771616359       16.0869422417
  H        15.0163020872       15.2717241820       16.9096448373
  H        17.5352922924       15.0611404534       14.7269188282
  H        13.9826674699       13.0501033056       13.3024575436
  H        15.8528448489       17.5045678096       13.2801154457
      14
 i =      672, E =     -1643.7395980930
 Fe        14.9430097634       15.1729096876       14.3596728949
  O        15.0588319574       16.9385367905       13.2988525239
  H        14.2687384181       17.4957824045       13.1713417823
  O        14.9443666813       13.1946823622       13.4210390487
  H        15.2833178637       12.4086391881       13.8904822104
  O        17.0523211173       15.1758698194       13.8846728636
  H        17.4968392739       14.6247962297       13.2141312216
  O        13.1668549261       15.0604960021       14.2306102878
  H        12.4321383273       15.1627666746       14.8586598370
  O        15.5278464450       15.1771615813       16.0869432311
  H        15.0162937015       15.2717167311       16.9096404635
  H        17.5352920158       15.0611406938       14.7269190657
  H        13.9826674143       13.0501047290       13.3024571498
  H        15.8528487951       17.5045630273       13.2801168621
      14
 i =      673, E =     -1643.7395980818
 Fe        14.9430081538       15.1729095360       14.3596716707
  O        15.0588324585       16.9385367161       13.2988523756
  H        14.2687430647       17.4957903497       13.1713515169
  O        14.9443667921       13.1946827378       13.4210392704
  H        15.2833161386       12.4086392222       13.8904832777
  O        17.0523209998       15.1758696716       13.8846728580
  H        17.4968374373       14.6247935921       13.2141330274
  O        13.1668595418       15.0604953425       14.2306098392
  H        12.4321056955       15.1627752171       14.8586206633
  O        15.5278468456       15.1771619816       16.0869439110
  H        15.0162833292       15.2717079266       16.9096362087
  H        17.5352918160       15.0611409909       14.7269191367
  H        13.9826674090       13.0501063521       13.3024566552
  H        15.8528532015       17.5045574188       13.2801184159
      14
 i =      674, E =     -1643.7395980588
 Fe        14.9430100182       15.1729097559       14.3596745282
  O        15.0588323769       16.9385368936       13.2988525437
  H        14.2687478352       17.4957978378       13.1713610172
  O        14.9443669585       13.1946826520       13.4210393482
  H        15.2833145225       12.4086393583       13.8904843408
  O        17.0523207141       15.1758700814       13.8846733516
  H        17.4968360048       14.6247904690       13.2141340490
  O        13.1668562921       15.0604956717       14.2306115834
  H        12.4320784178       15.1627828744       14.8585790305
  O        15.5278471176       15.1771618503       16.0869436237
  H        15.0162727410       15.2716994875       16.9096326043
  H        17.5352915276       15.0611412807       14.7269194579
  H        13.9826672788       13.0501079765       13.3024561586
  H        15.8528582176       17.5045522849       13.2801199916
      14
 i =      675, E =     -1643.7395979931
 Fe        14.9430081064       15.1729094680       14.3596707026
  O        15.0588328714       16.9385368398       13.2988521837
  H        14.2687519019       17.4958049417       13.1713697398
  O        14.9443670243       13.1946827895       13.4210393510
  H        15.2833129665       12.4086394553       13.8904853275
  O        17.0523206301       15.1758702207       13.8846732678
  H        17.4968344424       14.6247878537       13.2141353708
  O        13.1668591098       15.0604950742       14.2306119089
  H        12.4320503681       15.1627904446       14.8585428732
  O        15.5278472543       15.1771622478       16.0869439438
  H        15.0162633214       15.2716915897       16.9096289777
  H        17.5352913189       15.0611415404       14.7269196849
  H        13.9826672520       13.0501094875       13.3024557582
  H        15.8528622180       17.5045472668       13.2801213826
      14
 i =      676, E =     -1643.7395979997
 Fe        14.9430073371       15.1729095783       14.3596718506
  O        15.0588341135       16.9385369666       13.2988525998
  H        14.2687549570       17.4958110879       13.1713769495
  O        14.9443669175       13.1946830182       13.4210392563
  H        15.2833118331       12.4086393191       13.8904863302
  O        17.0523209316       15.1758699952       13.8846729884
  H        17.4968330022       14.6247858448       13.2141366001
  O        13.1668617420       15.0604948395       14.2306085797
  H        12.4320252495       15.1627969547       14.8585142027
  O        15.5278461354       15.1771622492       16.0869462638
  H        15.0162563606       15.2716848370       16.9096241628
  H        17.5352911190       15.0611417844       14.7269200732
  H        13.9826671958       13.0501107614       13.3024553973
  H        15.8528656473       17.5045429947       13.2801226532
      14
 i =      677, E =     -1643.7395982050
 Fe        14.9430089148       15.1729094380       14.3596748819
  O        15.0588338179       16.9385369685       13.2988520115
  H        14.2687585911       17.4958170772       13.1713844546
  O        14.9443669913       13.1946830617       13.4210391719
  H        15.2833105565       12.4086392912       13.8904872556
  O        17.0523209171       15.1758701905       13.8846729252
  H        17.4968315962       14.6247836160       13.2141378389
  O        13.1668636028       15.0604943189       14.2306103968
  H        12.4320012397       15.1628034792       14.8584823444
  O        15.5278463410       15.1771627577       16.0869467362
  H        15.0162483251       15.2716779357       16.9096205503
  H        17.5352909958       15.0611420070       14.7269202708
  H        13.9826672308       13.0501121027       13.3024550249
  H        15.8528693303       17.5045388212       13.2801237784
      14
 i =      678, E =     -1643.7395981233
 Fe        14.9430070921       15.1729096065       14.3596687393
  O        15.0588345654       16.9385371965       13.2988525492
  H        14.2687624255       17.4958235920       13.1713924887
  O        14.9443674241       13.1946828594       13.4210394440
  H        15.2833090863       12.4086395691       13.8904880871
  O        17.0523207946       15.1758705390       13.8846738629
  H        17.4968304336       14.6247807836       13.2141385486
  O        13.1668614987       15.0604946997       14.2306098466
  H        12.4319768915       15.1628102308       14.8584473028
  O        15.5278469984       15.1771623042       16.0869463052
  H        15.0162388082       15.2716707596       16.9096181115
  H        17.5352906204       15.0611422984       14.7269203314
  H        13.9826669306       13.0501135067       13.3024546040
  H        15.8528733235       17.5045342519       13.2801251764
      14
 i =      679, E =     -1643.7395981853
 Fe        14.9430088554       15.1729094123       14.3596746528
  O        15.0588347537       16.9385372860       13.2988520825
  H        14.2687664642       17.4958306415       13.1714011865
  O        14.9443674527       13.1946828982       13.4210393881
  H        15.2833075354       12.4086397101       13.8904891403
  O        17.0523208203       15.1758707177       13.8846737151
  H        17.4968288725       14.6247780779       13.2141398124
  O        13.1668634480       15.0604940889       14.2306113147
  H        12.4319490407       15.1628178367       14.8584102331
  O        15.5278472271       15.1771627081       16.0869460315
  H        15.0162290721       15.2716627884       16.9096142907
  H        17.5352903169       15.0611425832       14.7269206025
  H        13.9826668764       13.0501150054       13.3024541693
  H        15.8528774150       17.5045292237       13.2801265130
      14
 i =      680, E =     -1643.7395979383
 Fe        14.9430053432       15.1729094394       14.3596691434
  O        15.0588357068       16.9385373768       13.2988526262
  H        14.2687701245       17.4958372100       13.1714090964
  O        14.9443669796       13.1946833592       13.4210391714
  H        15.2833062988       12.4086394103       13.8904903123
  O        17.0523210043       15.1758702601       13.8846728588
  H        17.4968271357       14.6247760062       13.2141414132
  O        13.1668662258       15.0604939397       14.2306063847
  H        12.4319210929       15.1628251232       14.8583786836
  O        15.5278456380       15.1771626082       16.0869488778
  H        15.0162214893       15.2716553129       16.9096090031
  H        17.5352903094       15.0611428070       14.7269212675
  H        13.9826670938       13.0501164693       13.3024538340
  H        15.8528813073       17.5045246911       13.2801278994
      14
 i =      681, E =     -1643.7395980826
 Fe        14.9430072604       15.1729093158       14.3596720345
  O        15.0588358212       16.9385373323       13.2988524601
  H        14.2687739593       17.4958440568       13.1714174582
  O        14.9443672657       13.1946833787       13.4210393271
  H        15.2833048615       12.4086394481       13.8904913985
  O        17.0523211055       15.1758705456       13.8846732572
  H        17.4968255950       14.6247733761       13.2141426843
  O        13.1668688611       15.0604934597       14.2306089479
  H        12.4318935999       15.1628325484       14.8583426269
  O        15.5278463955       15.1771630830       16.0869503973
  H        15.0162122527       15.2716474753       16.9096046310
  H        17.5352900793       15.0611431081       14.7269214484
  H        13.9826670193       13.0501180052       13.3024533868
  H        15.8528854166       17.5045198614       13.2801291234
      14
 i =      682, E =     -1643.7395980806
 Fe        14.9430066737       15.1729094377       14.3596722838
  O        15.0588366949       16.9385378021       13.2988528311
  H        14.2687797945       17.4958538554       13.1714295621
  O        14.9443679025       13.1946831089       13.4210395855
  H        15.2833026383       12.4086397995       13.8904927497
  O        17.0523208682       15.1758710081       13.8846743899
  H        17.4968237054       14.6247691641       13.2141440232
  O        13.1668662215       15.0604938284       14.2306084766
  H        12.4318558888       15.1628430127       14.8582891891
  O        15.5278473236       15.1771625547       16.0869485762
  H        15.0161974800       15.2716365014       16.9096010218
  H        17.5352895783       15.0611435443       14.7269215766
  H        13.9826666139       13.0501201519       13.3024527482
  H        15.8528913796       17.5045129099       13.2801311401
      14
 i =      683, E =     -1643.7395981622
 Fe        14.9430063454       15.1729094349       14.3596721366
  O        15.0588369511       16.9385376904       13.2988525092
  H        14.2687835012       17.4958605452       13.1714377234
  O        14.9443680433       13.1946831943       13.4210396197
  H        15.2833011431       12.4086399762       13.8904937926
  O        17.0523209757       15.1758711842       13.8846742906
  H        17.4968222563       14.6247665197       13.2141451727
  O        13.1668688715       15.0604931580       14.2306098954
  H        12.4318291749       15.1628503351       14.8582541878
  O        15.5278477045       15.1771629962       16.0869497755
  H        15.0161883914       15.2716288775       16.9095971051
  H        17.5352892732       15.0611438577       14.7269218272
  H        13.9826664634       13.0501215624       13.3024523397
  H        15.8528951639       17.5045080878       13.2801323814
      14
 i =      684, E =     -1643.7395982580
 Fe        14.9430055914       15.1729091501       14.3596732408
  O        15.0588375131       16.9385378118       13.2988529578
  H        14.2687873969       17.4958671350       13.1714457513
  O        14.9443671240       13.1946838211       13.4210391801
  H        15.2832999292       12.4086395125       13.8904951292
  O        17.0523210456       15.1758705632       13.8846729455
  H        17.4968203411       14.6247645131       13.2141470292
  O        13.1668710994       15.0604930292       14.2306043621
  H        12.4318002054       15.1628579138       14.8582215875
  O        15.5278454237       15.1771628933       16.0869521261
  H        15.0161805975       15.2716211439       16.9095914327
  H        17.5352893630       15.0611440467       14.7269227161
  H        13.9826669441       13.0501230886       13.3024520220
  H        15.8528993586       17.5045036350       13.2801337974
      14
 i =      685, E =     -1643.7395978582
 Fe        14.9430051113       15.1729092342       14.3596706871
  O        15.0588377891       16.9385377233       13.2988528714
  H        14.2687912303       17.4958740204       13.1714541435
  O        14.9443675392       13.1946838449       13.4210393541
  H        15.2832984696       12.4086395471       13.8904962622
  O        17.0523211462       15.1758708617       13.8846734320
  H        17.4968188002       14.6247617739       13.2141482850
  O        13.1668734671       15.0604926598       14.2306059063
  H        12.4317723819       15.1628655126       14.8581851388
  O        15.5278461664       15.1771632591       16.0869536044
  H        15.0161711542       15.2716132145       16.9095873371
  H        17.5352891539       15.0611443933       14.7269229003
  H        13.9826668014       13.0501246772       13.3024515960
  H        15.8529035141       17.5044987540       13.2801350206
      14
 i =      686, E =     -1643.7395981246
 Fe        14.9430068498       15.1729092528       14.3596718319
  O        15.0588387143       16.9385382552       13.2988532528
  H        14.2687947199       17.4958798477       13.1714612626
  O        14.9443684145       13.1946832924       13.4210397517
  H        15.2832969598       12.4086401517       13.8904968432
  O        17.0523209132       15.1758712926       13.8846750076
  H        17.4968179016       14.6247589399       13.2141487295
  O        13.1668690326       15.0604932645       14.2306051669
  H        12.4317507805       15.1628716834       14.8581521076
  O        15.5278463544       15.1771626144       16.0869510313
  H        15.0161619079       15.2716067118       16.9095856898
  H        17.5352885235       15.0611446941       14.7269225206
  H        13.9826661520       13.0501258711       13.3024511538
  H        15.8529069951       17.5044945996       13.2801363381
      14
 i =      687, E =     -1643.7395982293
 Fe        14.9430046913       15.1729091958       14.3596747627
  O        15.0588387524       16.9385382886       13.2988528413
  H        14.2687977968       17.4958855274       13.1714682012
  O        14.9443681799       13.1946833306       13.4210393830
  H        15.2832958565       12.4086400368       13.8904979728
  O        17.0523212443       15.1758713789       13.8846742602
  H        17.4968165153       14.6247567406       13.2141497838
  O        13.1668713436       15.0604928005       14.2306053604
  H        12.4317278110       15.1628780404       14.8581223137
  O        15.5278456928       15.1771630326       16.0869529831
  H        15.0161547502       15.2716000519       16.9095811883
  H        17.5352884358       15.0611449351       14.7269231367
  H        13.9826661892       13.0501272506       13.3024508500
  H        15.8529105581       17.5044905950       13.2801374269
      14
 i =      688, E =     -1643.7395981724
 Fe        14.9430045297       15.1729091914       14.3596694331
  O        15.0588393591       16.9385382773       13.2988533337
  H        14.2688014897       17.4958918037       13.1714758022
  O        14.9443676950       13.1946838218       13.4210392053
  H        15.2832945906       12.4086397813       13.8904991628
  O        17.0523211713       15.1758710454       13.8846736165
  H        17.4968148526       14.6247545416       13.2141512971
  O        13.1668730174       15.0604927236       14.2306014485
  H        12.4317008325       15.1628852375       14.8580902219
  O        15.5278447600       15.1771628119       16.0869541676
  H        15.0161464182       15.2715927733       16.9095769668
  H        17.5352883845       15.0611451401       14.7269237334
  H        13.9826663914       13.0501286817       13.3024505177
  H        15.8529144965       17.5044863247       13.2801387733
      14
 i =      689, E =     -1643.7395982192
 Fe        14.9430043386       15.1729090157       14.3596724121
  O        15.0588394818       16.9385384527       13.2988531736
  H        14.2688051569       17.4958982074       13.1714836960
  O        14.9443678595       13.1946836804       13.4210392853
  H        15.2832932185       12.4086398599       13.8905002759
  O        17.0523213721       15.1758712647       13.8846738398
  H        17.4968133468       14.6247519310       13.2141524551
  O        13.1668751820       15.0604923673       14.2306028584
  H        12.4316744965       15.1628925087       14.8580554896
  O        15.5278450594       15.1771631279       16.0869551790
  H        15.0161373944       15.2715852276       16.9095728692
  H        17.5352881601       15.0611454621       14.7269240492
  H        13.9826663549       13.0501302571       13.3024501345
  H        15.8529185186       17.5044817237       13.2801399804
      14
 i =      690, E =     -1643.7395981889
 Fe        14.9430047138       15.1729091623       14.3596733047
  O        15.0588405748       16.9385387507       13.2988535148
  H        14.2688086927       17.4959043956       13.1714911106
  O        14.9443684937       13.1946835011       13.4210394939
  H        15.2832917238       12.4086402043       13.8905011008
  O        17.0523211752       15.1758715387       13.8846747560
  H        17.4968122011       14.6247491405       13.2141532360
  O        13.1668728541       15.0604927538       14.2306014580
  H        12.4316506924       15.1628992193       14.8580214510
  O        15.5278450170       15.1771626840       16.0869538078
  H        15.0161281634       15.2715782426       16.9095701761
  H        17.5352876922       15.0611457372       14.7269239702
  H        13.9826658538       13.0501315639       13.3024497238
  H        15.8529221112       17.5044773530       13.2801413357
      14
 i =      691, E =     -1643.7395983159
 Fe        14.9430028717       15.1729090205       14.3596710860
  O        15.0588409158       16.9385387358       13.2988539647
  H        14.2688126251       17.4959108844       13.1714990495
  O        14.9443678625       13.1946840729       13.4210392900
  H        15.2832904127       12.4086398867       13.8905024163
  O        17.0523211739       15.1758711073       13.8846738119
  H        17.4968103738       14.6247469091       13.2141549473
  O        13.1668752464       15.0604926281       14.2305977142
  H        12.4316223472       15.1629068010       14.8579878151
  O        15.5278438561       15.1771625567       16.0869556715
  H        15.0161196523       15.2715705478       16.9095652668
  H        17.5352877137       15.0611459537       14.7269247038
  H        13.9826661466       13.0501331341       13.3024493927
  H        15.8529263179       17.5044729101       13.2801426787
      14
 i =      692, E =     -1643.7395981867
 Fe        14.9430040061       15.1729090109       14.3596728642
  O        15.0588412412       16.9385388678       13.2988540371
  H        14.2688163121       17.4959169499       13.1715064739
  O        14.9443680294       13.1946840776       13.4210393761
  H        15.2832890090       12.4086400150       13.8905034058
  O        17.0523211107       15.1758712205       13.8846740620
  H        17.4968089839       14.6247443992       13.2141560794
  O        13.1668755204       15.0604925831       14.2305972793
  H        12.4315973853       15.1629137345       14.8579543939
  O        15.5278436244       15.1771625548       16.0869558458
  H        15.0161109973       15.2715633840       16.9095615583
  H        17.5352874399       15.0611462162       14.7269249336
  H        13.9826660168       13.0501345187       13.3024490153
  H        15.8529301683       17.5044686876       13.2801439727
      14
 i =      693, E =     -1643.7395980848
 Fe        14.9430038954       15.1729090511       14.3596737802
  O        15.0588419341       16.9385390937       13.2988543020
  H        14.2688178788       17.4959197715       13.1715098076
  O        14.9443684636       13.1946838679       13.4210396156
  H        15.2832882757       12.4086403150       13.8905037020
  O        17.0523210349       15.1758714082       13.8846748591
  H        17.4968085484       14.6247430187       13.2141563136
  O        13.1668739715       15.0604928536       14.2305965974
  H        12.4315868839       15.1629167274       14.8579388532
  O        15.5278437342       15.1771622382       16.0869550781
  H        15.0161066548       15.2715602679       16.9095606003
  H        17.5352871109       15.0611463770       14.7269246969
  H        13.9826656741       13.0501351111       13.3024488152
  H        15.8529316881       17.5044666066       13.2801445632
      14
 i =      694, E =     -1643.7395981414
 Fe        14.9430026804       15.1729089665       14.3596713962
  O        15.0588421410       16.9385391414       13.2988543092
  H        14.2688207613       17.4959245266       13.1715156295
  O        14.9443685082       13.1946839346       13.4210396433
  H        15.2832871846       12.4086403798       13.8905045043
  O        17.0523210534       15.1758714324       13.8846748063
  H        17.4968074026       14.6247410807       13.2141572679
  O        13.1668752050       15.0604926875       14.2305963183
  H        12.4315669718       15.1629222395       14.8579127190
  O        15.5278436233       15.1771623464       16.0869557561
  H        15.0160998992       15.2715546103       16.9095575936
  H        17.5352869434       15.0611465748       14.7269249237
  H        13.9826655811       13.0501362314       13.3024485184
  H        15.8529346791       17.5044632731       13.2801455716
      14
 i =      695, E =     -1643.7395981921
 Fe        14.9430030001       15.1729089595       14.3596746478
  O        15.0588425873       16.9385391846       13.2988545446
  H        14.2688240855       17.4959301485       13.1715224264
  O        14.9443680785       13.1946843227       13.4210394485
  H        15.2832860130       12.4086401871       13.8905056222
  O        17.0523210100       15.1758712348       13.8846742453
  H        17.4968059226       14.6247389987       13.2141586067
  O        13.1668762372       15.0604926227       14.2305941023
  H        12.4315431278       15.1629287409       14.8578828009
  O        15.5278428154       15.1771622510       16.0869565339
  H        15.0160922522       15.2715479749       16.9095536332
  H        17.5352868633       15.0611467701       14.7269254634
  H        13.9826657415       13.0501375602       13.3024482208
  H        15.8529382506       17.5044594231       13.2801467621
      14
 i =      696, E =     -1643.7395981791
 Fe        14.9430021091       15.1729089297       14.3596700778
  O        15.0588428308       16.9385391565       13.2988545900
  H        14.2688274979       17.4959357912       13.1715293202
  O        14.9443680794       13.1946844607       13.4210394674
  H        15.2832847313       12.4086401840       13.8905066295
  O        17.0523209764       15.1758713068       13.8846742094
  H        17.4968045362       14.6247366998       13.2141597515
  O        13.1668776140       15.0604924400       14.2305935777
  H        12.4315193160       15.1629353435       14.8578517902
  O        15.5278426753       15.1771623511       16.0869576101
  H        15.0160842989       15.2715412232       16.9095499647
  H        17.5352867317       15.0611469963       14.7269258224
  H        13.9826657325       13.0501389241       13.3024478939
  H        15.8529418533       17.5044555150       13.2801479582
      14
 i =      697, E =     -1643.7395982479
 Fe        14.9430029038       15.1729088997       14.3596722537
  O        15.0588439308       16.9385395683       13.2988549115
  H        14.2688305661       17.4959412650       13.1715357970
  O        14.9443687265       13.1946841485       13.4210397856
  H        15.2832833559       12.4086406296       13.8905073259
  O        17.0523209765       15.1758715156       13.8846752349
  H        17.4968034973       14.6247342012       13.2141604748
  O        13.1668762353       15.0604927014       14.2305924321
  H        12.4314977748       15.1629414036       14.8578217587
  O        15.5278425241       15.1771620114       16.0869566967
  H        15.0160761995       15.2715349759       16.9095472073
  H        17.5352861888       15.0611472953       14.7269255941
  H        13.9826652143       13.0501401072       13.3024475139
  H        15.8529449473       17.5044515352       13.2801491152
      14
 i =      698, E =     -1643.7395980997
 Fe        14.9430018062       15.1729088446       14.3596740814
  O        15.0588439930       16.9385396183       13.2988546902
  H        14.2688333123       17.4959458169       13.1715413622
  O        14.9443688574       13.1946841059       13.4210397876
  H        15.2832822783       12.4086407629       13.8905080868
  O        17.0523210120       15.1758716603       13.8846752536
  H        17.4968024504       14.6247322316       13.2141613019
  O        13.1668776182       15.0604924299       14.2305931741
  H        12.4314788156       15.1629467373       14.8577961487
  O        15.5278426501       15.1771622522       16.0869569627
  H        15.0160695342       15.2715295083       16.9095444230
  H        17.5352859774       15.0611474991       14.7269257805
  H        13.9826650579       13.0501411856       13.3024472204
  H        15.8529478029       17.5044483307       13.2801500860
      14
 i =      699, E =     -1643.7395982322
 Fe        14.9430017451       15.1729088910       14.3596705466
  O        15.0588443811       16.9385396019       13.2988549763
  H        14.2688366663       17.4959513666       13.1715480681
  O        14.9443683059       13.1946845784       13.4210396055
  H        15.2832811107       12.4086405258       13.8905092269
  O        17.0523209750       15.1758713969       13.8846746171
  H        17.4968009104       14.6247302000       13.2141627403
  O        13.1668791654       15.0604922746       14.2305908570
  H        12.4314546199       15.1629533112       14.8577664846
  O        15.5278420818       15.1771622006       16.0869582934
  H        15.0160618761       15.2715228781       16.9095405357
  H        17.5352859372       15.0611476910       14.7269263038
  H        13.9826653104       13.0501425311       13.3024469280
  H        15.8529513015       17.5044444953       13.2801512585
      14
 i =      700, E =     -1643.7395982471
 Fe        14.9430015222       15.1729087636       14.3596708752
  O        15.0588446315       16.9385396942       13.2988550137
  H        14.2688401311       17.4959570440       13.1715549739
  O        14.9443682470       13.1946847036       13.4210395990
  H        15.2832798065       12.4086405489       13.8905102623
  O        17.0523209469       15.1758714227       13.8846745348
  H        17.4967994995       14.6247278826       13.2141639568
  O        13.1668804276       15.0604920813       14.2305904222
  H        12.4314303569       15.1629600474       14.8577349976
  O        15.5278419678       15.1771622699       16.0869587507
  H        15.0160536147       15.2715160475       16.9095369339
  H        17.5352857616       15.0611479303       14.7269266733
  H        13.9826653244       13.0501438845       13.3024465957
  H        15.8529549024       17.5044405335       13.2801524597
      14
 i =      701, E =     -1643.7395982083
 Fe        14.9430017025       15.1729088099       14.3596715499
  O        15.0588455745       16.9385399606       13.2988552784
  H        14.2688427767       17.4959617757       13.1715605277
  O        14.9443687749       13.1946844977       13.4210398524
  H        15.2832786024       12.4086409005       13.8905108925
  O        17.0523209083       15.1758716030       13.8846753407
  H        17.4967985766       14.6247257262       13.2141646293
  O        13.1668793904       15.0604922830       14.2305892992
  H        12.4314114851       15.1629653553       14.8577090059
  O        15.5278417945       15.1771620068       16.0869583163
  H        15.0160466661       15.2715106043       16.9095344280
  H        17.5352853467       15.0611481754       14.7269265089
  H        13.9826649122       13.0501449188       13.3024462745
  H        15.8529575518       17.5044371232       13.2801534544
      14
 i =      702, E =     -1643.7395982306
 Fe        14.9430007262       15.1729087256       14.3596741289
  O        15.0588457387       16.9385400400       13.2988551824
  H        14.2688463358       17.4959675892       13.1715675960
  O        14.9443688148       13.1946845474       13.4210398591
  H        15.2832772251       12.4086410169       13.8905119117
  O        17.0523209183       15.1758716871       13.8846753164
  H        17.4967971762       14.6247232589       13.2141658117
  O        13.1668808379       15.0604920240       14.2305894647
  H        12.4313867701       15.1629722638       14.8576763180
  O        15.5278418877       15.1771621758       16.0869587768
  H        15.0160380563       15.2715035877       16.9095308737
  H        17.5352851091       15.0611484313       14.7269267794
  H        13.9826648085       13.0501463007       13.3024459121
  H        15.8529611997       17.5044330415       13.2801546941
      14
 i =      703, E =     -1643.7395983046
 Fe        14.9430008869       15.1729088035       14.3596698997
  O        15.0588462305       16.9385399590       13.2988555189
  H        14.2688500388       17.4959738146       13.1715750425
  O        14.9443683232       13.1946850493       13.4210396960
  H        15.2832758756       12.4086407810       13.8905131888
  O        17.0523208322       15.1758714743       13.8846747457
  H        17.4967954758       14.6247208987       13.2141673598
  O        13.1668821306       15.0604919035       14.2305870733
  H        12.4313597324       15.1629796735       14.8576426826
  O        15.5278411336       15.1771621183       16.0869604896
  H        15.0160295019       15.2714961070       16.9095263814
  H        17.5352850645       15.0611486490       14.7269273516
  H        13.9826650284       13.0501478154       13.3024455775
  H        15.8529651111       17.5044287704       13.2801560026
      14
 i =      704, E =     -1643.7395981952
 Fe        14.9430002598       15.1729086018       14.3596725245
  O        15.0588463993       16.9385400559       13.2988554665
  H        14.2688536621       17.4959797021       13.1715822144
  O        14.9443683242       13.1946851460       13.4210397037
  H        15.2832744866       12.4086408126       13.8905142931
  O        17.0523208258       15.1758715535       13.8846747036
  H        17.4967939821       14.6247184394       13.2141686256
  O        13.1668837513       15.0604916511       14.2305871174
  H        12.4313342060       15.1629867942       14.8576094703
  O        15.5278412108       15.1771622492       16.0869608850
  H        15.0160207050       15.2714889278       16.9095227065
  H        17.5352849042       15.0611488990       14.7269277606
  H        13.9826650396       13.0501492626       13.3024452276
  H        15.8529688812       17.5044246557       13.2801572499
      14
 i =      705, E =     -1643.7395983581
 Fe        14.9430007934       15.1729087525       14.3596724225
  O        15.0588476487       16.9385403839       13.2988557978
  H        14.2688566214       17.4959851148       13.1715884929
  O        14.9443691378       13.1946847815       13.4210401233
  H        15.2832730517       12.4086413378       13.8905149474
  O        17.0523208157       15.1758718206       13.8846759449
  H        17.4967929617       14.6247158802       13.2141693260
  O        13.1668823482       15.0604918804       14.2305861630
  H        12.4313126370       15.1629929090       14.8575794525
  O        15.5278411803       15.1771619577       16.0869605310
  H        15.0160126238       15.2714826893       16.9095199934
  H        17.5352843486       15.0611492127       14.7269274064
  H        13.9826644482       13.0501504373       13.3024448406
  H        15.8529717747       17.5044206812       13.2801583772
      14
 i =      706, E =     -1643.7395982675
 Fe        14.9429996183       15.1729086011       14.3596721147
  O        15.0588477065       16.9385404593       13.2988556220
  H        14.2688600135       17.4959905984       13.1715951557
  O        14.9443691901       13.1946848114       13.4210401284
  H        15.2832717145       12.4086414814       13.8905159170
  O        17.0523208567       15.1758718976       13.8846758962
  H        17.4967916079       14.6247135139       13.2141704772
  O        13.1668840247       15.0604915488       14.2305866446
  H        12.4312889338       15.1629995596       14.8575481825
  O        15.5278414139       15.1771621851       16.0869609918
  H        15.0160042936       15.2714759895       16.9095167217
  H        17.5352841104       15.0611494649       14.7269276263
  H        13.9826643252       13.0501517506       13.3024444866
  H        15.8529751961       17.5044168011       13.2801595516
      14
 i =      707, E =     -1643.7395983893
 Fe        14.9429998828       15.1729086450       14.3596728842
  O        15.0588480145       16.9385403747       13.2988558041
  H        14.2688635065       17.4959965137       13.1716022043
  O        14.9443685754       13.1946853400       13.4210398097
  H        15.2832704825       12.4086411626       13.8905172384
  O        17.0523207674       15.1758717191       13.8846750804
  H        17.4967899697       14.6247112334       13.2141719709
  O        13.1668853859       15.0604913937       14.2305847921
  H        12.4312631058       15.1630066982       14.8575157010
  O        15.5278404741       15.1771622336       16.0869624775
  H        15.0159961544       15.2714687716       16.9095121070
  H        17.5352841193       15.0611496687       14.7269283555
  H        13.9826645884       13.0501532216       13.3024441737
  H        15.8529790170       17.5044127847       13.2801608014
      14
 i =      708, E =     -1643.7395982437
 Fe        14.9429977682       15.1729084529       14.3596697562
  O        15.0588496185       16.9385406620       13.2988563882
  H        14.2688738222       17.4960138986       13.1716229928
  O        14.9443692471       13.1946853571       13.4210401875
  H        15.2832661963       12.4086416186       13.8905202757
  O        17.0523207101       15.1758720557       13.8846760648
  H        17.4967858089       14.6247035607       13.2141752406
  O        13.1668869676       15.0604913754       14.2305814414
  H        12.4311888030       15.1630275534       14.8574178714
  O        15.5278398733       15.1771619361       16.0869641316
  H        15.0159704256       15.2714477341       16.9095011669
  H        17.5352833300       15.0611504810       14.7269289939
  H        13.9826640451       13.0501574633       13.3024430947
  H        15.8529898189       17.5044005743       13.2801644939
      14
 i =      709, E =     -1643.7395984162
 Fe        14.9429995352       15.1729085088       14.3596728325
  O        15.0588497608       16.9385407548       13.2988560040
  H        14.2688769659       17.4960192751       13.1716294029
  O        14.9443688747       13.1946856112       13.4210398828
  H        15.2832650588       12.4086414906       13.8905214379
  O        17.0523208047       15.1758720077       13.8846753654
  H        17.4967843536       14.6247013819       13.2141766256
  O        13.1668888374       15.0604908120       14.2305824752
  H        12.4311654412       15.1630341803       14.8573872052
  O        15.5278396670       15.1771623832       16.0869645465
  H        15.0159625209       15.2714410805       16.9094973325
  H        17.5352831678       15.0611507353       14.7269295336
  H        13.9826641573       13.0501587263       13.3024427991
  H        15.8529931095       17.5043967803       13.2801656232
      14
 i =      710, E =     -1643.7395984535
 Fe        14.9429979998       15.1729085124       14.3596725039
  O        15.0588504671       16.9385410896       13.2988557719
  H        14.2688799030       17.4960248406       13.1716359270
  O        14.9443696545       13.1946849591       13.4210399527
  H        15.2832636176       12.4086419318       13.8905223288
  O        17.0523212516       15.1758724833       13.8846762971
  H        17.4967832093       14.6246985684       13.2141771445
  O        13.1668883825       15.0604908218       14.2305825994
  H        12.4311427576       15.1630407261       14.8573553673
  O        15.5278391862       15.1771624404       16.0869655576
  H        15.0159545920       15.2714343280       16.9094930912
  H        17.5352825984       15.0611510304       14.7269294217
  H        13.9826635340       13.0501601163       13.3024423957
  H        15.8529965102       17.5043928219       13.2801668910
      14
 i =      711, E =     -1643.7395984186
 Fe        14.9429980372       15.1729084127       14.3596720766
  O        15.0588505224       16.9385409774       13.2988558183
  H        14.2688833158       17.4960303592       13.1716425739
  O        14.9443687976       13.1946856170       13.4210396074
  H        15.2832624722       12.4086415368       13.8905236827
  O        17.0523210644       15.1758722393       13.8846751932
  H        17.4967815427       14.6246964579       13.2141787887
  O        13.1668913894       15.0604903654       14.2305814201
  H        12.4311173275       15.1630477513       14.8573244725
  O        15.5278397063       15.1771625184       16.0869655568
  H        15.0159458083       15.2714275259       16.9094901077
  H        17.5352827162       15.0611512063       14.7269302604
  H        13.9826640239       13.0501615511       13.3024421473
  H        15.8530000298       17.5043889960       13.2801680570
      14
 i =      712, E =     -1643.7395983672
 Fe        14.9429977091       15.1729084657       14.3596732600
  O        15.0588507846       16.9385412331       13.2988555336
  H        14.2688866683       17.4960360122       13.1716493715
  O        14.9443690505       13.1946853649       13.4210395891
  H        15.2832611128       12.4086417240       13.8905247362
  O        17.0523211549       15.1758725191       13.8846753785
  H        17.4967802308       14.6246937653       13.2141797602
  O        13.1668921030       15.0604901092       14.2305824917
  H        12.4310932303       15.1630547031       14.8572911500
  O        15.5278402031       15.1771626945       16.0869655817
  H        15.0159367825       15.2714205389       16.9094868959
  H        17.5352824257       15.0611515032       14.7269306257
  H        13.9826638395       13.0501629428       13.3024418120
  H        15.8530035594       17.5043849621       13.2801693204
      14
 i =      713, E =     -1643.7395983675
 Fe        14.9429978077       15.1729083883       14.3596710666
  O        15.0588517095       16.9385411673       13.2988558353
  H        14.2688897443       17.4960416592       13.1716558501
  O        14.9443694502       13.1946854285       13.4210398442
  H        15.2832596534       12.4086419588       13.8905256874
  O        17.0523211876       15.1758725439       13.8846759944
  H        17.4967788736       14.6246912842       13.2141808807
  O        13.1668932531       15.0604899757       14.2305809994
  H        12.4310686751       15.1630615622       14.8572601140
  O        15.5278395416       15.1771627464       16.0869671627
  H        15.0159289285       15.2714136712       16.9094825911
  H        17.5352820329       15.0611517862       14.7269305199
  H        13.9826635696       13.0501642718       13.3024414700
  H        15.8530066858       17.5043809617       13.2801704880
      14
 i =      714, E =     -1643.7395983685
 Fe        14.9429970350       15.1729083037       14.3596717898
  O        15.0588516116       16.9385412148       13.2988556204
  H        14.2688931177       17.4960472446       13.1716626306
  O        14.9443691567       13.1946856781       13.4210396729
  H        15.2832584094       12.4086417558       13.8905269562
  O        17.0523213070       15.1758725048       13.8846754578
  H        17.4967772639       14.6246889310       13.2141822725
  O        13.1668958423       15.0604894176       14.2305819153
  H        12.4310431862       15.1630687655       14.8572273964
  O        15.5278398072       15.1771631540       16.0869679509
  H        15.0159201712       15.2714065390       16.9094787045
  H        17.5352819629       15.0611520430       14.7269311188
  H        13.9826637104       13.0501657358       13.3024411364
  H        15.8530103501       17.5043770772       13.2801716666
      14
 i =      715, E =     -1643.7395981735
 Fe        14.9429980719       15.1729084032       14.3596735513
  O        15.0588526301       16.9385414659       13.2988559110
  H        14.2688967507       17.4960535224       13.1716699634
  O        14.9443696410       13.1946854936       13.4210400041
  H        15.2832567065       12.4086421738       13.8905279518
  O        17.0523211910       15.1758726680       13.8846762720
  H        17.4967758195       14.6246859986       13.2141834342
  O        13.1668951371       15.0604895168       14.2305808269
  H        12.4310163226       15.1630764345       14.8571912121
  O        15.5278397418       15.1771629302       16.0869677393
  H        15.0159103835       15.2713988882       16.9094750702
  H        17.5352815117       15.0611523653       14.7269310441
  H        13.9826634369       13.0501672285       13.3024407457
  H        15.8530138109       17.5043724810       13.2801729985
      14
 i =      716, E =     -1643.7395983350
 Fe        14.9429966418       15.1729082813       14.3596713523
  O        15.0588527646       16.9385414642       13.2988556081
  H        14.2688999275       17.4960589905       13.1716765058
  O        14.9443698008       13.1946854493       13.4210400073
  H        15.2832553034       12.4086423212       13.8905289973
  O        17.0523212498       15.1758728412       13.8846763113
  H        17.4967744173       14.6246834805       13.2141845214
  O        13.1668970937       15.0604890298       14.2305819128
  H        12.4309921013       15.1630833815       14.8571590959
  O        15.5278400012       15.1771633145       16.0869684759
  H        15.0159018322       15.2713919824       16.9094715235
  H        17.5352812880       15.0611526446       14.7269312517
  H        13.9826633086       13.0501686326       13.3024403985
  H        15.8530170810       17.5043685795       13.2801741307
      14
 i =      717, E =     -1643.7395983523
 Fe        14.9429968463       15.1729082978       14.3596732781
  O        15.0588530020       16.9385414113       13.2988560180
  H        14.2689033127       17.4960644534       13.1716829940
  O        14.9443693270       13.1946860399       13.4210397755
  H        15.2832540744       12.4086420413       13.8905303044
  O        17.0523210905       15.1758725934       13.8846756855
  H        17.4967728315       14.6246812434       13.2141860247
  O        13.1668978396       15.0604890651       14.2305791351
  H        12.4309669727       15.1630903857       14.8571279882
  O        15.5278391595       15.1771631314       16.0869695528
  H        15.0158937639       15.2713850588       16.9094672959
  H        17.5352812581       15.0611528487       14.7269318860
  H        13.9826635059       13.0501700149       13.3024401199
  H        15.8530206527       17.5043648493       13.2801753051
      14
 i =      718, E =     -1643.7395983129
 Fe        14.9429968231       15.1729082888       14.3596718197
  O        15.0588538645       16.9385416482       13.2988562683
  H        14.2689060664       17.4960692070       13.1716885433
  O        14.9443697693       13.1946858297       13.4210401100
  H        15.2832527341       12.4086424539       13.8905310146
  O        17.0523209915       15.1758727288       13.8846764467
  H        17.4967717567       14.6246789495       13.2141868596
  O        13.1668971676       15.0604892081       14.2305781013
  H        12.4309466011       15.1630962343       14.8571003215
  O        15.5278392517       15.1771628731       16.0869690974
  H        15.0158860797       15.2713792640       16.9094649292
  H        17.5352808839       15.0611531210       14.7269317567
  H        13.9826632316       13.0501711596       13.3024398148
  H        15.8530232093       17.5043613129       13.2801763019
      14
 i =      719, E =     -1643.7395983534
 Fe        14.9429958062       15.1729081858       14.3596732856
  O        15.0588539941       16.9385416697       13.2988563845
  H        14.2689091906       17.4960742095       13.1716945377
  O        14.9443698223       13.1946859907       13.4210401455
  H        15.2832514525       12.4086425253       13.8905320281
  O        17.0523209825       15.1758727021       13.8846764219
  H        17.4967704054       14.6246767011       13.2141880451
  O        13.1668982230       15.0604891067       14.2305773366
  H        12.4309238203       15.1631026978       14.8570708176
  O        15.5278389086       15.1771629135       16.0869698401
  H        15.0158783577       15.2713728501       16.9094612699
  H        17.5352806867       15.0611533592       14.7269320112
  H        13.9826631269       13.0501724309       13.3024395042
  H        15.8530264279       17.5043578201       13.2801773817
      14
 i =      720, E =     -1643.7395981531
 Fe        14.9429962269       15.1729082588       14.3596708483
  O        15.0588545534       16.9385416918       13.2988566779
  H        14.2689131175       17.4960807404       13.1717022382
  O        14.9443696023       13.1946863004       13.4210401340
  H        15.2832498371       12.4086425125       13.8905333937
  O        17.0523208341       15.1758726509       13.8846762770
  H        17.4967686348       14.6246738169       13.2141896052
  O        13.1668987190       15.0604891100       14.2305757349
  H        12.4308945682       15.1631109938       14.8570327150
  O        15.5278384232       15.1771627985       16.0869708284
  H        15.0158683465       15.2713646121       16.9094567544
  H        17.5352805146       15.0611536489       14.7269324661
  H        13.9826631931       13.0501740997       13.3024391269
  H        15.8530304485       17.5043532257       13.2801787777
      14
 i =      721, E =     -1643.7395983879
 Fe        14.9429953092       15.1729081043       14.3596710236
  O        15.0588548969       16.9385418002       13.2988567890
  H        14.2689161668       17.4960857421       13.1717081888
  O        14.9443696208       13.1946864016       13.4210401724
  H        15.2832485575       12.4086425885       13.8905344183
  O        17.0523208213       15.1758726609       13.8846762893
  H        17.4967672806       14.6246715499       13.2141907668
  O        13.1668996335       15.0604890247       14.2305749560
  H        12.4308718127       15.1631174740       14.8570031338
  O        15.5278381676       15.1771627776       16.0869712581
  H        15.0158604878       15.2713582149       16.9094532697
  H        17.5352803383       15.0611538869       14.7269327888
  H        13.9826631472       13.0501753998       13.3024388271
  H        15.8530335838       17.5043496875       13.2801798574
      14
 i =      722, E =     -1643.7395985043
 Fe        14.9429955261       15.1729081547       14.3596721976
  O        15.0588555245       16.9385419901       13.2988569941
  H        14.2689190458       17.4960906238       13.1717138926
  O        14.9443699902       13.1946862972       13.4210403658
  H        15.2832472429       12.4086428837       13.8905352719
  O        17.0523207997       15.1758727704       13.8846768674
  H        17.4967661214       14.6246691859       13.2141916991
  O        13.1668994569       15.0604891303       14.2305738060
  H        12.4308503297       15.1631236254       14.8569744366
  O        15.5278379884       15.1771625913       16.0869710357
  H        15.0158526904       15.2713521236       16.9094503166
  H        17.5352799727       15.0611541683       14.7269327798
  H        13.9826628343       13.0501765952       13.3024385005
  H        15.8530365085       17.5043461818       13.2801808937
      14
 i =      723, E =     -1643.7395983359
 Fe        14.9429949693       15.1729081063       14.3596733689
  O        15.0588557672       16.9385420233       13.2988569574
  H        14.2689212398       17.4960943391       13.1717182457
  O        14.9443701927       13.1946862664       13.4210404469
  H        15.2832462530       12.4086430556       13.8905359607
  O        17.0523208354       15.1758728584       13.8846770747
  H        17.4967651868       14.6246674204       13.2141924710
  O        13.1669004553       15.0604889393       14.2305739933
  H        12.4308336527       15.1631284226       14.8569523816
  O        15.5278379752       15.1771627313       16.0869714102
  H        15.0158468503       15.2713473842       16.9094477582
  H        17.5352797385       15.0611543757       14.7269328295
  H        13.9826626426       13.0501775231       13.3024382498
  H        15.8530387633       17.5043435401       13.2801816813
      14
 i =      724, E =     -1643.7395984071
 Fe        14.9429948228       15.1729081254       14.3596710825
  O        15.0588559588       16.9385419676       13.2988571717
  H        14.2689242395       17.4960991612       13.1717239937
  O        14.9443694926       13.1946868032       13.4210401502
  H        15.2832451701       12.4086427324       13.8905372067
  O        17.0523206882       15.1758726592       13.8846761910
  H        17.4967636877       14.6246654223       13.2141938648
  O        13.1669011002       15.0604889468       14.2305721768
  H        12.4308114171       15.1631347172       14.8569239284
  O        15.5278372594       15.1771626451       16.0869727564
  H        15.0158395856       15.2713411365       16.9094439154
  H        17.5352798441       15.0611545370       14.7269336183
  H        13.9826630002       13.0501788494       13.3024380147
  H        15.8530419603       17.5043402356       13.2801827348
      14
 i =      725, E =     -1643.7395983907
 Fe        14.9429944093       15.1729080083       14.3596720757
  O        15.0588561770       16.9385419915       13.2988571840
  H        14.2689273124       17.4961042235       13.1717300084
  O        14.9443695202       13.1946869292       13.4210401497
  H        15.2832438954       12.4086427293       13.8905383165
  O        17.0523206930       15.1758727304       13.8846761576
  H        17.4967622867       14.6246630896       13.2141950400
  O        13.1669024506       15.0604887432       14.2305719043
  H        12.4307880961       15.1631413994       14.8568935735
  O        15.5278370812       15.1771627586       16.0869735285
  H        15.0158316399       15.2713345460       16.9094401246
  H        17.5352797226       15.0611547811       14.7269340570
  H        13.9826629746       13.0501802098       13.3024377102
  H        15.8530452507       17.5043367038       13.2801838269
      14
 i =      726, E =     -1643.7395984627
 Fe        14.9429946174       15.1729080896       14.3596729637
  O        15.0588574255       16.9385423435       13.2988574918
  H        14.2689301402       17.4961093907       13.1717358796
  O        14.9443705181       13.1946864081       13.4210406941
  H        15.2832423551       12.4086434347       13.8905389738
  O        17.0523207689       15.1758730364       13.8846777185
  H        17.4967612619       14.6246603408       13.2141957156
  O        13.1669014920       15.0604889753       14.2305708221
  H        12.4307660763       15.1631477853       14.8568632128
  O        15.5278371991       15.1771624274       16.0869727006
  H        15.0158231412       15.2713282456       16.9094375230
  H        17.5352790388       15.0611551513       14.7269335514
  H        13.9826622721       13.0501814198       13.3024373262
  H        15.8530480034       17.5043328453       13.2801849133
      14
 i =      727, E =     -1643.7395983547
 Fe        14.9429941111       15.1729080262       14.3596722935
  O        15.0588574440       16.9385423012       13.2988572253
  H        14.2689315995       17.4961119710       13.1717388948
  O        14.9443708049       13.1946863000       13.4210407366
  H        15.2832416338       12.4086436168       13.8905394428
  O        17.0523208621       15.1758732055       13.8846778926
  H        17.4967606335       14.6246590364       13.2141961734
  O        13.1669029367       15.0604886187       14.2305721874
  H        12.4307544742       15.1631511905       14.8568474888
  O        15.5278374112       15.1771627703       16.0869730597
  H        15.0158190425       15.2713248793       16.9094356067
  H        17.5352788314       15.0611553027       14.7269335277
  H        13.9826620270       13.0501820762       13.3024371340
  H        15.8530495538       17.5043310074       13.2801854709
      14
 i =      728, E =     -1643.7395984591
 Fe        14.9429939885       15.1729079929       14.3596722547
  O        15.0588574993       16.9385423649       13.2988573733
  H        14.2689347886       17.4961168868       13.1717447998
  O        14.9443699130       13.1946868985       13.4210403651
  H        15.2832405296       12.4086432617       13.8905407605
  O        17.0523207756       15.1758728634       13.8846767849
  H        17.4967590069       14.6246570442       13.2141977859
  O        13.1669042224       15.0604884827       14.2305702773
  H        12.4307309368       15.1631578211       14.8568181852
  O        15.5278369435       15.1771627295       16.0869739049
  H        15.0158112263       15.2713184129       16.9094319064
  H        17.5352789207       15.0611554837       14.7269343035
  H        13.9826624739       13.0501834464       13.3024368928
  H        15.8530528065       17.5043275605       13.2801865466
      14
 i =      729, E =     -1643.7395984494
 Fe        14.9429937109       15.1729079879       14.3596722831
  O        15.0588578693       16.9385424078       13.2988575340
  H        14.2689378268       17.4961218740       13.1717506428
  O        14.9443699151       13.1946870333       13.4210403953
  H        15.2832392479       12.4086433355       13.8905418099
  O        17.0523207035       15.1758728801       13.8846768190
  H        17.4967576604       14.6246547112       13.2141989776
  O        13.1669048799       15.0604884015       14.2305691859
  H        12.4307079611       15.1631644068       14.8567884291
  O        15.5278366210       15.1771627045       16.0869746801
  H        15.0158033682       15.2713119553       16.9094282977
  H        17.5352787284       15.0611557449       14.7269346140
  H        13.9826624193       13.0501847264       13.3024365950
  H        15.8530559310       17.5043240488       13.2801876158
      14
 i =      730, E =     -1643.7395982827
 Fe        14.9429935114       15.1729079424       14.3596723329
  O        15.0588584302       16.9385425271       13.2988576549
  H        14.2689407574       17.4961268146       13.1717563970
  O        14.9443702247       13.1946869373       13.4210405827
  H        15.2832378745       12.4086436138       13.8905427268
  O        17.0523206697       15.1758730478       13.8846773353
  H        17.4967564402       14.6246522439       13.2141999446
  O        13.1669049237       15.0604884319       14.2305686411
  H        12.4306858327       15.1631708026       14.8567585695
  O        15.5278366174       15.1771626070       16.0869748496
  H        15.0157952830       15.2713056446       16.9094252189
  H        17.5352784208       15.0611560221       14.7269346828
  H        13.9826621884       13.0501859992       13.3024362730
  H        15.8530589047       17.5043205155       13.2801886734
      14
 i =      731, E =     -1643.7395983615
 Fe        14.9429931616       15.1729079098       14.3596721715
  O        15.0588587267       16.9385425956       13.2988576698
  H        14.2689436017       17.4961314853       13.1717618862
  O        14.9443702792       13.1946869908       13.4210406160
  H        15.2832366241       12.4086437439       13.8905436958
  O        17.0523206774       15.1758731056       13.8846774094
  H        17.4967551778       14.6246499974       13.2142010161
  O        13.1669057731       15.0604882727       14.2305684447
  H        12.4306643178       15.1631770150       14.8567301080
  O        15.5278366331       15.1771626716       16.0869752573
  H        15.0157876128       15.2712995565       16.9094220849
  H        17.5352782154       15.0611562704       14.7269349080
  H        13.9826620999       13.0501872343       13.3024359809
  H        15.8530618073       17.5043171936       13.2801896834
      14
 i =      732, E =     -1643.7395984208
 Fe        14.9429929834       15.1729079096       14.3596724685
  O        15.0588591511       16.9385426320       13.2988578338
  H        14.2689463046       17.4961359997       13.1717671425
  O        14.9443700837       13.1946872940       13.4210405244
  H        15.2832354965       12.4086436548       13.8905447502
  O        17.0523206563       15.1758729553       13.8846770658
  H        17.4967538152       14.6246480251       13.2142022598
  O        13.1669068523       15.0604881764       14.2305666745
  H        12.4306430381       15.1631830366       14.8567035954
  O        15.5278359955       15.1771626403       16.0869762070
  H        15.0157806772       15.2712936845       16.9094185410
  H        17.5352781317       15.0611564752       14.7269353180
  H        13.9826621343       13.0501884299       13.3024357113
  H        15.8530646036       17.5043140159       13.2801906464
      14
 i =      733, E =     -1643.7395984053
 Fe        14.9429925729       15.1729078623       14.3596717761
  O        15.0588594254       16.9385426473       13.2988578392
  H        14.2689492722       17.4961408744       13.1717728501
  O        14.9443701485       13.1946873950       13.4210405652
  H        15.2832342016       12.4086437244       13.8905457953
  O        17.0523206471       15.1758730022       13.8846771102
  H        17.4967524338       14.6246457349       13.2142034551
  O        13.1669082704       15.0604879318       14.2305663791
  H        12.4306201494       15.1631896155       14.8566741521
  O        15.5278359262       15.1771627734       16.0869770499
  H        15.0157728585       15.2712872819       16.9094150199
  H        17.5352779638       15.0611567277       14.7269355973
  H        13.9826620646       13.0501897202       13.3024353972
  H        15.8530676314       17.5043105648       13.2801916905
      14
 i =      734, E =     -1643.7395985048
 Fe        14.9429929657       15.1729078655       14.3596737394
  O        15.0588600523       16.9385428748       13.2988580102
  H        14.2689523010       17.4961459187       13.1717787229
  O        14.9443704526       13.1946872145       13.4210407676
  H        15.2832327711       12.4086440660       13.8905467312
  O        17.0523205847       15.1758732237       13.8846778676
  H        17.4967512348       14.6246430899       13.2142043766
  O        13.1669071895       15.0604881182       14.2305660029
  H        12.4305977979       15.1631961677       14.8566428132
  O        15.5278360967       15.1771625388       16.0869765609
  H        15.0157641812       15.2712808107       16.9094122663
  H        17.5352775809       15.0611570369       14.7269355758
  H        13.9826618303       13.0501910378       13.3024350651
  H        15.8530706752       17.5043069198       13.2801927765
      14
 i =      735, E =     -1643.7395984220
 Fe        14.9429922384       15.1729078322       14.3596715543
  O        15.0588600579       16.9385427472       13.2988576562
  H        14.2689552135       17.4961509446       13.1717846167
  O        14.9443706709       13.1946871645       13.4210406471
  H        15.2832314073       12.4086442111       13.8905478241
  O        17.0523206990       15.1758735257       13.8846778027
  H        17.4967499382       14.6246404842       13.2142052917
  O        13.1669081177       15.0604877139       14.2305675268
  H        12.4305753156       15.1632028999       14.8566112596
  O        15.5278357534       15.1771629840       16.0869775870
  H        15.0157562840       15.2712740953       16.9094081000
  H        17.5352773384       15.0611573046       14.7269359061
  H        13.9826615833       13.0501923957       13.3024347470
  H        15.8530739612       17.5043034669       13.2801938768
      14
 i =      736, E =     -1643.7395987928
 Fe        14.9429918446       15.1729077683       14.3596741369
  O        15.0588608323       16.9385429025       13.2988578736
  H        14.2689580812       17.4961559431       13.1717903418
  O        14.9443702597       13.1946875547       13.4210404948
  H        15.2832301770       12.4086440744       13.8905490379
  O        17.0523207413       15.1758732247       13.8846772488
  H        17.4967483581       14.6246383673       13.2142067712
  O        13.1669106574       15.0604874615       14.2305645121
  H        12.4305507606       15.1632097574       14.8565826586
  O        15.5278353221       15.1771628740       16.0869780854
  H        15.0157483292       15.2712676146       16.9094044518
  H        17.5352772567       15.0611575340       14.7269363989
  H        13.9826617386       13.0501937447       13.3024344764
  H        15.8530768426       17.5042998478       13.2801949424
      14
 i =      737, E =     -1643.7395984389
 Fe        14.9429918899       15.1729078256       14.3596702332
  O        15.0588610087       16.9385429588       13.2988579669
  H        14.2689610546       17.4961606309       13.1717958898
  O        14.9443704590       13.1946875093       13.4210406547
  H        15.2832288438       12.4086442974       13.8905499919
  O        17.0523206737       15.1758733718       13.8846776609
  H        17.4967471192       14.6246359411       13.2142077773
  O        13.1669107671       15.0604874328       14.2305644909
  H        12.4305289844       15.1632161372       14.8565530286
  O        15.5278355372       15.1771628526       16.0869785674
  H        15.0157402999       15.2712613649       16.9094014265
  H        17.5352770073       15.0611578119       14.7269365229
  H        13.9826616013       13.0501950188       13.3024341748
  H        15.8530798258       17.5042964969       13.2801959657
      14
 i =      738, E =     -1643.7395983476
 Fe        14.9429916886       15.1729077122       14.3596715088
  O        15.0588616193       16.9385431464       13.2988582440
  H        14.2689637092       17.4961651042       13.1718010412
  O        14.9443705751       13.1946875887       13.4210407192
  H        15.2832276308       12.4086444077       13.8905509514
  O        17.0523206705       15.1758732908       13.8846777997
  H        17.4967458580       14.6246338055       13.2142088628
  O        13.1669105516       15.0604875737       14.2305627894
  H        12.4305082398       15.1632221374       14.8565258872
  O        15.5278347644       15.1771626668       16.0869790110
  H        15.0157332224       15.2712554823       16.9093978590
  H        17.5352767662       15.0611580477       14.7269367104
  H        13.9826614193       13.0501962073       13.3024338803
  H        15.8530825677       17.5042933092       13.2801969326
      14
 i =      739, E =     -1643.7395984777
 Fe        14.9429909739       15.1729077076       14.3596740921
  O        15.0588618080       16.9385431914       13.2988581629
  H        14.2689665386       17.4961697214       13.1718064392
  O        14.9443706061       13.1946876675       13.4210407030
  H        15.2832263930       12.4086444829       13.8905519862
  O        17.0523206638       15.1758733515       13.8846777246
  H        17.4967445432       14.6246315499       13.2142100095
  O        13.1669121179       15.0604873283       14.2305626793
  H        12.4304863040       15.1632284921       14.8564973871
  O        15.5278347600       15.1771628214       16.0869794918
  H        15.0157255784       15.2712493190       16.9093945219
  H        17.5352765967       15.0611582978       14.7269370284
  H        13.9826613331       13.0501974526       13.3024335782
  H        15.8530854719       17.5042900377       13.2801979326
      14
 i =      740, E =     -1643.7395985839
 Fe        14.9429912592       15.1729077583       14.3596700564
  O        15.0588623069       16.9385431991       13.2988584390
  H        14.2689693705       17.4961744509       13.1718118991
  O        14.9443705166       13.1946877948       13.4210407700
  H        15.2832251075       12.4086445690       13.8905530295
  O        17.0523205779       15.1758733756       13.8846779270
  H        17.4967432276       14.6246292106       13.2142111117
  O        13.1669120952       15.0604873827       14.2305615424
  H        12.4304643112       15.1632348852       14.8564682480
  O        15.5278346614       15.1771626558       16.0869800598
  H        15.0157176622       15.2712430976       16.9093913420
  H        17.5352764021       15.0611585519       14.7269372485
  H        13.9826613401       13.0501987607       13.3024332982
  H        15.8530884076       17.5042866943       13.2801989503
      14
 i =      741, E =     -1643.7395984972
 Fe        14.9429905306       15.1729075844       14.3596719673
  O        15.0588624047       16.9385433048       13.2988583963
  H        14.2689722939       17.4961790659       13.1718173650
  O        14.9443704181       13.1946878819       13.4210407388
  H        15.2832238407       12.4086446455       13.8905541125
  O        17.0523205862       15.1758734053       13.8846777830
  H        17.4967418720       14.6246269325       13.2142122870
  O        13.1669133937       15.0604871922       14.2305616187
  H        12.4304421514       15.1632413413       14.8564389914
  O        15.5278347803       15.1771627334       16.0869800622
  H        15.0157095864       15.2712368464       16.9093882061
  H        17.5352762654       15.0611588011       14.7269376544
  H        13.9826613925       13.0502000741       13.3024330281
  H        15.8530914214       17.5042834158       13.2801999595
      14
 i =      742, E =     -1643.7395986469
 Fe        14.9429908222       15.1729077044       14.3596731468
  O        15.0588633451       16.9385434523       13.2988586233
  H        14.2689747175       17.4961835184       13.1718223320
  O        14.9443709330       13.1946878508       13.4210409322
  H        15.2832225952       12.4086448821       13.8905549726
  O        17.0523206094       15.1758734491       13.8846782422
  H        17.4967407073       14.6246247164       13.2142132397
  O        13.1669135709       15.0604872140       14.2305599538
  H        12.4304215867       15.1632472772       14.8564125548
  O        15.5278339090       15.1771626734       16.0869811152
  H        15.0157028550       15.2712310399       16.9093843989
  H        17.5352759346       15.0611590656       14.7269376610
  H        13.9826609268       13.0502011888       13.3024327015
  H        15.8530938963       17.5042801884       13.2802009017
      14
 i =      743, E =     -1643.7395984353
 Fe        14.9429899474       15.1729076154       14.3596709741
  O        15.0588635144       16.9385434665       13.2988585487
  H        14.2689775683       17.4961881867       13.1718277640
  O        14.9443710608       13.1946878790       13.4210409738
  H        15.2832213070       12.4086450197       13.8905559960
  O        17.0523206166       15.1758735521       13.8846783070
  H        17.4967393856       14.6246223529       13.2142143525
  O        13.1669149403       15.0604869573       14.2305601998
  H        12.4303994109       15.1632537594       14.8563833207
  O        15.5278339453       15.1771628599       16.0869819964
  H        15.0156950971       15.2712247449       16.9093809081
  H        17.5352757231       15.0611593326       14.7269379023
  H        13.9826607381       13.0502024567       13.3024323796
  H        15.8530968102       17.5042768658       13.2802019205
      14
 i =      744, E =     -1643.7395986942
 Fe        14.9429905309       15.1729076090       14.3596718722
  O        15.0588636286       16.9385435486       13.2988587795
  H        14.2689803231       17.4961924039       13.1718327700
  O        14.9443703866       13.1946882092       13.4210407539
  H        15.2832202258       12.4086448511       13.8905571439
  O        17.0523205195       15.1758734181       13.8846779722
  H        17.4967380602       14.6246203219       13.2142155452
  O        13.1669146131       15.0604870878       14.2305586299
  H        12.4303790753       15.1632596860       14.8563564128
  O        15.5278338810       15.1771625580       16.0869814340
  H        15.0156874649       15.2712190439       16.9093783239
  H        17.5352756649       15.0611595353       14.7269383894
  H        13.9826611253       13.0502037288       13.3024321751
  H        15.8530997217       17.5042739389       13.2802028563
      14
 i =      745, E =     -1643.7395984538
 Fe        14.9429892256       15.1729075308       14.3596730860
  O        15.0588636797       16.9385435491       13.2988586656
  H        14.2689832056       17.4961969454       13.1718381420
  O        14.9443704037       13.1946882587       13.4210407560
  H        15.2832189409       12.4086449403       13.8905582162
  O        17.0523205300       15.1758735385       13.8846778982
  H        17.4967367261       14.6246179996       13.2142166688
  O        13.1669163061       15.0604868110       14.2305590564
  H        12.4303570565       15.1632661411       14.8563272442
  O        15.5278340447       15.1771627595       16.0869819439
  H        15.0156795451       15.2712127901       16.9093750341
  H        17.5352755439       15.0611597852       14.7269387910
  H        13.9826611649       13.0502050492       13.3024319076
  H        15.8531027114       17.5042707329       13.2802038445
      14
 i =      746, E =     -1643.7395984818
 Fe        14.9429901497       15.1729076245       14.3596711675
  O        15.0588651174       16.9385437089       13.2988589817
  H        14.2689854012       17.4962014851       13.1718429988
  O        14.9443713501       13.1946880260       13.4210411679
  H        15.2832175967       12.4086454103       13.8905589382
  O        17.0523205888       15.1758736482       13.8846787840
  H        17.4967356363       14.6246156722       13.2142175002
  O        13.1669161778       15.0604868662       14.2305572748
  H        12.4303365693       15.1632720771       14.8563008626
  O        15.5278331047       15.1771626730       16.0869832622
  H        15.0156728763       15.2712069897       16.9093711432
  H        17.5352750815       15.0611600869       14.7269385603
  H        13.9826604074       13.0502061191       13.3024315516
  H        15.8531049382       17.5042673768       13.2802047854
      14
 i =      747, E =     -1643.7395984778
 Fe        14.9429890523       15.1729074964       14.3596737361
  O        15.0588651235       16.9385437630       13.2988587879
  H        14.2689878777       17.4962055137       13.1718476996
  O        14.9443714481       13.1946880213       13.4210411525
  H        15.2832164711       12.4086455560       13.8905598475
  O        17.0523206373       15.1758737383       13.8846787451
  H        17.4967344773       14.6246135968       13.2142184864
  O        13.1669177254       15.0604865583       14.2305579668
  H        12.4303171737       15.1632777834       14.8562751948
  O        15.5278332443       15.1771629107       16.0869837220
  H        15.0156659814       15.2712014741       16.9093681254
  H        17.5352748851       15.0611603292       14.7269387938
  H        13.9826602152       13.0502072264       13.3024312723
  H        15.8531074794       17.5042644987       13.2802056767
      14
 i =      748, E =     -1643.7395984442
 Fe        14.9429894991       15.1729075796       14.3596707510
  O        15.0588648017       16.9385437588       13.2988590420
  H        14.2689907897       17.4962095153       13.1718526241
  O        14.9443703096       13.1946886207       13.4210407684
  H        15.2832154871       12.4086451372       13.8905611359
  O        17.0523204765       15.1758735211       13.8846780732
  H        17.4967330671       14.6246116749       13.2142198001
  O        13.1669175619       15.0604866647       14.2305563076
  H        12.4302969347       15.1632836862       14.8562486164
  O        15.5278332959       15.1771626128       16.0869836068
  H        15.0156584142       15.2711958278       16.9093656163
  H        17.5352749650       15.0611605009       14.7269394569
  H        13.9826609211       13.0502085403       13.3024311069
  H        15.8531104990       17.5042617530       13.2802065871
      14
 i =      749, E =     -1643.7395984845
 Fe        14.9429884889       15.1729073958       14.3596704140
  O        15.0588648887       16.9385437901       13.2988589414
  H        14.2689935709       17.4962138874       13.1718577896
  O        14.9443703365       13.1946886583       13.4210407830
  H        15.2832142364       12.4086452103       13.8905622039
  O        17.0523204824       15.1758736542       13.8846780120
  H        17.4967317577       14.6246094018       13.2142208942
  O        13.1669191894       15.0604863912       14.2305569059
  H        12.4302755015       15.1632899957       14.8562201373
  O        15.5278334813       15.1771628064       16.0869838582
  H        15.0156505937       15.2711897394       16.9093624545
  H        17.5352748505       15.0611607439       14.7269398936
  H        13.9826609944       13.0502098395       13.3024308519
  H        15.8531133920       17.5042586544       13.2802075374
      14
 i =      750, E =     -1643.7395985874
 Fe        14.9429893386       15.1729075196       14.3596712429
  O        15.0588667987       16.9385440548       13.2988592347
  H        14.2689955139       17.4962184740       13.1718624980
  O        14.9443717959       13.1946881253       13.4210413707
  H        15.2832128007       12.4086459652       13.8905627615
  O        17.0523206156       15.1758738326       13.8846792625
  H        17.4967307795       14.6246069792       13.2142215886
  O        13.1669188148       15.0604864945       14.2305549601
  H        12.4302553325       15.1632958714       14.8561940539
  O        15.5278323373       15.1771626917       16.0869847553
  H        15.0156440125       15.2711840028       16.9093584745
  H        17.5352742334       15.0611610853       14.7269394537
  H        13.9826598818       13.0502108351       13.3024304651
  H        15.8531153724       17.5042552100       13.2802084679
      14
 i =      751, E =     -1643.7395985710
 Fe        14.9429879504       15.1729074101       14.3596733237
  O        15.0588666350       16.9385440818       13.2988590053
  H        14.2689983351       17.4962229490       13.1718677406
  O        14.9443717926       13.1946881717       13.4210412848
  H        15.2832115448       12.4086460992       13.8905638214
  O        17.0523206763       15.1758739015       13.8846791355
  H        17.4967294635       14.6246046396       13.2142227284
  O        13.1669204525       15.0604861681       14.2305555729
  H        12.4302335103       15.1633023207       14.8561651052
  O        15.5278324225       15.1771629499       16.0869853636
  H        15.0156362823       15.2711777717       16.9093549465
  H        17.5352740131       15.0611613591       14.7269397200
  H        13.9826596948       13.0502120885       13.3024301586
  H        15.8531182915       17.5042520480       13.2802094715
      14
 i =      752, E =     -1643.7395986099
 Fe        14.9429887579       15.1729074757       14.3596708363
  O        15.0588663113       16.9385440752       13.2988591888
  H        14.2690012974       17.4962270404       13.1718727227
  O        14.9443706122       13.1946888179       13.4210408898
  H        15.2832105350       12.4086456755       13.8905651435
  O        17.0523205039       15.1758736791       13.8846784366
  H        17.4967280068       14.6246026755       13.2142241343
  O        13.1669208475       15.0604861294       14.2305541394
  H        12.4302124168       15.1633084488       14.8561380296
  O        15.5278326722       15.1771627522       16.0869853088
  H        15.0156284832       15.2711719723       16.9093524346
  H        17.5352740776       15.0611615430       14.7269403436
  H        13.9826604070       13.0502134013       13.3024299806
  H        15.8531212617       17.5042492039       13.2802103969
      14
 i =      753, E =     -1643.7395984880
 Fe        14.9429878600       15.1729073593       14.3596733469
  O        15.0588663440       16.9385440859       13.2988591246
  H        14.2690035383       17.4962304953       13.1718767936
  O        14.9443705220       13.1946889090       13.4210408818
  H        15.2832095441       12.4086456989       13.8905660168
  O        17.0523204728       15.1758737514       13.8846783362
  H        17.4967269376       14.6246008846       13.2142250688
  O        13.1669221872       15.0604858825       14.2305545469
  H        12.4301951372       15.1633135299       14.8561153878
  O        15.5278329195       15.1771629030       16.0869855877
  H        15.0156221854       15.2711671150       16.9093500149
  H        17.5352740088       15.0611617359       14.7269406918
  H        13.9826605393       13.0502144265       13.3024297819
  H        15.8531235171       17.5042467486       13.2802111439
      14
 i =      754, E =     -1643.7395985157
 Fe        14.9429882952       15.1729074439       14.3596707154
  O        15.0588679654       16.9385442319       13.2988594388
  H        14.2690056601       17.4962350467       13.1718815629
  O        14.9443718058       13.1946884713       13.4210414804
  H        15.2832080709       12.4086463950       13.8905666229
  O        17.0523205324       15.1758739204       13.8846794709
  H        17.4967258796       14.6245984583       13.2142258664
  O        13.1669218372       15.0604859694       14.2305530233
  H        12.4301745846       15.1633195420       14.8560885639
  O        15.5278321775       15.1771628037       16.0869867684
  H        15.0156152484       15.2711612775       16.9093463687
  H        17.5352734958       15.0611620636       14.7269403210
  H        13.9826596187       13.0502154779       13.3024294110
  H        15.8531256019       17.5042433564       13.2802120712
      14
 i =      755, E =     -1643.7395985631
 Fe        14.9429874591       15.1729073101       14.3596702622
  O        15.0588679675       16.9385443250       13.2988592997
  H        14.2690084561       17.4962394920       13.1718867221
  O        14.9443718305       13.1946885136       13.4210414562
  H        15.2832067818       12.4086465726       13.8905676595
  O        17.0523205643       15.1758739582       13.8846794301
  H        17.4967245548       14.6245961298       13.2142270414
  O        13.1669231187       15.0604857021       14.2305533526
  H        12.4301526507       15.1633260110       14.8560597021
  O        15.5278322778       15.1771629695       16.0869871453
  H        15.0156073544       15.2711550789       16.9093431003
  H        17.5352732713       15.0611623420       14.7269405394
  H        13.9826594414       13.0502167101       13.3024291038
  H        15.8531284032       17.5042401706       13.2802130591
      14
 i =      756, E =     -1643.7395984447
 Fe        14.9429878178       15.1729073464       14.3596716242
  O        15.0588675271       16.9385443510       13.2988594818
  H        14.2690115551       17.4962436747       13.1718918536
  O        14.9443704544       13.1946892829       13.4210409068
  H        15.2832057649       12.4086460092       13.8905691337
  O        17.0523203596       15.1758737054       13.8846785053
  H        17.4967230213       14.6245940974       13.2142285180
  O        13.1669233212       15.0604857670       14.2305514286
  H        12.4301307159       15.1633324035       14.8560315067
  O        15.5278319955       15.1771627173       16.0869869060
  H        15.0155993884       15.2711490059       16.9093401044
  H        17.5352734022       15.0611625167       14.7269413583
  H        13.9826602785       13.0502181041       13.3024289320
  H        15.8531316038       17.5042373318       13.2802140101
      14
 i =      757, E =     -1643.7395985809
 Fe        14.9429866817       15.1729072517       14.3596735140
  O        15.0588676141       16.9385443086       13.2988593824
  H        14.2690141725       17.4962477527       13.1718966218
  O        14.9443705353       13.1946893189       13.4210409637
  H        15.2832045510       12.4086460901       13.8905701396
  O        17.0523203429       15.1758738597       13.8846785243
  H        17.4967217756       14.6245919165       13.2142295774
  O        13.1669250167       15.0604854677       14.2305520114
  H        12.4301102334       15.1633384488       14.8560045852
  O        15.5278322522       15.1771629468       16.0869874944
  H        15.0155919947       15.2711432198       16.9093371077
  H        17.5352733097       15.0611627543       14.7269417238
  H        13.9826603565       13.0502193219       13.3024286861
  H        15.8531342584       17.5042344532       13.2802148846
      14
 i =      758, E =     -1643.7395984997
 Fe        14.9429873167       15.1729073559       14.3596707728
  O        15.0588691149       16.9385443934       13.2988596404
  H        14.2690158403       17.4962516319       13.1719005973
  O        14.9443718310       13.1946888457       13.4210415293
  H        15.2832032743       12.4086467555       13.8905706248
  O        17.0523204273       15.1758740739       13.8846796246
  H        17.4967209174       14.6245897792       13.2142301540
  O        13.1669245118       15.0604855621       14.2305511032
  H        12.4300931076       15.1633435270       14.8559815884
  O        15.5278315077       15.1771629087       16.0869887519
  H        15.0155862212       15.2711382397       16.9093337694
  H        17.5352728328       15.0611630482       14.7269413785
  H        13.9826594275       13.0502202104       13.3024283486
  H        15.8531359996       17.5042315764       13.2802156695
      14
 i =      759, E =     -1643.7395985703
 Fe        14.9429865938       15.1729073594       14.3596701855
  O        15.0588694517       16.9385444848       13.2988591510
  H        14.2690180942       17.4962563200       13.1719057077
  O        14.9443726358       13.1946882206       13.4210415386
  H        15.2832018625       12.4086473101       13.8905715739
  O        17.0523208899       15.1758745119       13.8846800620
  H        17.4967197564       14.6245870529       13.2142308142
  O        13.1669257023       15.0604851202       14.2305532703
  H        12.4300718143       15.1633500273       14.8559516917
  O        15.5278310590       15.1771634264       16.0869911449
  H        15.0155789442       15.2711317970       16.9093288916
  H        17.5352723573       15.0611633753       14.7269414187
  H        13.9826586225       13.0502214449       13.3024279388
  H        15.8531387624       17.5042282398       13.2802167294
      14
 i =      760, E =     -1643.7395984675
 Fe        14.9429865806       15.1729071238       14.3596718893
  O        15.0588682771       16.9385445677       13.2988592063
  H        14.2690211512       17.4962595586       13.1719101079
  O        14.9443702959       13.1946895274       13.4210405822
  H        15.2832012572       12.4086462109       13.8905732211
  O        17.0523206173       15.1758740191       13.8846782934
  H        17.4967181888       14.6245856218       13.2142324993
  O        13.1669274553       15.0604849742       14.2305511039
  H        12.4300522170       15.1633556344       14.8559282345
  O        15.5278320214       15.1771630995       16.0869889069
  H        15.0155711245       15.2711267657       16.9093278806
  H        17.5352727661       15.0611634473       14.7269426162
  H        13.9826601445       13.0502227591       13.3024279147
  H        15.8531417340       17.5042260390       13.2802175344
      14
 i =      761, E =     -1643.7395986197
 Fe        14.9429861638       15.1729072213       14.3596730942
  O        15.0588689665       16.9385445886       13.2988590555
  H        14.2690234260       17.4962640602       13.1719150421
  O        14.9443709633       13.1946891934       13.4210407469
  H        15.2832000334       12.4086464637       13.8905742123
  O        17.0523208225       15.1758743971       13.8846787605
  H        17.4967170008       14.6245830781       13.2142333457
  O        13.1669289212       15.0604845821       14.2305523012
  H        12.4300308214       15.1633620370       14.8558996746
  O        15.5278319698       15.1771635126       16.0869901795
  H        15.0155636250       15.2711205702       16.9093239563
  H        17.5352724840       15.0611637822       14.7269428388
  H        13.9826597857       13.0502240080       13.3024276298
  H        15.8531444031       17.5042228271       13.2802184453
      14
 i =      762, E =     -1643.7395984893
 Fe        14.9429865655       15.1729072647       14.3596706702
  O        15.0588706047       16.9385447269       13.2988593226
  H        14.2690259319       17.4962691936       13.1719204756
  O        14.9443725371       13.1946885521       13.4210415172
  H        15.2831982339       12.4086473884       13.8905748947
  O        17.0523208952       15.1758745917       13.8846800651
  H        17.4967157372       14.6245802205       13.2142342877
  O        13.1669286808       15.0604846139       14.2305512634
  H        12.4300070824       15.1633690882       14.8558680814
  O        15.5278314063       15.1771634690       16.0869913453
  H        15.0155553223       15.2711137503       16.9093198336
  H        17.5352718795       15.0611641481       14.7269424081
  H        13.9826587469       13.0502252616       13.3024272093
  H        15.8531467882       17.5042189813       13.2802195267
      14
 i =      763, E =     -1643.7395986646
 Fe        14.9429860376       15.1729071866       14.3596703832
  O        15.0588700998       16.9385448017       13.2988590397
  H        14.2690287038       17.4962734311       13.1719255009
  O        14.9443718646       13.1946889000       13.4210411674
  H        15.2831971367       12.4086472207       13.8905761943
  O        17.0523209759       15.1758745248       13.8846794770
  H        17.4967143085       14.6245779892       13.2142355761
  O        13.1669308405       15.0604840981       14.2305522013
  H        12.4299851207       15.1633756183       14.8558395332
  O        15.5278319256       15.1771637499       16.0869916339
  H        15.0155471813       15.2711075909       16.9093167495
  H        17.5352717816       15.0611644433       14.7269429009
  H        13.9826589960       13.0502265325       13.3024269506
  H        15.8531496484       17.5042159170       13.2802204546
      14
 i =      764, E =     -1643.7395986352
 Fe        14.9429857503       15.1729071389       14.3596713329
  O        15.0588700102       16.9385448325       13.2988592353
  H        14.2690315855       17.4962774543       13.1719303198
  O        14.9443710438       13.1946894488       13.4210408385
  H        15.2831960400       12.4086469069       13.8905775053
  O        17.0523207801       15.1758743388       13.8846789361
  H        17.4967128844       14.6245759195       13.2142369424
  O        13.1669310299       15.0604841960       14.2305501231
  H        12.4299638759       15.1633818635       14.8558122778
  O        15.5278314673       15.1771635234       16.0869915375
  H        15.0155395658       15.2711016763       16.9093135715
  H        17.5352717909       15.0611646221       14.7269435028
  H        13.9826595410       13.0502278249       13.3024267778
  H        15.8531524973       17.5042131318       13.2802213905
      14
 i =      765, E =     -1643.7395986343
 Fe        14.9429855601       15.1729070125       14.3596736419
  O        15.0588703460       16.9385448245       13.2988591676
  H        14.2690343649       17.4962822029       13.1719357628
  O        14.9443712746       13.1946894620       13.4210409615
  H        15.2831946748       12.4086469475       13.8905787182
  O        17.0523208311       15.1758745207       13.8846791011
  H        17.4967113977       14.6245733191       13.2142381754
  O        13.1669331830       15.0604837417       14.2305510059
  H        12.4299396263       15.1633890422       14.8557809788
  O        15.5278316924       15.1771638857       16.0869921810
  H        15.0155309016       15.2710948585       16.9093098307
  H        17.5352716407       15.0611649693       14.7269438230
  H        13.9826595271       13.0502292929       13.3024264856
  H        15.8531554506       17.5042097165       13.2802223191
      14
 i =      766, E =     -1643.7395986498
 Fe        14.9429854001       15.1729072601       14.3596703186
  O        15.0588719809       16.9385448954       13.2988595169
  H        14.2690364549       17.4962867078       13.1719404024
  O        14.9443728626       13.1946888495       13.4210416863
  H        15.2831930801       12.4086478589       13.8905792523
  O        17.0523208167       15.1758747458       13.8846804008
  H        17.4967103738       14.6245707261       13.2142389128
  O        13.1669318264       15.0604840043       14.2305496514
  H        12.4299193639       15.1633951407       14.8557531529
  O        15.5278309168       15.1771637052       16.0869933537
  H        15.0155237771       15.2710889055       16.9093060681
  H        17.5352710711       15.0611652930       14.7269433991
  H        13.9826584006       13.0502303232       13.3024261037
  H        15.8531575049       17.5042063968       13.2802232762
      14
 i =      767, E =     -1643.7395984997
 Fe        14.9429850562       15.1729069564       14.3596716905
  O        15.0588710141       16.9385450174       13.2988596306
  H        14.2690396242       17.4962903904       13.1719451832
  O        14.9443710636       13.1946898624       13.4210409979
  H        15.2831922117       12.4086470944       13.8905808260
  O        17.0523206364       15.1758743097       13.8846791115
  H        17.4967087669       14.6245689134       13.2142405620
  O        13.1669329560       15.0604839788       14.2305474931
  H        12.4298979189       15.1634013780       14.8557266157
  O        15.5278309171       15.1771634453       16.0869926638
  H        15.0155158700       15.2710831214       16.9093035150
  H        17.5352712855       15.0611654634       14.7269443224
  H        13.9826594960       13.0502317054       13.3024259904
  H        15.8531606031       17.5042038357       13.2802241442
      14
 i =      768, E =     -1643.7395986284
 Fe        14.9429845835       15.1729070968       14.3596734747
  O        15.0588715399       16.9385449899       13.2988597080
  H        14.2690420204       17.4962944172       13.1719496910
  O        14.9443715257       13.1946897345       13.4210412416
  H        15.2831909152       12.4086474061       13.8905817042
  O        17.0523205644       15.1758744690       13.8846795029
  H        17.4967076162       14.6245666288       13.2142415209
  O        13.1669335037       15.0604839152       14.2305472753
  H        12.4298779669       15.1634073620       14.8556999394
  O        15.5278306590       15.1771635109       16.0869933454
  H        15.0155087248       15.2710773819       16.9093001911
  H        17.5352710575       15.0611657293       14.7269444718
  H        13.9826592595       13.0502328400       13.3024257211
  H        15.8531630123       17.5042009637       13.2802250129
      14
 i =      769, E =     -1643.7395986528
 Fe        14.9429847978       15.1729070827       14.3596706167
  O        15.0588727359       16.9385450599       13.2988599760
  H        14.2690440105       17.4962984224       13.1719539079
  O        14.9443724342       13.1946894474       13.4210417024
  H        15.2831895901       12.4086479632       13.8905823675
  O        17.0523205664       15.1758745801       13.8846803190
  H        17.4967065809       14.6245643796       13.2142423460
  O        13.1669330524       15.0604840430       14.2305461168
  H        12.4298591868       15.1634129667       14.8556748286
  O        15.5278301812       15.1771633748       16.0869941712
  H        15.0155020419       15.2710719823       16.9092970398
  H        17.5352706509       15.0611660264       14.7269442722
  H        13.9826585709       13.0502338423       13.3024254057
  H        15.8531649990       17.5041980115       13.2802258483
      14
 i =      770, E =     -1643.7395986806
 Fe        14.9429822103       15.1729066408       14.3596785711
  O        15.0588735248       16.9385457223       13.2988605396
  H        14.2690569060       17.4963182701       13.1719768090
  O        14.9443715957       13.1946903519       13.4210414419
  H        15.2831837368       12.4086483300       13.8905876423
  O        17.0523203663       15.1758741497       13.8846798631
  H        17.4967001531       14.6245534978       13.2142482342
  O        13.1669342273       15.0604843417       14.2305393251
  H        12.4297572642       15.1634432364       14.8555412559
  O        15.5278283899       15.1771625997       16.0869944781
  H        15.0154650390       15.2710432031       16.9092815229
  H        17.5352697307       15.0611673101       14.7269456792
  H        13.9826583142       13.0502397259       13.3024241589
  H        15.8531780457       17.5041838541       13.2802303171
      14
 i =      771, E =     -1643.7395986458
 Fe        14.9429824562       15.1729070080       14.3596691699
  O        15.0588742761       16.9385451997       13.2988600778
  H        14.2690587841       17.4963227106       13.1719815076
  O        14.9443727750       13.1946897640       13.4210418932
  H        15.2831822190       12.4086488577       13.8905884807
  O        17.0523205232       15.1758750178       13.8846808081
  H        17.4966990217       14.6245506972       13.2142487840
  O        13.1669380110       15.0604832555       14.2305451871
  H        12.4297363710       15.1634497190       14.8555117709
  O        15.5278291377       15.1771638806       16.0869984694
  H        15.0154579353       15.2710368340       16.9092769021
  H        17.5352694566       15.0611676283       14.7269456266
  H        13.9826576647       13.0502410646       13.3024237710
  H        15.8531803393       17.5041807224       13.2802311762
      14
 i =      772, E =     -1643.7395986128
 Fe        14.9429839031       15.1729068100       14.3596738692
  O        15.0588745736       16.9385455688       13.2988601796
  H        14.2690609743       17.4963259573       13.1719852534
  O        14.9443719381       13.1946902532       13.4210415148
  H        15.2831813954       12.4086486061       13.8905895773
  O        17.0523205004       15.1758746433       13.8846801713
  H        17.4966977767       14.6245490997       13.2142500858
  O        13.1669383890       15.0604832785       14.2305421935
  H        12.4297184559       15.1634549052       14.8554903068
  O        15.5278292377       15.1771634435       16.0869965563
  H        15.0154510693       15.2710321578       16.9092753345
  H        17.5352693890       15.0611678276       14.7269460840
  H        13.9826580729       13.0502420490       13.3024236361
  H        15.8531823648       17.5041782786       13.2802319281
      14
 i =      773, E =     -1643.7395986339
 Fe        14.9429824428       15.1729069305       14.3596707220
  O        15.0588749180       16.9385456203       13.2988601331
  H        14.2690633425       17.4963298039       13.1719895860
  O        14.9443723684       13.1946900868       13.4210416797
  H        15.2831801372       12.4086489469       13.8905904460
  O        17.0523205424       15.1758747574       13.8846805413
  H        17.4966966351       14.6245468293       13.2142510591
  O        13.1669389710       15.0604831489       14.2305419350
  H        12.4296988225       15.1634608503       14.8554641441
  O        15.5278290706       15.1771635423       16.0869973198
  H        15.0154440007       15.2710265116       16.9092721310
  H        17.5352691116       15.0611681290       14.7269461360
  H        13.9826577679       13.0502431421       13.3024233732
  H        15.8531846548       17.5041754675       13.2802327953
      14
 i =      774, E =     -1643.7395987343
 Fe        14.9429829318       15.1729068032       14.3596722531
  O        15.0588749141       16.9385455234       13.2988603440
  H        14.2690662588       17.4963342688       13.1719946432
  O        14.9443716794       13.1946905642       13.4210414080
  H        15.2831789093       12.4086487685       13.8905918247
  O        17.0523203264       15.1758746674       13.8846800859
  H        17.4966951556       14.6245443458       13.2142524523
  O        13.1669391450       15.0604832397       14.2305397575
  H        12.4296754625       15.1634678164       14.8554339037
  O        15.5278282189       15.1771633784       16.0869978257
  H        15.0154358898       15.2710198853       16.9092680223
  H        17.5352690640       15.0611684008       14.7269467640
  H        13.9826581299       13.0502445140       13.3024231569
  H        15.8531878085       17.5041724584       13.2802337797
      14
 i =      775, E =     -1643.7395986433
 Fe        14.9429817076       15.1729068163       14.3596715173
  O        15.0588753063       16.9385454367       13.2988604120
  H        14.2690685741       17.4963381973       13.1719990286
  O        14.9443719755       13.1946905563       13.4210415768
  H        15.2831776353       12.4086489507       13.8905928177
  O        17.0523203085       15.1758748055       13.8846803169
  H        17.4966939220       14.6245420445       13.2142534429
  O        13.1669404430       15.0604830594       14.2305401097
  H        12.4296553073       15.1634739036       14.8554070963
  O        15.5278282188       15.1771635321       16.0869987879
  H        15.0154286175       15.2710140948       16.9092647122
  H        17.5352689093       15.0611686750       14.7269470363
  H        13.9826579893       13.0502457290       13.3024228975
  H        15.8531902462       17.5041696776       13.2802346213
      14
 i =      776, E =     -1643.7395987716
 Fe        14.9429822614       15.1729068633       14.3596733330
  O        15.0588759314       16.9385457880       13.2988605175
  H        14.2690691702       17.4963392873       13.1720001195
  O        14.9443724545       13.1946902765       13.4210417954
  H        15.2831772429       12.4086493457       13.8905928481
  O        17.0523204161       15.1758747473       13.8846807833
  H        17.4966937151       14.6245413846       13.2142536776
  O        13.1669391048       15.0604833222       14.2305383661
  H        12.4296503914       15.1634754001       14.8554003819
  O        15.5278279558       15.1771632006       16.0869979568
  H        15.0154266255       15.2710127023       16.9092641716
  H        17.5352686044       15.0611688059       14.7269467270
  H        13.9826575634       13.0502458833       13.3024227953
  H        15.8531906097       17.5041687162       13.2802348755
      14
 i =      777, E =     -1643.7395986996
 Fe        14.9429817981       15.1729068073       14.3596700793
  O        15.0588762758       16.9385457591       13.2988605364
  H        14.2690714765       17.4963431654       13.1720044511
  O        14.9443727728       13.1946901959       13.4210419894
  H        15.2831759556       12.4086496348       13.8905937697
  O        17.0523204272       15.1758748922       13.8846811190
  H        17.4966925176       14.6245390753       13.2142546445
  O        13.1669400873       15.0604831113       14.2305392058
  H        12.4296306478       15.1634813975       14.8553736426
  O        15.5278280231       15.1771633966       16.0869990714
  H        15.0154194054       15.2710069747       16.9092609167
  H        17.5352683557       15.0611690895       14.7269468227
  H        13.9826572861       13.0502470504       13.3024224986
  H        15.8531929255       17.5041659068       13.2802357344
      14
 i =      778, E =     -1643.7395986789
 Fe        14.9429819158       15.1729067462       14.3596722341
  O        15.0588760003       16.9385457610       13.2988606395
  H        14.2690739034       17.4963465636       13.1720084291
  O        14.9443716977       13.1946908885       13.4210414819
  H        15.2831751322       12.4086491746       13.8905950669
  O        17.0523202999       15.1758746312       13.8846801921
  H        17.4966911945       14.6245372928       13.2142559823
  O        13.1669409075       15.0604830980       14.2305369294
  H        12.4296116947       15.1634870000       14.8553501449
  O        15.5278275053       15.1771632180       16.0869989472
  H        15.0154127813       15.2710017655       16.9092579418
  H        17.5352684515       15.0611692731       14.7269475718
  H        13.9826578615       13.0502481832       13.3024223694
  H        15.8531955214       17.5041636173       13.2802365137
      14
 i =      779, E =     -1643.7395986765
 Fe        14.9429812781       15.1729067628       14.3596721014
  O        15.0588763673       16.9385456967       13.2988606281
  H        14.2690759192       17.4963500102       13.1720122665
  O        14.9443720780       13.1946907780       13.4210416824
  H        15.2831739781       12.4086494119       13.8905959129
  O        17.0523202993       15.1758748277       13.8846805268
  H        17.4966901315       14.6245352152       13.2142568151
  O        13.1669421043       15.0604828743       14.2305377828
  H        12.4295939937       15.1634923755       14.8553263519
  O        15.5278276117       15.1771634281       16.0869999032
  H        15.0154063352       15.2709966440       16.9092550059
  H        17.5352682773       15.0611695223       14.7269477513
  H        13.9826576722       13.0502492505       13.3024221253
  H        15.8531976066       17.5041611452       13.2802372643
      14
 i =      780, E =     -1643.7395987471
 Fe        14.9429818436       15.1729067745       14.3596728752
  O        15.0588772515       16.9385459338       13.2988608262
  H        14.2690779170       17.4963535836       13.1720160974
  O        14.9443726739       13.1946905446       13.4210419861
  H        15.2831727796       12.4086498650       13.8905966188
  O        17.0523203656       15.1758748649       13.8846811879
  H        17.4966891212       14.6245330738       13.2142576650
  O        13.1669414111       15.0604830267       14.2305363243
  H        12.4295762313       15.1634977580       14.8553025552
  O        15.5278272592       15.1771632011       16.0869998615
  H        15.0153997324       15.2709915534       16.9092522758
  H        17.5352678780       15.0611698238       14.7269476072
  H        13.9826571869       13.0502502138       13.3024218561
  H        15.8531995399       17.5041584632       13.2802380424
      14
 i =      781, E =     -1643.7395986777
 Fe        14.9429807358       15.1729067246       14.3596706777
  O        15.0588774722       16.9385459399       13.2988607776
  H        14.2690802449       17.4963573995       13.1720203839
  O        14.9443729157       13.1946904871       13.4210421057
  H        15.2831715175       12.4086501286       13.8905975732
  O        17.0523204012       15.1758749802       13.8846813762
  H        17.4966879022       14.6245307792       13.2142586809
  O        13.1669426265       15.0604827835       14.2305370277
  H        12.4295564076       15.1635037879       14.8552759155
  O        15.5278273948       15.1771633950       16.0870007202
  H        15.0153924199       15.2709858352       16.9092491208
  H        17.5352676445       15.0611701082       14.7269477579
  H        13.9826569354       13.0502513790       13.3024215719
  H        15.8532018825       17.5041556960       13.2802388985
      14
 i =      782, E =     -1643.7395987098
 Fe        14.9429813166       15.1729066915       14.3596708050
  O        15.0588772914       16.9385459661       13.2988609394
  H        14.2690826420       17.4963607607       13.1720243154
  O        14.9443718453       13.1946911583       13.4210416402
  H        15.2831706673       12.4086496790       13.8905988684
  O        17.0523202647       15.1758747036       13.8846805062
  H        17.4966865578       14.6245289956       13.2142600179
  O        13.1669431908       15.0604828113       14.2305346311
  H        12.4295374633       15.1635093957       14.8552524292
  O        15.5278267805       15.1771631850       16.0870008147
  H        15.0153858232       15.2709806204       16.9092460716
  H        17.5352677409       15.0611702898       14.7269484856
  H        13.9826575182       13.0502525376       13.3024214361
  H        15.8532044116       17.5041533972       13.2802396728
      14
 i =      783, E =     -1643.7395987705
 Fe        14.9429802483       15.1729066495       14.3596698456
  O        15.0588775875       16.9385459431       13.2988608922
  H        14.2690849620       17.4963645858       13.1720286099
  O        14.9443721825       13.1946910543       13.4210418032
  H        15.2831693867       12.4086499110       13.8905998598
  O        17.0523202760       15.1758748980       13.8846807761
  H        17.4966853380       14.6245266621       13.2142610011
  O        13.1669445841       15.0604825668       14.2305354413
  H        12.4295174164       15.1635155012       14.8552255636
  O        15.5278268798       15.1771633983       16.0870015467
  H        15.0153784521       15.2709748331       16.9092427831
  H        17.5352675592       15.0611705698       14.7269487481
  H        13.9826573588       13.0502537526       13.3024211715
  H        15.8532068177       17.5041506610       13.2802405133
      14
 i =      784, E =     -1643.7395987363
 Fe        14.9429813493       15.1729066888       14.3596726660
  O        15.0588786521       16.9385462169       13.2988610694
  H        14.2690869795       17.4963683808       13.1720326074
  O        14.9443729048       13.1946907579       13.4210421253
  H        15.2831680977       12.4086504267       13.8906006085
  O        17.0523203570       15.1758749658       13.8846815631
  H        17.4966842908       14.6245243562       13.2142618656
  O        13.1669437527       15.0604827252       14.2305339611
  H        12.4294986228       15.1635212119       14.8552003565
  O        15.5278263966       15.1771631673       16.0870012637
  H        15.0153714439       15.2709694340       16.9092397939
  H        17.5352670889       15.0611708972       14.7269485563
  H        13.9826567697       13.0502547663       13.3024208757
  H        15.8532088039       17.5041478158       13.2802413344
      14
 i =      785, E =     -1643.7395987640
 Fe        14.9429792209       15.1729066354       14.3596701086
  O        15.0588787638       16.9385461970       13.2988610220
  H        14.2690898544       17.4963729307       13.1720377465
  O        14.9443730215       13.1946907839       13.4210421792
  H        15.2831666060       12.4086506657       13.8906018234
  O        17.0523203884       15.1758750489       13.8846816231
  H        17.4966827865       14.6245215990       13.2142631642
  O        13.1669452213       15.0604824703       14.2305342746
  H        12.4294745194       15.1635285527       14.8551682187
  O        15.5278264502       15.1771633560       16.0870023595
  H        15.0153626294       15.2709624951       16.9092358576
  H        17.5352668423       15.0611712345       14.7269488056
  H        13.9826565535       13.0502561900       13.3024205536
  H        15.8532117166       17.5041445611       13.2802423641
      14
 i =      786, E =     -1643.7395986998
 Fe        14.9429808893       15.1729066151       14.3596716813
  O        15.0588786951       16.9385462341       13.2988612072
  H        14.2690920653       17.4963760911       13.1720413921
  O        14.9443720189       13.1946914080       13.4210417622
  H        15.2831657937       12.4086502526       13.8906030447
  O        17.0523202261       15.1758747867       13.8846808404
  H        17.4966815148       14.6245199074       13.2142644297
  O        13.1669454425       15.0604825192       14.2305319050
  H        12.4294566676       15.1635338524       14.8551460896
  O        15.5278258311       15.1771631289       16.0870023591
  H        15.0153563844       15.2709575797       16.9092329893
  H        17.5352669244       15.0611714066       14.7269494794
  H        13.9826570987       13.0502572830       13.3024204211
  H        15.8532140441       17.5041423854       13.2802430880
      14
 i =      787, E =     -1643.7395987079
 Fe        14.9429789979       15.1729065738       14.3596728716
  O        15.0588789240       16.9385461806       13.2988611291
  H        14.2690942609       17.4963796711       13.1720454165
  O        14.9443723828       13.1946912873       13.4210419416
  H        15.2831645597       12.4086504986       13.8906039719
  O        17.0523202459       15.1758750021       13.8846811090
  H        17.4966803584       14.6245176697       13.2142653539
  O        13.1669470673       15.0604822353       14.2305329766
  H        12.4294376955       15.1635396585       14.8551205789
  O        15.5278261073       15.1771633871       16.0870032563
  H        15.0153493491       15.2709520896       16.9092299309
  H        17.5352667610       15.0611716733       14.7269497153
  H        13.9826569253       13.0502584417       13.3024201686
  H        15.8532162908       17.5041398185       13.2802438764
      14
 i =      788, E =     -1643.7395987021
 Fe        14.9429806225       15.1729066561       14.3596713578
  O        15.0588799236       16.9385463453       13.2988613599
  H        14.2690961473       17.4963832192       13.1720491406
  O        14.9443730262       13.1946910773       13.4210422758
  H        15.2831633325       12.4086509456       13.8906046970
  O        17.0523202927       15.1758750551       13.8846818824
  H        17.4966793310       14.6245155001       13.2142661944
  O        13.1669462847       15.0604823550       14.2305316083
  H        12.4294198646       15.1635450822       14.8550968274
  O        15.5278257356       15.1771631870       16.0870035147
  H        15.0153427504       15.2709469815       16.9092271412
  H        17.5352663443       15.0611719789       14.7269495064
  H        13.9826564039       13.0502594191       13.3024198878
  H        15.8532181265       17.5041371520       13.2802446434
      14
 i =      789, E =     -1643.7395987015
 Fe        14.9429787109       15.1729065149       14.3596727576
  O        15.0588799771       16.9385463878       13.2988612515
  H        14.2690984628       17.4963868613       13.1720532680
  O        14.9443731346       13.1946910661       13.4210423122
  H        15.2831621158       12.4086511520       13.8906056945
  O        17.0523203397       15.1758751395       13.8846819001
  H        17.4966780958       14.6245132555       13.2142672593
  O        13.1669477608       15.0604820828       14.2305323361
  H        12.4294002736       15.1635510723       14.8550706553
  O        15.5278259418       15.1771633884       16.0870040810
  H        15.0153354189       15.2709413500       16.9092241034
  H        17.5352661468       15.0611722556       14.7269497384
  H        13.9826562309       13.0502605834       13.3024196259
  H        15.8532204546       17.5041345155       13.2802454738
      14
 i =      790, E =     -1643.7395988072
 Fe        14.9429798822       15.1729066030       14.3596713931
  O        15.0588799273       16.9385463572       13.2988614551
  H        14.2691007054       17.4963900877       13.1720569855
  O        14.9443722546       13.1946916459       13.4210419774
  H        15.2831612215       12.4086507971       13.8906069083
  O        17.0523201858       15.1758749110       13.8846812380
  H        17.4966767879       14.6245114716       13.2142685209
  O        13.1669480995       15.0604821001       14.2305302571
  H        12.4293819455       15.1635565421       14.8550477542
  O        15.5278253850       15.1771632165       16.0870046674
  H        15.0153290182       15.2709362663       16.9092211114
  H        17.5352662217       15.0611724405       14.7269503504
  H        13.9826567144       13.0502617179       13.3024194755
  H        15.8532227785       17.5041322747       13.2802462122
      14
 i =      791, E =     -1643.7395987065
 Fe        14.9429782972       15.1729064652       14.3596726913
  O        15.0588800706       16.9385463358       13.2988613978
  H        14.2691030354       17.4963937601       13.1720611450
  O        14.9443724420       13.1946916216       13.4210420779
  H        15.2831599742       12.4086509592       13.8906079456
  O        17.0523201933       15.1758750675       13.8846813521
  H        17.4966755295       14.6245091793       13.2142695646
  O        13.1669496714       15.0604818405       14.2305310190
  H        12.4293620028       15.1635626415       14.8550211881
  O        15.5278256006       15.1771634202       16.0870053601
  H        15.0153215820       15.2709305339       16.9092179699
  H        17.5352660940       15.0611727121       14.7269506875
  H        13.9826566470       13.0502629429       13.3024192283
  H        15.8532251722       17.5041296445       13.2802470313
      14
 i =      792, E =     -1643.7395988592
 Fe        14.9429798017       15.1729065927       14.3596715135
  O        15.0588812145       16.9385465273       13.2988616249
  H        14.2691047721       17.4963972099       13.1720646988
  O        14.9443732756       13.1946913023       13.4210424834
  H        15.2831587380       12.4086515019       13.8906085900
  O        17.0523202467       15.1758751727       13.8846822998
  H        17.4966745782       14.6245070038       13.2142703050
  O        13.1669487111       15.0604819917       14.2305297225
  H        12.4293448323       15.1635678934       14.8549981181
  O        15.5278251673       15.1771632119       16.0870055236
  H        15.0153151587       15.2709255863       16.9092152702
  H        17.5352656317       15.0611730251       14.7269503931
  H        13.9826559972       13.0502638733       13.3024189402
  H        15.8532268558       17.5041270231       13.2802477720
      14
 i =      793, E =     -1643.7395986814
 Fe        14.9429778940       15.1729064397       14.3596731674
  O        15.0588811937       16.9385465623       13.2988614824
  H        14.2691070350       17.4964007344       13.1720686958
  O        14.9443733456       13.1946913062       13.4210424800
  H        15.2831575528       12.4086516889       13.8906095876
  O        17.0523203047       15.1758752534       13.8846822594
  H        17.4966733564       14.6245047988       13.2142713624
  O        13.1669502476       15.0604817046       14.2305304741
  H        12.4293256307       15.1635737822       14.8549724741
  O        15.5278253604       15.1771634327       16.0870060589
  H        15.0153079615       15.2709200586       16.9092122546
  H        17.5352654447       15.0611732965       14.7269506385
  H        13.9826558356       13.0502650170       13.3024186838
  H        15.8532291454       17.5041244783       13.2802485827
      14
 i =      794, E =     -1643.7395987133
 Fe        14.9429791381       15.1729065435       14.3596707255
  O        15.0588810760       16.9385464929       13.2988616876
  H        14.2691093325       17.4964040152       13.1720724833
  O        14.9443723431       13.1946919504       13.4210420983
  H        15.2831566443       12.4086512770       13.8906108768
  O        17.0523201380       15.1758750048       13.8846815006
  H        17.4966719811       14.6245029721       13.2142726890
  O        13.1669506814       15.0604817017       14.2305284385
  H        12.4293067309       15.1635794360       14.8549488896
  O        15.5278247800       15.1771632784       16.0870068095
  H        15.0153013658       15.2709148104       16.9092091331
  H        17.5352655509       15.0611734828       14.7269513141
  H        13.9826563950       13.0502662018       13.3024185371
  H        15.8532315472       17.5041222137       13.2802493385
      14
 i =      795, E =     -1643.7395986988
 Fe        14.9429774632       15.1729063664       14.3596698213
  O        15.0588812038       16.9385464975       13.2988616081
  H        14.2691116185       17.4964076018       13.1720765462
  O        14.9443725196       13.1946919246       13.4210421722
  H        15.2831554166       12.4086514246       13.8906119226
  O        17.0523201573       15.1758751560       13.8846815779
  H        17.4966707273       14.6245007021       13.2142737321
  O        13.1669522809       15.0604814476       14.2305291115
  H        12.4292869871       15.1635854896       14.8549226568
  O        15.5278249617       15.1771634725       16.0870073111
  H        15.0152939736       15.2709091381       16.9092060112
  H        17.5352654328       15.0611737525       14.7269516803
  H        13.9826563413       13.0502674193       13.3024182979
  H        15.8532339147       17.5041196462       13.2802501423
      14
 i =      796, E =     -1643.7395988110
 Fe        14.9429792411       15.1729064981       14.3596723048
  O        15.0588824880       16.9385467857       13.2988618010
  H        14.2691132871       17.4964110612       13.1720800552
  O        14.9443734971       13.1946914854       13.4210426114
  H        15.2831541447       12.4086520672       13.8906125301
  O        17.0523202427       15.1758752865       13.8846826701
  H        17.4966698175       14.6244984668       13.2142744208
  O        13.1669510573       15.0604816390       14.2305277833
  H        12.4292698885       15.1635907500       14.8548994828
  O        15.5278243952       15.1771632335       16.0870069963
  H        15.0152874805       15.2709041810       16.9092032554
  H        17.5352648902       15.0611740844       14.7269513131
  H        13.9826555847       13.0502683306       13.3024179989
  H        15.8532355300       17.5041169928       13.2802508839
      14
 i =      797, E =     -1643.7395986985
 Fe        14.9429766813       15.1729063733       14.3596711794
  O        15.0588823856       16.9385467689       13.2988616418
  H        14.2691157023       17.4964147629       13.1720842555
  O        14.9443735187       13.1946915285       13.4210425706
  H        15.2831528890       12.4086522389       13.8906136109
  O        17.0523203026       15.1758753610       13.8846825595
  H        17.4966685089       14.6244961181       13.2142755648
  O        13.1669527614       15.0604813387       14.2305283596
  H        12.4292494687       15.1635970303       14.8548722878
  O        15.5278245528       15.1771634758       16.0870077809
  H        15.0152799001       15.2708982893       16.9091999304
  H        17.5352647104       15.0611743702       14.7269515855
  H        13.9826554378       13.0502695528       13.3024177342
  H        15.8532379798       17.5041143490       13.2802517397
      14
 i =      798, E =     -1643.7395986509
 Fe        14.9429784991       15.1729064385       14.3596731920
  O        15.0588822475       16.9385467243       13.2988618827
  H        14.2691176483       17.4964174803       13.1720873971
  O        14.9443724419       13.1946922001       13.4210421560
  H        15.2831521777       12.4086517691       13.8906147809
  O        17.0523201169       15.1758750656       13.8846817415
  H        17.4966673042       14.6244946390       13.2142767608
  O        13.1669528012       15.0604814118       14.2305260653
  H        12.4292334701       15.1636018069       14.8548526128
  O        15.5278238360       15.1771632518       16.0870082174
  H        15.0152743817       15.2708938722       16.9091971920
  H        17.5352648471       15.0611745137       14.7269522671
  H        13.9826560442       13.0502705684       13.3024176312
  H        15.8532400608       17.5041125086       13.2802523684
      14
 i =      799, E =     -1643.7395987633
 Fe        14.9429763498       15.1729063373       14.3596701760
  O        15.0588823750       16.9385466539       13.2988617906
  H        14.2691198937       17.4964210000       13.1720913662
  O        14.9443727309       13.1946921375       13.4210422933
  H        15.2831509281       12.4086519632       13.8906157777
  O        17.0523201292       15.1758752698       13.8846819017
  H        17.4966660774       14.6244923497       13.2142777650
  O        13.1669545719       15.0604811237       14.2305269297
  H        12.4292140128       15.1636078012       14.8548266390
  O        15.5278242277       15.1771634979       16.0870091267
  H        15.0152670790       15.2708882591       16.9091941613
  H        17.5352647372       15.0611747834       14.7269525719
  H        13.9826559351       13.0502717712       13.3024173872
  H        15.8532423488       17.5041099857       13.2802531554
      14
 i =      800, E =     -1643.7395987447
 Fe        14.9429794913       15.1729064308       14.3596733759
  O        15.0588837689       16.9385469694       13.2988619531
  H        14.2691224618       17.4964259065       13.1720964729
  O        14.9443735708       13.1946917988       13.4210426736
  H        15.2831491858       12.4086525698       13.8906168902
  O        17.0523202095       15.1758753990       13.8846829315
  H        17.4966645979       14.6244892173       13.2142789593
  O        13.1669536682       15.0604811956       14.2305257253
  H        12.4291887386       15.1636155797       14.8547927052
  O        15.5278236980       15.1771633163       16.0870088833
  H        15.0152574863       15.2708809637       16.9091901586
  H        17.5352641514       15.0611752237       14.7269523680
  H        13.9826552747       13.0502731918       13.3024169979
  H        15.8532448628       17.5041062660       13.2802542256
      14
 i =      801, E =     -1643.7395987731
 Fe        14.9429751034       15.1729062912       14.3596701248
  O        15.0588836737       16.9385469461       13.2988617955
  H        14.2691247791       17.4964294266       13.1721004754
  O        14.9443736813       13.1946917950       13.4210426718
  H        15.2831479444       12.4086527806       13.8906179039
  O        17.0523202855       15.1758754753       13.8846828657
  H        17.4966633405       14.6244869229       13.2142800459
  O        13.1669555267       15.0604809142       14.2305260912
  H        12.4291690451       15.1636216649       14.8547665662
  O        15.5278238551       15.1771635352       16.0870097403
  H        15.0152501595       15.2708752839       16.9091870130
  H        17.5352639812       15.0611755075       14.7269526020
  H        13.9826550900       13.0502743795       13.3024167511
  H        15.8532471758       17.5041037432       13.2802550405
      14
 i =      802, E =     -1643.7395986390
 Fe        14.9429786026       15.1729063736       14.3596717735
  O        15.0588835860       16.9385469442       13.2988620627
  H        14.2691269144       17.4964324816       13.1721039512
  O        14.9443726283       13.1946924535       13.4210422637
  H        15.2831471107       12.4086523509       13.8906191730
  O        17.0523200763       15.1758751610       13.8846820926
  H        17.4966620157       14.6244852095       13.2142813550
  O        13.1669550849       15.0604810350       14.2305234740
  H        12.4291511695       15.1636270331       14.8547443498
  O        15.5278228906       15.1771632614       16.0870100038
  H        15.0152439588       15.2708703056       16.9091838496
  H        17.5352640602       15.0611756857       14.7269532714
  H        13.9826556365       13.0502754931       13.3024166113
  H        15.8532494734       17.5041016609       13.2802557468
      14
 i =      803, E =     -1643.7395987713
 Fe        14.9429749527       15.1729062099       14.3596726508
  O        15.0588836358       16.9385469005       13.2988619079
  H        14.2691290274       17.4964357573       13.1721076606
  O        14.9443729154       13.1946923545       13.4210423762
  H        15.2831459269       12.4086525527       13.8906201158
  O        17.0523201220       15.1758753748       13.8846821956
  H        17.4966608600       14.6244830264       13.2142823022
  O        13.1669572141       15.0604807134       14.2305246358
  H        12.4291328031       15.1636327255       14.8547197760
  O        15.5278233474       15.1771635518       16.0870107203
  H        15.0152370010       15.2708649920       16.9091809946
  H        17.5352639626       15.0611759461       14.7269535883
  H        13.9826555252       13.0502766388       13.3024163891
  H        15.8532516284       17.5040993191       13.2802564801
      14
 i =      804, E =     -1643.7395987291
 Fe        14.9429781289       15.1729064113       14.3596714163
  O        15.0588848456       16.9385470729       13.2988621770
  H        14.2691306546       17.4964390908       13.1721110147
  O        14.9443737010       13.1946920643       13.4210427951
  H        15.2831446899       12.4086530899       13.8906207716
  O        17.0523201445       15.1758754650       13.8846832335
  H        17.4966599096       14.6244808528       13.2142830418
  O        13.1669558896       15.0604808746       14.2305232702
  H        12.4291159172       15.1636379353       14.8546970827
  O        15.5278228751       15.1771633177       16.0870108865
  H        15.0152306261       15.2708601069       16.9091783037
  H        17.5352634705       15.0611762656       14.7269532254
  H        13.9826548993       13.0502775545       13.3024161010
  H        15.8532531811       17.5040967675       13.2802571950
      14
 i =      805, E =     -1643.7395988361
 Fe        14.9429749409       15.1729061791       14.3596729574
  O        15.0588847424       16.9385471110       13.2988620178
  H        14.2691327901       17.4964423130       13.1721146784
  O        14.9443737473       13.1946920736       13.4210427851
  H        15.2831435502       12.4086532691       13.8906217380
  O        17.0523202142       15.1758755334       13.8846831183
  H        17.4966587236       14.6244787402       13.2142840815
  O        13.1669576962       15.0604805812       14.2305240919
  H        12.4290976728       15.1636435852       14.8546727729
  O        15.5278231908       15.1771635433       16.0870113628
  H        15.0152236767       15.2708548492       16.9091755076
  H        17.5352633194       15.0611765271       14.7269534901
  H        13.9826547679       13.0502786554       13.3024158704
  H        15.8532553066       17.5040944349       13.2802579454
      14
 i =      806, E =     -1643.7395989219
 Fe        14.9429771418       15.1729063434       14.3596709595
  O        15.0588846725       16.9385470533       13.2988622516
  H        14.2691348478       17.4964452443       13.1721180173
  O        14.9443728345       13.1946926765       13.4210424505
  H        15.2831427023       12.4086528968       13.8906229351
  O        17.0523200266       15.1758752777       13.8846824378
  H        17.4966574415       14.6244770435       13.2142853249
  O        13.1669576750       15.0604806324       14.2305219208
  H        12.4290803431       15.1636488127       14.8546511709
  O        15.5278224657       15.1771633570       16.0870121068
  H        15.0152176497       15.2708500087       16.9091725001
  H        17.5352634133       15.0611767040       14.7269540988
  H        13.9826552585       13.0502797409       13.3024157315
  H        15.8532574533       17.5040924096       13.2802586233
      14
 i =      807, E =     -1643.7395987956
 Fe        14.9429746143       15.1729061273       14.3596697447
  O        15.0588847366       16.9385470467       13.2988621524
  H        14.2691370027       17.4964485619       13.1721217629
  O        14.9443730192       13.1946926395       13.4210425312
  H        15.2831415093       12.4086530598       13.8906239416
  O        17.0523200641       15.1758754401       13.8846824942
  H        17.4966562316       14.6244748341       13.2142863367
  O        13.1669595025       15.0604803630       14.2305228203
  H        12.4290615023       15.1636546463       14.8546260812
  O        15.5278228168       15.1771635767       16.0870126607
  H        15.0152104822       15.2708445744       16.9091695620
  H        17.5352633122       15.0611769694       14.7269544526
  H        13.9826551946       13.0502809089       13.3024155055
  H        15.8532596602       17.5040900311       13.2802593743
      14
 i =      808, E =     -1643.7395988737
 Fe        14.9429772448       15.1729062980       14.3596723632
  O        15.0588859586       16.9385473007       13.2988623458
  H        14.2691385624       17.4964518153       13.1721250143
  O        14.9443738363       13.1946922869       13.4210429076
  H        15.2831402893       12.4086536256       13.8906245822
  O        17.0523201089       15.1758755446       13.8846835089
  H        17.4966553262       14.6244726672       13.2142870340
  O        13.1669581699       15.0604805465       14.2305213997
  H        12.4290449785       15.1636597686       14.8546038014
  O        15.5278221874       15.1771633299       16.0870123211
  H        15.0152041773       15.2708397778       16.9091668697
  H        17.5352628015       15.0611772903       14.7269541141
  H        13.9826545347       13.0502817991       13.3024152237
  H        15.8532611685       17.5040875388       13.2802600751
      14
 i =      809, E =     -1643.7395988101
 Fe        14.9429740913       15.1729061403       14.3596713336
  O        15.0588858224       16.9385472748       13.2988621708
  H        14.2691406626       17.4964549820       13.1721285984
  O        14.9443738913       13.1946923061       13.4210428841
  H        15.2831391575       12.4086537959       13.8906255487
  O        17.0523201845       15.1758756368       13.8846833944
  H        17.4966541554       14.6244705525       13.2142880568
  O        13.1669600427       15.0604802381       14.2305222271
  H        12.4290269353       15.1636653724       14.8545797333
  O        15.5278225122       15.1771635931       16.0870130526
  H        15.0151973632       15.2708345526       16.9091639824
  H        17.5352626589       15.0611775491       14.7269543704
  H        13.9826544043       13.0502828898       13.3024149943
  H        15.8532632756       17.5040852701       13.2802608150
      14
 i =      810, E =     -1643.7395986881
 Fe        14.9429765338       15.1729062460       14.3596731725
  O        15.0588857651       16.9385472333       13.2988623995
  H        14.2691426475       17.4964578477       13.1721318353
  O        14.9443729614       13.1946929064       13.4210425325
  H        15.2831383352       12.4086534186       13.8906267459
  O        17.0523200070       15.1758753640       13.8846827012
  H        17.4966528881       14.6244688880       13.2142892941
  O        13.1669599075       15.0604803017       14.2305200724
  H        12.4290099260       15.1636705177       14.8545585157
  O        15.5278217159       15.1771633960       16.0870136260
  H        15.0151914334       15.2708297899       16.9091609567
  H        17.5352627388       15.0611777260       14.7269549841
  H        13.9826548929       13.0502839546       13.3024148606
  H        15.8532653858       17.5040833055       13.2802614788
      14
 i =      811, E =     -1643.7395987936
 Fe        14.9429737296       15.1729061028       14.3596701545
  O        15.0588858082       16.9385471688       13.2988622957
  H        14.2691446854       17.4964609665       13.1721353510
  O        14.9443731713       13.1946928744       13.4210426266
  H        15.2831371919       12.4086535757       13.8906276947
  O        17.0523200381       15.1758755418       13.8846827645
  H        17.4966517341       14.6244667711       13.2142902549
  O        13.1669618079       15.0604800121       14.2305209574
  H        12.4289920396       15.1636760737       14.8545347174
  O        15.5278221798       15.1771636417       16.0870144782
  H        15.0151846442       15.2708246229       16.9091581951
  H        17.5352626645       15.0611779782       14.7269553040
  H        13.9826548240       13.0502850684       13.3024146454
  H        15.8532674506       17.5040810695       13.2802621857
      14
 i =      812, E =     -1643.7395989589
 Fe        14.9429765617       15.1729062266       14.3596713439
  O        15.0588869955       16.9385474255       13.2988625274
  H        14.2691461848       17.4964640699       13.1721384459
  O        14.9443739295       13.1946925478       13.4210430065
  H        15.2831360114       12.4086541211       13.8906283179
  O        17.0523200662       15.1758756216       13.8846837648
  H        17.4966508514       14.6244646783       13.2142909339
  O        13.1669603318       15.0604802264       14.2305194436
  H        12.4289761251       15.1636810181       14.8545132627
  O        15.5278215625       15.1771633533       16.0870141300
  H        15.0151785211       15.2708200048       16.9091556503
  H        17.5352621689       15.0611782889       14.7269549715
  H        13.9826542027       13.0502859306       13.3024143748
  H        15.8532688865       17.5040786773       13.2802628595
      14
 i =      813, E =     -1643.7395988172
 Fe        14.9429732606       15.1729060462       14.3596728161
  O        15.0588868361       16.9385474407       13.2988623276
  H        14.2691483111       17.4964672334       13.1721420366
  O        14.9443739529       13.1946925702       13.4210429569
  H        15.2831348712       12.4086542806       13.8906293154
  O        17.0523201504       15.1758757003       13.8846835918
  H        17.4966496519       14.6244625430       13.2142919932
  O        13.1669622798       15.0604799180       14.2305202566
  H        12.4289578456       15.1636867074       14.8544889150
  O        15.5278218825       15.1771636112       16.0870146253
  H        15.0151715548       15.2708147162       16.9091527716
  H        17.5352620355       15.0611785508       14.7269552659
  H        13.9826540952       13.0502870402       13.3024141471
  H        15.8532710167       17.5040764049       13.2802636033
      14
 i =      814, E =     -1643.7395987484
 Fe        14.9429758715       15.1729062232       14.3596707949
  O        15.0588868500       16.9385473504       13.2988625544
  H        14.2691503710       17.4964702923       13.1721454437
  O        14.9443731519       13.1946931218       13.4210426762
  H        15.2831339443       12.4086539759       13.8906305342
  O        17.0523199736       15.1758754826       13.8846830405
  H        17.4966483348       14.6244607004       13.2142932516
  O        13.1669622500       15.0604799344       14.2305183922
  H        12.4289398002       15.1636921970       14.8544661724
  O        15.5278211797       15.1771634733       16.0870155499
  H        15.0151652319       15.2708096233       16.9091495434
  H        17.5352620781       15.0611787531       14.7269558137
  H        13.9826545065       13.0502881592       13.3024139859
  H        15.8532731797       17.5040742874       13.2802643086
      14
 i =      815, E =     -1643.7395988582
 Fe        14.9429730613       15.1729059851       14.3596694695
  O        15.0588868895       16.9385473562       13.2988624532
  H        14.2691523891       17.4964733676       13.1721489098
  O        14.9443732838       13.1946931088       13.4210427269
  H        15.2831328202       12.4086541090       13.8906315128
  O        17.0523200162       15.1758756149       13.8846830303
  H        17.4966471661       14.6244586056       13.2142942421
  O        13.1669640811       15.0604796690       14.2305191509
  H        12.4289219207       15.1636977566       14.8544424790
  O        15.5278215152       15.1771636789       16.0870160506
  H        15.0151584050       15.2708044670       16.9091467563
  H        17.5352619997       15.0611790062       14.7269561766
  H        13.9826544684       13.0502892726       13.3024137771
  H        15.8532752401       17.5040720798       13.2802650101
      14
 i =      816, E =     -1643.7395989271
 Fe        14.9429757485       15.1729061648       14.3596725898
  O        15.0588880479       16.9385476155       13.2988626435
  H        14.2691539074       17.4964764796       13.1721520133
  O        14.9443740690       13.1946927594       13.4210430979
  H        15.2831316197       12.4086546685       13.8906321498
  O        17.0523200550       15.1758757148       13.8846840343
  H        17.4966462770       14.6244564675       13.2142949274
  O        13.1669627190       15.0604798640       14.2305177246
  H        12.4289057963       15.1637027815       14.8544207165
  O        15.5278209166       15.1771634177       16.0870156366
  H        15.0151521789       15.2707997755       16.9091441394
  H        17.5352614978       15.0611793233       14.7269558457
  H        13.9826538355       13.0502901461       13.3024135026
  H        15.8532766936       17.5040696870       13.2802656883
      14
 i =      817, E =     -1643.7395988371
 Fe        14.9429723723       15.1729059965       14.3596706091
  O        15.0588879072       16.9385475808       13.2988624905
  H        14.2691560808       17.4964797217       13.1721556694
  O        14.9443740880       13.1946928059       13.4210430660
  H        15.2831304380       12.4086548290       13.8906331809
  O        17.0523201254       15.1758757907       13.8846838873
  H        17.4966450352       14.6244542500       13.2142960220
  O        13.1669646014       15.0604795683       14.2305183960
  H        12.4288869518       15.1637086606       14.8543956390
  O        15.5278212076       15.1771636654       16.0870164428
  H        15.0151450405       15.2707943093       16.9091410957
  H        17.5352613632       15.0611795957       14.7269561286
  H        13.9826537266       13.0502912932       13.3024132695
  H        15.8532788689       17.5040673668       13.2802664505
      14
 i =      818, E =     -1643.7395989432
 Fe        14.9429754354       15.1729061174       14.3596705127
  O        15.0588879571       16.9385475582       13.2988626941
  H        14.2691581206       17.4964827822       13.1721590547
  O        14.9443732650       13.1946933500       13.4210427482
  H        15.2831295132       12.4086545197       13.8906344266
  O        17.0523199444       15.1758755552       13.8846832887
  H        17.4966437080       14.6244523908       13.2142972986
  O        13.1669643742       15.0604796154       14.2305163828
  H        12.4288688102       15.1637141967       14.8543727479
  O        15.5278203916       15.1771634872       16.0870169298
  H        15.0151386107       15.2707891829       16.9091378412
  H        17.5352613963       15.0611798004       14.7269567126
  H        13.9826541327       13.0502924168       13.3024131071
  H        15.8532810342       17.5040652464       13.2802671592
      14
 i =      819, E =     -1643.7395989005
 Fe        14.9429666838       15.1729056395       14.3596691642
  O        15.0588892287       16.9385478186       13.2988631917
  H        14.2691652475       17.4964940065       13.1721714064
  O        14.9443739172       13.1946933697       13.4210431782
  H        15.2831253111       12.4086551488       13.8906378641
  O        17.0523199929       15.1758755659       13.8846839304
  H        17.4966394978       14.6244447629       13.2143008754
  O        13.1669665378       15.0604798508       14.2305121152
  H        12.4288038419       15.1637342956       14.8542880888
  O        15.5278194025       15.1771630163       16.0870181659
  H        15.0151143240       15.2707705734       16.9091271272
  H        17.5352608528       15.0611807487       14.7269575551
  H        13.9826536146       13.0502964175       13.3024123211
  H        15.8532883548       17.5040572027       13.2802697034
      14
 i =      820, E =     -1643.7395987702
 Fe        14.9429741602       15.1729060448       14.3596726894
  O        15.0588895209       16.9385479108       13.2988629969
  H        14.2691673860       17.4964976459       13.1721752418
  O        14.9443741434       13.1946932069       13.4210432791
  H        15.2831240198       12.4086555282       13.8906388849
  O        17.0523198282       15.1758757994       13.8846844126
  H        17.4966382882       14.6244421922       13.2143019279
  O        13.1669656366       15.0604794468       14.2305136219
  H        12.4287841639       15.1637406275       14.8542603664
  O        15.5278189470       15.1771632940       16.0870180465
  H        15.0151066107       15.2707646409       16.9091237973
  H        17.5352604307       15.0611811273       14.7269575505
  H        13.9826533156       13.0502975137       13.3024120380
  H        15.8532904285       17.5040544788       13.2802705039
      14
 i =      821, E =     -1643.7395989165
 Fe        14.9429706843       15.1729058576       14.3596702920
  O        15.0588897664       16.9385478720       13.2988629820
  H        14.2691692265       17.4965005482       13.1721784125
  O        14.9443739818       13.1946934345       13.4210432058
  H        15.2831229851       12.4086555221       13.8906398943
  O        17.0523199509       15.1758757776       13.8846841216
  H        17.4966370893       14.6244402978       13.2143030174
  O        13.1669678460       15.0604792610       14.2305136293
  H        12.4287670440       15.1637458894       14.8542383546
  O        15.5278195548       15.1771634280       16.0870188952
  H        15.0151001282       15.2707597952       16.9091212303
  H        17.5352603893       15.0611813370       14.7269578993
  H        13.9826533696       13.0502985766       13.3024118400
  H        15.8532922296       17.5040523727       13.2802711775
      14
 i =      822, E =     -1643.7395987224
 Fe        14.9429741312       15.1729059935       14.3596710110
  O        15.0588899206       16.9385479048       13.2988629535
  H        14.2691711988       17.4965036736       13.1721817785
  O        14.9443738737       13.1946935212       13.4210431597
  H        15.2831218960       12.4086556440       13.8906409215
  O        17.0523198993       15.1758758055       13.8846841640
  H        17.4966359085       14.6244381755       13.2143040988
  O        13.1669680463       15.0604790888       14.2305136044
  H        12.4287490818       15.1637514962       14.8542145100
  O        15.5278193768       15.1771635333       16.0870193005
  H        15.0150933602       15.2707545758       16.9091182048
  H        17.5352601782       15.0611816163       14.7269581067
  H        13.9826533367       13.0502996228       13.3024116140
  H        15.8532942064       17.5040501014       13.2802719060
      14
 i =      823, E =     -1643.7395988637
 Fe        14.9429713979       15.1729058702       14.3596703782
  O        15.0588902753       16.9385479512       13.2988629216
  H        14.2691729524       17.4965066455       13.1721849517
  O        14.9443740779       13.1946934700       13.4210432256
  H        15.2831208226       12.4086558682       13.8906418054
  O        17.0523199739       15.1758758547       13.8846843340
  H        17.4966348214       14.6244361242       13.2143050550
  O        13.1669693440       15.0604788775       14.2305134044
  H        12.4287319562       15.1637568435       14.8541922767
  O        15.5278191921       15.1771636585       16.0870199496
  H        15.0150870445       15.2707496389       16.9091152520
  H        17.5352599528       15.0611819049       14.7269582281
  H        13.9826531147       13.0503006307       13.3024114059
  H        15.8532959722       17.5040479268       13.2802725691
      14
 i =      824, E =     -1643.7395988973
 Fe        14.9429725779       15.1729059072       14.3596702976
  O        15.0588903322       16.9385479280       13.2988629846
  H        14.2691747855       17.4965094059       13.1721879771
  O        14.9443737549       13.1946937437       13.4210430969
  H        15.2831198669       12.4086558156       13.8906428272
  O        17.0523198851       15.1758758175       13.8846840638
  H        17.4966336992       14.6244342717       13.2143060941
  O        13.1669695871       15.0604788602       14.2305128706
  H        12.4287157360       15.1637618874       14.8541708253
  O        15.5278191955       15.1771636108       16.0870201953
  H        15.0150807957       15.2707449621       16.9091127151
  H        17.5352599155       15.0611821168       14.7269586345
  H        13.9826532663       13.0503016223       13.3024112318
  H        15.8532978311       17.5040459717       13.2802732165
      14
 i =      825, E =     -1643.7395988201
 Fe        14.9429713355       15.1729057470       14.3596702050
  O        15.0588899794       16.9385478970       13.2988627331
  H        14.2691767005       17.4965124438       13.1721914577
  O        14.9443734267       13.1946938171       13.4210427453
  H        15.2831189539       12.4086555054       13.8906441624
  O        17.0523201274       15.1758760770       13.8846836180
  H        17.4966323425       14.6244320741       13.2143071008
  O        13.1669709053       15.0604784267       14.2305149306
  H        12.4286975875       15.1637676884       14.8541457481
  O        15.5278191616       15.1771641235       16.0870218322
  H        15.0150741120       15.2707394460       16.9091086969
  H        17.5352600172       15.0611823485       14.7269594020
  H        13.9826535267       13.0503029957       13.3024110568
  H        15.8533003430       17.5040439249       13.2802739164
      14
 i =      826, E =     -1643.7395989365
 Fe        14.9429719112       15.1729059237       14.3596708343
  O        15.0588914948       16.9385481920       13.2988628404
  H        14.2691780894       17.4965155214       13.1721943973
  O        14.9443749595       13.1946931014       13.4210434863
  H        15.2831175438       12.4086565249       13.8906445268
  O        17.0523203394       15.1758762545       13.8846851364
  H        17.4966315422       14.6244298306       13.2143077144
  O        13.1669718841       15.0604783446       14.2305135510
  H        12.4286807598       15.1637728254       14.8541249353
  O        15.5278194813       15.1771639702       16.0870212423
  H        15.0150675500       15.2707348394       16.9091066934
  H        17.5352593021       15.0611827145       14.7269586704
  H        13.9826524764       13.0503037342       13.3024107345
  H        15.8533013625       17.5040414043       13.2802745907
      14
 i =      827, E =     -1643.7395988409
 Fe        14.9429717800       15.1729059105       14.3596702527
  O        15.0588913054       16.9385482135       13.2988625056
  H        14.2691801488       17.4965187999       13.1721980333
  O        14.9443747850       13.1946931080       13.4210432303
  H        15.2831163308       12.4086566251       13.8906457068
  O        17.0523204335       15.1758763538       13.8846848729
  H        17.4966302403       14.6244274786       13.2143087669
  O        13.1669729532       15.0604779445       14.2305145246
  H        12.4286615685       15.1637789181       14.8540989480
  O        15.5278195454       15.1771642545       16.0870221004
  H        15.0150601725       15.2707291513       16.9091032266
  H        17.5352591289       15.0611829972       14.7269589603
  H        13.9826524180       13.0503049485       13.3024104745
  H        15.8533035128       17.5040390397       13.2802753871
      14
 i =      828, E =     -1643.7395989565
 Fe        14.9429710413       15.1729057404       14.3596701913
  O        15.0588907534       16.9385480396       13.2988626889
  H        14.2691821679       17.4965212422       13.1722009050
  O        14.9443733363       13.1946940853       13.4210426288
  H        15.2831157058       12.4086559374       13.8906470726
  O        17.0523201821       15.1758759965       13.8846835214
  H        17.4966289341       14.6244260342       13.2143102005
  O        13.1669734742       15.0604780081       14.2305132831
  H        12.4286458444       15.1637837701       14.8540788557
  O        15.5278193169       15.1771641548       16.0870226202
  H        15.0150543593       15.2707246763       16.9091006130
  H        17.5352594387       15.0611831060       14.7269599475
  H        13.9826533121       13.0503059659       13.3024104328
  H        15.8533056014       17.5040374614       13.2802759925
      14
 i =      829, E =     -1643.7395987320
 Fe        14.9429715833       15.1729058122       14.3596710383
  O        15.0588913318       16.9385480952       13.2988625652
  H        14.2691838301       17.4965244171       13.1722042352
  O        14.9443740633       13.1946937375       13.4210429293
  H        15.2831144707       12.4086562652       13.8906479519
  O        17.0523203025       15.1758763043       13.8846841695
  H        17.4966278086       14.6244236921       13.2143110237
  O        13.1669752312       15.0604775327       14.2305142264
  H        12.4286272756       15.1637895576       14.8540548449
  O        15.5278196983       15.1771644722       16.0870229728
  H        15.0150472398       15.2707193560       16.9090976234
  H        17.5352592000       15.0611834468       14.7269599904
  H        13.9826529487       13.0503070850       13.3024101559
  H        15.8533073967       17.5040351091       13.2802766403
      14
 i =      830, E =     -1643.7395988509
 Fe        14.9429709176       15.1729058136       14.3596701844
  O        15.0588923620       16.9385482508       13.2988627890
  H        14.2691853459       17.4965273153       13.1722071249
  O        14.9443751072       13.1946932692       13.4210434860
  H        15.2831131749       12.4086570362       13.8906484599
  O        17.0523203581       15.1758764572       13.8846853353
  H        17.4966269799       14.6244214922       13.2143116596
  O        13.1669744283       15.0604777594       14.2305131978
  H        12.4286116304       15.1637945057       14.8540335187
  O        15.5278192735       15.1771642855       16.0870233998
  H        15.0150412185       15.2707147199       16.9090948834
  H        17.5352586685       15.0611837512       14.7269595444
  H        13.9826522034       13.0503079107       13.3024098951
  H        15.8533086946       17.5040328666       13.2802773091
      14
 i =      831, E =     -1643.7395989236
 Fe        14.9429711055       15.1729057579       14.3596708071
  O        15.0588916443       16.9385481853       13.2988628829
  H        14.2691874572       17.4965297349       13.1722100745
  O        14.9443736687       13.1946941992       13.4210428937
  H        15.2831124948       12.4086563601       13.8906498344
  O        17.0523201467       15.1758760189       13.8846839462
  H        17.4966255890       14.6244200452       13.2143131490
  O        13.1669751007       15.0604777436       14.2305116731
  H        12.4285952746       15.1637995177       14.8540130885
  O        15.5278190484       15.1771641442       16.0870234745
  H        15.0150350681       15.2707101499       16.9090924525
  H        17.5352589701       15.0611838894       14.7269604808
  H        13.9826530497       13.0503089798       13.3024098119
  H        15.8533108113       17.5040312388       13.2802779042
      14
 i =      832, E =     -1643.7395989140
 Fe        14.9429703522       15.1729057599       14.3596693621
  O        15.0588920460       16.9385481649       13.2988629456
  H        14.2691892281       17.4965326259       13.1722131450
  O        14.9443740933       13.1946940734       13.4210431383
  H        15.2831113243       12.4086566763       13.8906506681
  O        17.0523200866       15.1758761766       13.8846843908
  H        17.4966245586       14.6244179072       13.2143140155
  O        13.1669756890       15.0604776705       14.2305116116
  H        12.4285784131       15.1638048303       14.8539905797
  O        15.5278189553       15.1771642012       16.0870241386
  H        15.0150286512       15.2707052072       16.9090895528
  H        17.5352587679       15.0611841618       14.7269605891
  H        13.9826528227       13.0503099650       13.3024095888
  H        15.8533125336       17.5040291348       13.2802785595
      14
 i =      833, E =     -1643.7395987707
 Fe        14.9429709869       15.1729057476       14.3596720905
  O        15.0588929142       16.9385483092       13.2988630817
  H        14.2691907845       17.4965355741       13.1722161069
  O        14.9443747588       13.1946938143       13.4210434797
  H        15.2831101226       12.4086571929       13.8906513712
  O        17.0523201313       15.1758762554       13.8846851822
  H        17.4966236076       14.6244157594       13.2143148163
  O        13.1669753510       15.0604777784       14.2305105342
  H        12.4285620057       15.1638099696       14.8539688107
  O        15.5278185489       15.1771640469       16.0870241010
  H        15.0150223134       15.2707004375       16.9090868633
  H        17.5352583417       15.0611844749       14.7269603628
  H        13.9826522983       13.0503108542       13.3024093339
  H        15.8533140113       17.5040269094       13.2802792186
      14
 i =      834, E =     -1643.7395989235
 Fe        14.9429698637       15.1729057379       14.3596716560
  O        15.0588929564       16.9385482821       13.2988630677
  H        14.2691926138       17.4965383486       13.1722191382
  O        14.9443747708       13.1946938959       13.4210434992
  H        15.2831090534       12.4086573553       13.8906522956
  O        17.0523201187       15.1758762640       13.8846851664
  H        17.4966224932       14.6244137590       13.2143158307
  O        13.1669762269       15.0604776351       14.2305104798
  H        12.4285453150       15.1638152253       14.8539467218
  O        15.5278185418       15.1771641372       16.0870247600
  H        15.0150159441       15.2706955717       16.9090840904
  H        17.5352581907       15.0611847316       14.7269605424
  H        13.9826521875       13.0503118432       13.3024091228
  H        15.8533157954       17.5040249027       13.2802798762
      14
 i =      835, E =     -1643.7395991545
 Fe        14.9429703761       15.1729057408       14.3596726540
  O        15.0588928741       16.9385482404       13.2988632281
  H        14.2691943521       17.4965407710       13.1722218477
  O        14.9443740924       13.1946943588       13.4210432693
  H        15.2831082496       12.4086571280       13.8906533508
  O        17.0523199727       15.1758760729       13.8846846164
  H        17.4966213596       14.6244121431       13.2143169440
  O        13.1669763214       15.0604777079       14.2305090624
  H        12.4285301857       15.1638199141       14.8539273017
  O        15.5278180761       15.1771639924       16.0870253722
  H        15.0150103582       15.2706912350       16.9090814853
  H        17.5352582513       15.0611849093       14.7269610659
  H        13.9826525367       13.0503127886       13.3024089921
  H        15.8533175688       17.5040232148       13.2802804587
      14
 i =      836, E =     -1643.7395989311
 Fe        14.9429694859       15.1729056936       14.3596704856
  O        15.0588930246       16.9385481969       13.2988632336
  H        14.2691961716       17.4965435662       13.1722248981
  O        14.9443742116       13.1946943852       13.4210433637
  H        15.2831071482       12.4086572811       13.8906542879
  O        17.0523199351       15.1758761703       13.8846847163
  H        17.4966202348       14.6244100866       13.2143179098
  O        13.1669773819       15.0604775391       14.2305092328
  H        12.4285132636       15.1638252481       14.8539048757
  O        15.5278182185       15.1771640956       16.0870260847
  H        15.0150038267       15.2706863072       16.9090787935
  H        17.5352581593       15.0611851656       14.7269613315
  H        13.9826524760       13.0503138246       13.3024087808
  H        15.8533193702       17.5040211860       13.2802811084
      14
 i =      837, E =     -1643.7395989010
 Fe        14.9429703019       15.1729057084       14.3596701355
  O        15.0588939158       16.9385483793       13.2988634022
  H        14.2691976180       17.4965463327       13.1722276652
  O        14.9443748446       13.1946941372       13.4210436880
  H        15.2831060217       12.4086577685       13.8906549569
  O        17.0523199913       15.1758762396       13.8846855134
  H        17.4966193331       14.6244080298       13.2143186499
  O        13.1669767295       15.0604777056       14.2305079862
  H        12.4284978470       15.1638301016       14.8538842645
  O        15.5278177569       15.1771638833       16.0870260086
  H        15.0149978029       15.2706818039       16.9090762846
  H        17.5352577402       15.0611854689       14.7269611068
  H        13.9826519451       13.0503146710       13.3024085352
  H        15.8533207623       17.5040190735       13.2802817355
      14
 i =      838, E =     -1643.7395989434
 Fe        14.9429691584       15.1729056329       14.3596708501
  O        15.0588939484       16.9385484242       13.2988632821
  H        14.2691993669       17.4965490365       13.1722306101
  O        14.9443749333       13.1946941162       13.4210436911
  H        15.2831049623       12.4086579864       13.8906558524
  O        17.0523200278       15.1758763054       13.8846855173
  H        17.4966182619       14.6244060212       13.2143195989
  O        13.1669778619       15.0604774922       14.2305084385
  H        12.4284815598       15.1638352634       14.8538624760
  O        15.5278178100       15.1771640409       16.0870262314
  H        15.0149914431       15.2706770268       16.9090736155
  H        17.5352575583       15.0611857324       14.7269612863
  H        13.9826517730       13.0503156401       13.3024083159
  H        15.8533225018       17.5040171018       13.2802823834
      14
 i =      839, E =     -1643.7395987429
 Fe        14.9429697984       15.1729056953       14.3596701025
  O        15.0588938438       16.9385483707       13.2988634125
  H        14.2692014940       17.4965520734       13.1722339791
  O        14.9443740808       13.1946946688       13.4210433493
  H        15.2831039572       12.4086576986       13.8906571955
  O        17.0523198938       15.1758760835       13.8846848030
  H        17.4966168364       14.6244039685       13.2143209829
  O        13.1669782587       15.0604775045       14.2305068270
  H        12.4284624862       15.1638411943       14.8538380662
  O        15.5278171470       15.1771639365       16.0870270041
  H        15.0149844764       15.2706715379       16.9090701286
  H        17.5352576175       15.0611859640       14.7269619463
  H        13.9826521934       13.0503168375       13.3024081474
  H        15.8533247305       17.5040150023       13.2802831150
      14
 i =      840, E =     -1643.7395989800
 Fe        14.9429683421       15.1729054802       14.3596702414
  O        15.0588934174       16.9385483437       13.2988632078
  H        14.2692032424       17.4965547495       13.1722370671
  O        14.9443737472       13.1946947168       13.4210429995
  H        15.2831031541       12.4086573457       13.8906584964
  O        17.0523202343       15.1758762884       13.8846843088
  H        17.4966155016       14.6244019568       13.2143220054
  O        13.1669799813       15.0604770597       14.2305085907
  H        12.4284453020       15.1638466813       14.8538150992
  O        15.5278168402       15.1771644684       16.0870292136
  H        15.0149784853       15.2706663334       16.9090658036
  H        17.5352577572       15.0611861930       14.7269627445
  H        13.9826525043       13.0503181311       13.3024079938
  H        15.8533271535       17.5040132542       13.2802837429
      14
 i =      841, E =     -1643.7395990737
 Fe        14.9429699250       15.1729057327       14.3596709829
  O        15.0588953093       16.9385486855       13.2988633368
  H        14.2692044466       17.4965578373       13.1722398675
  O        14.9443756642       13.1946937974       13.4210439281
  H        15.2831016456       12.4086585853       13.8906587541
  O        17.0523202709       15.1758766890       13.8846863656
  H        17.4966148550       14.6243994466       13.2143223782
  O        13.1669795337       15.0604771293       14.2305077931
  H        12.4284292989       15.1638517480       14.8537935564
  O        15.5278176713       15.1771641382       16.0870272847
  H        15.0149712090       15.2706618052       16.9090647477
  H        17.5352569436       15.0611865874       14.7269618398
  H        13.9826511948       13.0503188471       13.3024076439
  H        15.8533279514       17.5040106554       13.2802844129
      14
 i =      842, E =     -1643.7395991947
 Fe        14.9429684113       15.1729056414       14.3596701835
  O        15.0588949374       16.9385487002       13.2988630330
  H        14.2692062612       17.4965605603       13.1722429660
  O        14.9443752681       13.1946939009       13.4210435840
  H        15.2831006186       12.4086585198       13.8906599174
  O        17.0523203879       15.1758767173       13.8846858142
  H        17.4966136010       14.6243973973       13.2143233672
  O        13.1669808702       15.0604767370       14.2305087303
  H        12.4284123445       15.1638571968       14.8537705923
  O        15.5278176667       15.1771644189       16.0870282480
  H        15.0149646267       15.2706567332       16.9090616126
  H        17.5352569308       15.0611868173       14.7269623168
  H        13.9826513052       13.0503200163       13.3024074348
  H        15.8533299142       17.5040087057       13.2802851030
      14
 i =      843, E =     -1643.7395988201
 Fe        14.9429688062       15.1729055348       14.3596704771
  O        15.0588943655       16.9385485706       13.2988631658
  H        14.2692083226       17.4965630021       13.1722458208
  O        14.9443740111       13.1946947603       13.4210430767
  H        15.2830998872       12.4086579952       13.8906612433
  O        17.0523202475       15.1758762801       13.8846846132
  H        17.4966122274       14.6243958769       13.2143248885
  O        13.1669818179       15.0604767150       14.2305069823
  H        12.4283956846       15.1638623148       14.8537501650
  O        15.5278170312       15.1771643819       16.0870291569
  H        15.0149587942       15.2706520280       16.9090584459
  H        17.5352571058       15.0611869774       14.7269631098
  H        13.9826520352       13.0503210229       13.3024073627
  H        15.8533319661       17.5040070845       13.2802857250
      14
 i =      844, E =     -1643.7395988475
 Fe        14.9429687307       15.1729055987       14.3596701286
  O        15.0588950513       16.9385486069       13.2988630739
  H        14.2692097659       17.4965659193       13.1722488042
  O        14.9443747720       13.1946943978       13.4210433795
  H        15.2830986910       12.4086583491       13.8906620673
  O        17.0523203323       15.1758766167       13.8846853806
  H        17.4966111965       14.6243935868       13.2143255909
  O        13.1669830981       15.0604763287       14.2305079094
  H        12.4283785620       15.1638677532       14.8537275573
  O        15.5278172933       15.1771646328       16.0870295451
  H        15.0149520652       15.2706470202       16.9090556329
  H        17.5352568596       15.0611873075       14.7269630713
  H        13.9826516107       13.0503220845       13.3024070906
  H        15.8533335428       17.5040049166       13.2802863328
      14
 i =      845, E =     -1643.7395989198
 Fe        14.9429682947       15.1729055505       14.3596706266
  O        15.0588958226       16.9385487370       13.2988632674
  H        14.2692112724       17.4965685726       13.1722514765
  O        14.9443753993       13.1946941516       13.4210437535
  H        15.2830975161       12.4086589190       13.8906626877
  O        17.0523202981       15.1758766857       13.8846861087
  H        17.4966103172       14.6243915310       13.2143263532
  O        13.1669823154       15.0604765620       14.2305070160
  H        12.4283636008       15.1638725341       14.8537069591
  O        15.5278171424       15.1771644159       16.0870293944
  H        15.0149459476       15.2706425755       16.9090533198
  H        17.5352564644       15.0611875782       14.7269628593
  H        13.9826511237       13.0503229006       13.3024068704
  H        15.8533348442       17.5040028869       13.2802869600
      14
 i =      846, E =     -1643.7395988891
 Fe        14.9429691847       15.1729056256       14.3596706999
  O        15.0588958155       16.9385487429       13.2988629375
  H        14.2692126197       17.4965709496       13.1722539794
  O        14.9443754927       13.1946940975       13.4210436812
  H        15.2830965641       12.4086591245       13.8906634848
  O        17.0523203829       15.1758767890       13.8846860738
  H        17.4966093931       14.6243897412       13.2143271111
  O        13.1669838439       15.0604760455       14.2305081440
  H        12.4283493256       15.1638770877       14.8536881388
  O        15.5278174289       15.1771647488       16.0870294758
  H        15.0149402553       15.2706384065       16.9090511747
  H        17.5352562559       15.0611878617       14.7269629015
  H        13.9826509391       13.0503237119       13.3024066423
  H        15.8533361480       17.5040010901       13.2802874926
      14
 i =      847, E =     -1643.7395989433
 Fe        14.9429671214       15.1729054855       14.3596689633
  O        15.0588951493       16.9385485959       13.2988631673
  H        14.2692146093       17.4965731246       13.1722566392
  O        14.9443741410       13.1946949734       13.4210431521
  H        15.2830958978       12.4086585151       13.8906647900
  O        17.0523201724       15.1758763837       13.8846847817
  H        17.4966080803       14.6243883179       13.2143285013
  O        13.1669843552       15.0604762045       14.2305060424
  H        12.4283339242       15.1638818614       14.8536689665
  O        15.5278165365       15.1771645989       16.0870308446
  H        15.0149349929       15.2706339741       16.9090479024
  H        17.5352565650       15.0611879606       14.7269638650
  H        13.9826517556       13.0503247380       13.3024065977
  H        15.8533381969       17.5039997201       13.2802880752
      14
 i =      848, E =     -1643.7395991046
 Fe        14.9429691410       15.1729055738       14.3596725203
  O        15.0588965329       16.9385487908       13.2988633319
  H        14.2692158171       17.4965759675       13.1722592702
  O        14.9443754909       13.1946943505       13.4210438482
  H        15.2830945718       12.4086594214       13.8906652093
  O        17.0523201478       15.1758766749       13.8846863427
  H        17.4966073723       14.6243860270       13.2143289863
  O        13.1669834753       15.0604763521       14.2305053334
  H        12.4283188236       15.1638866779       14.8536483075
  O        15.5278166390       15.1771643598       16.0870298339
  H        15.0149285180       15.2706295504       16.9090460654
  H        17.5352559414       15.0611883249       14.7269632484
  H        13.9826508232       13.0503254851       13.3024062922
  H        15.8533392097       17.5039974615       13.2802886787
      14
 i =      849, E =     -1643.7395989575
 Fe        14.9429667617       15.1729055016       14.3596705281
  O        15.0588964032       16.9385487297       13.2988633832
  H        14.2692176269       17.4965785058       13.1722620912
  O        14.9443753206       13.1946945627       13.4210438152
  H        15.2830935508       12.4086595013       13.8906661645
  O        17.0523201159       15.1758765823       13.8846861294
  H        17.4966062229       14.6243841249       13.2143300637
  O        13.1669843247       15.0604762742       14.2305048823
  H        12.4283026730       15.1638918033       14.8536270651
  O        15.5278163780       15.1771644203       16.0870308262
  H        15.0149224548       15.2706247998       16.9090431355
  H        17.5352558532       15.0611885582       14.7269635010
  H        13.9826508053       13.0503264648       13.3024061048
  H        15.8533409638       17.5039956609       13.2802893053
      14
 i =      850, E =     -1643.7395988440
 Fe        14.9429681812       15.1729055080       14.3596695486
  O        15.0588962138       16.9385486999       13.2988635268
  H        14.2692193576       17.4965807886       13.1722646736
  O        14.9443745388       13.1946950833       13.4210435413
  H        15.2830927606       12.4086592199       13.8906672661
  O        17.0523199521       15.1758763431       13.8846854614
  H        17.4966050417       14.6243825503       13.2143312449
  O        13.1669844035       15.0604763481       14.2305034173
  H        12.4282876271       15.1638964931       14.8536078950
  O        15.5278158470       15.1771642820       16.0870313468
  H        15.0149168842       15.2706204682       16.9090404557
  H        17.5352559509       15.0611887290       14.7269640809
  H        13.9826512228       13.0503274169       13.3024059776
  H        15.8533427161       17.5039940819       13.2802898721
      14
 i =      851, E =     -1643.7395989138
 Fe        14.9429668694       15.1729054359       14.3596714427
  O        15.0588964328       16.9385487206       13.2988635374
  H        14.2692209780       17.4965833116       13.1722673783
  O        14.9443746946       13.1946950721       13.4210436396
  H        15.2830917269       12.4086594121       13.8906681339
  O        17.0523199293       15.1758764228       13.8846856057
  H        17.4966040139       14.6243805998       13.2143321453
  O        13.1669853203       15.0604762444       14.2305033554
  H        12.4282719775       15.1639014698       14.8535872052
  O        15.5278157868       15.1771643375       16.0870316894
  H        15.0149108030       15.2706158754       16.9090378217
  H        17.5352558224       15.0611889841       14.7269643083
  H        13.9826511159       13.0503283566       13.3024057828
  H        15.8533443261       17.5039922571       13.2802904647
      14
 i =      852, E =     -1643.7395989091
 Fe        14.9429676569       15.1729055146       14.3596727175
  O        15.0588972151       16.9385488032       13.2988637067
  H        14.2692224185       17.4965859754       13.1722700484
  O        14.9443752643       13.1946948791       13.4210439681
  H        15.2830905854       12.4086598467       13.8906688469
  O        17.0523199455       15.1758765193       13.8846863741
  H        17.4966030663       14.6243785222       13.2143329205
  O        13.1669849012       15.0604763489       14.2305025733
  H        12.4282565543       15.1639063802       14.8535664277
  O        15.5278155699       15.1771642002       16.0870319076
  H        15.0149046694       15.2706113184       16.9090353212
  H        17.5352554655       15.0611892817       14.7269641198
  H        13.9826506693       13.0503292411       13.3024055382
  H        15.8533457039       17.5039902468       13.2802910723
      14
 i =      853, E =     -1643.7395989702
 Fe        14.9429666197       15.1729054494       14.3596703270
  O        15.0588973163       16.9385487904       13.2988637159
  H        14.2692240715       17.4965884998       13.1722727637
  O        14.9443753118       13.1946949340       13.4210440225
  H        15.2830895569       12.4086600350       13.8906697239
  O        17.0523199411       15.1758765416       13.8846864142
  H        17.4966019942       14.6243765728       13.2143338829
  O        13.1669857308       15.0604762135       14.2305025806
  H        12.4282408457       15.1639113903       14.8535455460
  O        15.5278156044       15.1771642756       16.0870325243
  H        15.0148985124       15.2706066972       16.9090327615
  H        17.5352553117       15.0611895404       14.7269642747
  H        13.9826505333       13.0503301818       13.3024053332
  H        15.8533473080       17.5039883973       13.2802916839
      14
 i =      854, E =     -1643.7395990508
 Fe        14.9429671061       15.1729054385       14.3596701302
  O        15.0588971669       16.9385487990       13.2988638362
  H        14.2692257500       17.4965907312       13.1722752913
  O        14.9443746067       13.1946953939       13.4210437481
  H        15.2830887647       12.4086597756       13.8906708071
  O        17.0523198131       15.1758763186       13.8846857539
  H        17.4966008260       14.6243749914       13.2143350170
  O        13.1669859086       15.0604762961       14.2305009695
  H        12.4282259715       15.1639160411       14.8535266348
  O        15.5278149778       15.1771641225       16.0870329845
  H        15.0148930142       15.2706024065       16.9090300503
  H        17.5352554164       15.0611897094       14.7269648789
  H        13.9826508952       13.0503311420       13.3024052026
  H        15.8533490530       17.5039868552       13.2802922423
      14
 i =      855, E =     -1643.7395990023
 Fe        14.9429658018       15.1729052740       14.3596701427
  O        15.0588966670       16.9385487776       13.2988635640
  H        14.2692273519       17.4965930733       13.1722780114
  O        14.9443742782       13.1946954427       13.4210433839
  H        15.2830880397       12.4086594539       13.8906720183
  O        17.0523201577       15.1758765215       13.8846851838
  H        17.4965995805       14.6243731364       13.2143360156
  O        13.1669878860       15.0604758018       14.2305029916
  H        12.4282102697       15.1639211037       14.8535056074
  O        15.5278148046       15.1771647161       16.0870351423
  H        15.0148875045       15.2705976041       16.9090260089
  H        17.5352555743       15.0611899309       14.7269656498
  H        13.9826511870       13.0503323063       13.3024050610
  H        15.8533512439       17.5039853292       13.2802928052
      14
 i =      856, E =     -1643.7395989706
 Fe        14.9429676151       15.1729055299       14.3596710454
  O        15.0588985834       16.9385490655       13.2988637389
  H        14.2692284679       17.4965960788       13.1722806767
  O        14.9443759461       13.1946946384       13.4210442170
  H        15.2830865860       12.4086605573       13.8906723740
  O        17.0523201681       15.1758769175       13.8846872171
  H        17.4965989058       14.6243706136       13.2143364040
  O        13.1669871891       15.0604759099       14.2305021291
  H        12.4281944218       15.1639261738       14.8534841544
  O        15.5278155266       15.1771643541       16.0870332426
  H        15.0148802140       15.2705930667       16.9090248844
  H        17.5352547952       15.0611903237       14.7269648062
  H        13.9826500507       13.0503330631       13.3024047330
  H        15.8533520320       17.5039828303       13.2802934600
      14
 i =      857, E =     -1643.7395990457
 Fe        14.9429658642       15.1729054054       14.3596703039
  O        15.0588982371       16.9385490845       13.2988634372
  H        14.2692301132       17.4965985347       13.1722834542
  O        14.9443756772       13.1946946906       13.4210439347
  H        15.2830856064       12.4086605462       13.8906734430
  O        17.0523202964       15.1758769604       13.8846867304
  H        17.4965977266       14.6243686550       13.2143373318
  O        13.1669885990       15.0604755188       14.2305030772
  H        12.4281786121       15.1639313026       14.8534627548
  O        15.5278155657       15.1771646397       16.0870340718
  H        15.0148739819       15.2705883094       16.9090219870
  H        17.5352547824       15.0611905573       14.7269652321
  H        13.9826500999       13.0503341453       13.3024045333
  H        15.8533538065       17.5039810673       13.2802940844
      14
 i =      858, E =     -1643.7395989759
 Fe        14.9429663962       15.1729053492       14.3596700124
  O        15.0588976142       16.9385489631       13.2988635910
  H        14.2692321146       17.4966008030       13.1722861285
  O        14.9443744810       13.1946955169       13.4210434658
  H        15.2830848749       12.4086600519       13.8906747415
  O        17.0523201663       15.1758764861       13.8846855171
  H        17.4965963467       14.6243671751       13.2143388598
  O        13.1669893885       15.0604755355       14.2305011961
  H        12.4281624059       15.1639363170       14.8534429307
  O        15.5278147719       15.1771645821       16.0870351858
  H        15.0148683499       15.2705836866       16.9090187092
  H        17.5352549647       15.0611907186       14.7269660297
  H        13.9826507848       13.0503351309       13.3024044567
  H        15.8533557985       17.5039795703       13.2802946829
      14
 i =      859, E =     -1643.7395990444
 Fe        14.9429662322       15.1729053568       14.3596710866
  O        15.0588982493       16.9385490066       13.2988635072
  H        14.2692334841       17.4966035136       13.1722888875
  O        14.9443751048       13.1946952185       13.4210437141
  H        15.2830837473       12.4086603480       13.8906755792
  O        17.0523202454       15.1758767995       13.8846862053
  H        17.4965953230       14.6243649553       13.2143395906
  O        13.1669906318       15.0604751688       14.2305020960
  H        12.4281459521       15.1639415902       14.8534211827
  O        15.5278150110       15.1771648200       16.0870354884
  H        15.0148618018       15.2705788381       16.9090159712
  H        17.5352547550       15.0611910473       14.7269660261
  H        13.9826504493       13.0503361625       13.3024042052
  H        15.8533572933       17.5039775563       13.2802952474
      14
 i =      860, E =     -1643.7395990103
 Fe        14.9429657778       15.1729053700       14.3596704262
  O        15.0588991374       16.9385491234       13.2988637221
  H        14.2692348881       17.4966060864       13.1722914166
  O        14.9443758428       13.1946949288       13.4210441471
  H        15.2830825513       12.4086609600       13.8906761738
  O        17.0523201858       15.1758769231       13.8846870962
  H        17.4965944769       14.6243628332       13.2143402882
  O        13.1669897660       15.0604754203       14.2305011821
  H        12.4281312266       15.1639463444       14.8534008128
  O        15.5278149572       15.1771645763       16.0870353118
  H        15.0148556173       15.2705744311       16.9090137965
  H        17.5352543422       15.0611913299       14.7269657599
  H        13.9826498982       13.0503369705       13.3024039759
  H        15.8533584833       17.5039755677       13.2802958587
      14
 i =      861, E =     -1643.7395988981
 Fe        14.9429667126       15.1729054125       14.3596705232
  O        15.0588990445       16.9385491230       13.2988634955
  H        14.2692365208       17.4966087291       13.1722942205
  O        14.9443757536       13.1946949915       13.4210440481
  H        15.2830814765       12.4086611313       13.8906771610
  O        17.0523202259       15.1758769462       13.8846869378
  H        17.4965933434       14.6243607661       13.2143412779
  O        13.1669910850       15.0604749917       14.2305019289
  H        12.4281146420       15.1639516626       14.8533789341
  O        15.5278150658       15.1771648226       16.0870355251
  H        15.0148489785       15.2705695522       16.9090111823
  H        17.5352541421       15.0611916489       14.7269659093
  H        13.9826498001       13.0503379328       13.3024037386
  H        15.8533600591       17.5039735902       13.2802964769
      14
 i =      862, E =     -1643.7395990399
 Fe        14.9429645005       15.1729052546       14.3596692998
  O        15.0588984416       16.9385490046       13.2988636694
  H        14.2692383987       17.4966107775       13.1722967041
  O        14.9443745877       13.1946957681       13.4210435726
  H        15.2830807988       12.4086606072       13.8906784056
  O        17.0523200561       15.1758765590       13.8846857025
  H        17.4965920546       14.6243593466       13.2143426417
  O        13.1669917598       15.0604751290       14.2304998440
  H        12.4280996321       15.1639563490       14.8533603603
  O        15.5278141594       15.1771647002       16.0870368195
  H        15.0148438232       15.2705652097       16.9090079367
  H        17.5352544307       15.0611917588       14.7269668384
  H        13.9826504950       13.0503389191       13.3024036839
  H        15.8533620003       17.5039722975       13.2802970366
      14
 i =      863, E =     -1643.7395989681
 Fe        14.9429666748       15.1729053806       14.3596720548
  O        15.0588998437       16.9385491790       13.2988638458
  H        14.2692394983       17.4966134617       13.1722991331
  O        14.9443758736       13.1946951689       13.4210442489
  H        15.2830795128       12.4086614815       13.8906788278
  O        17.0523200194       15.1758768764       13.8846873258
  H        17.4965913803       14.6243570667       13.2143430820
  O        13.1669907280       15.0604752966       14.2304992399
  H        12.4280851986       15.1639610104       14.8533403660
  O        15.5278142863       15.1771644509       16.0870358322
  H        15.0148374842       15.2705609225       16.9090061901
  H        17.5352538075       15.0611921216       14.7269662066
  H        13.9826496050       13.0503396511       13.3024033886
  H        15.8533629198       17.5039701575       13.2802976126
      14
 i =      864, E =     -1643.7395989500
 Fe        14.9429641663       15.1729052666       14.3596711207
  O        15.0588996682       16.9385491343       13.2988638760
  H        14.2692412556       17.4966158620       13.1723018004
  O        14.9443756659       13.1946953945       13.4210441907
  H        15.2830785133       12.4086615421       13.8906797987
  O        17.0523200005       15.1758767587       13.8846870337
  H        17.4965902133       14.6243551863       13.2143441897
  O        13.1669916837       15.0604752104       14.2304987753
  H        12.4280693032       15.1639660914       14.8533195310
  O        15.5278140086       15.1771645149       16.0870367349
  H        15.0148314437       15.2705562224       16.9090032835
  H        17.5352537392       15.0611923570       14.7269664990
  H        13.9826496096       13.0503406244       13.3024032074
  H        15.8533646266       17.5039684558       13.2802982191
      14
 i =      865, E =     -1643.7395989725
 Fe        14.9429657426       15.1729053207       14.3596706819
  O        15.0588994954       16.9385490877       13.2988640147
  H        14.2692429225       17.4966180481       13.1723042493
  O        14.9443749652       13.1946958703       13.4210439580
  H        15.2830777070       12.4086613077       13.8906808756
  O        17.0523198374       15.1758765398       13.8846864256
  H        17.4965890378       14.6243535840       13.2143453563
  O        13.1669917502       15.0604752741       14.2304974047
  H        12.4280544845       15.1639707562       14.8533005832
  O        15.5278134827       15.1771643943       16.0870373918
  H        15.0148259076       15.2705519095       16.9090005783
  H        17.5352538288       15.0611925356       14.7269670534
  H        13.9826499766       13.0503415638       13.3024030743
  H        15.8533663083       17.5039669413       13.2802987725
      14
 i =      866, E =     -1643.7395989496
 Fe        14.9429642236       15.1729052252       14.3596691243
  O        15.0588997146       16.9385490895       13.2988640422
  H        14.2692444984       17.4966204690       13.1723068308
  O        14.9443751055       13.1946958785       13.4210440607
  H        15.2830766737       12.4086614855       13.8906817568
  O        17.0523198194       15.1758766111       13.8846865665
  H        17.4965879846       14.6243516210       13.2143462788
  O        13.1669927154       15.0604751699       14.2304973057
  H        12.4280389377       15.1639757390       14.8532800693
  O        15.5278134461       15.1771644471       16.0870378952
  H        15.0148198081       15.2705473176       16.9089979530
  H        17.5352537206       15.0611927959       14.7269672872
  H        13.9826498828       13.0503425132       13.3024028817
  H        15.8533678678       17.5039651862       13.2802993502
      14
 i =      867, E =     -1643.7395989412
 Fe        14.9429654087       15.1729052747       14.3596720082
  O        15.0589005121       16.9385492510       13.2988641559
  H        14.2692458056       17.4966229270       13.1723092535
  O        14.9443756532       13.1946956612       13.4210443406
  H        15.2830755846       12.4086619183       13.8906824487
  O        17.0523198482       15.1758767009       13.8846873223
  H        17.4965870887       14.6243496097       13.2143470139
  O        13.1669921239       15.0604752997       14.2304964584
  H        12.4280244019       15.1639804128       14.8532603994
  O        15.5278131553       15.1771642762       16.0870375605
  H        15.0148138583       15.2705429882       16.9089956108
  H        17.5352533473       15.0611930884       14.7269671003
  H        13.9826494363       13.0503433464       13.3024026461
  H        15.8533691192       17.5039633158       13.2802999231
      14
 i =      868, E =     -1643.7395989744
 Fe        14.9429645771       15.1729053207       14.3596727846
  O        15.0589006104       16.9385492702       13.2988637068
  H        14.2692470290       17.4966254888       13.1723118128
  O        14.9443761377       13.1946951875       13.4210441932
  H        15.2830745575       12.4086623222       13.8906833077
  O        17.0523202302       15.1758771234       13.8846876063
  H        17.4965862036       14.6243473225       13.2143474967
  O        13.1669924993       15.0604749728       14.2304980846
  H        12.4280099204       15.1639853084       14.8532392264
  O        15.5278127416       15.1771646850       16.0870391176
  H        15.0148082295       15.2705383043       16.9089920466
  H        17.5352529605       15.0611933942       14.7269671281
  H        13.9826488993       13.0503442736       13.3024023991
  H        15.8533707406       17.5039615051       13.2803005921
      14
 i =      869, E =     -1643.7395989698
 Fe        14.9429637166       15.1729051924       14.3596697425
  O        15.0589000039       16.9385491470       13.2988639430
  H        14.2692488728       17.4966274018       13.1723141826
  O        14.9443747247       13.1946961362       13.4210437328
  H        15.2830739323       12.4086616708       13.8906845897
  O        17.0523199942       15.1758766190       13.8846861396
  H        17.4965848141       14.6243460834       13.2143490132
  O        13.1669945433       15.0604748550       14.2304959904
  H        12.4279946176       15.1639899603       14.8532218440
  O        15.5278129370       15.1771645203       16.0870394966
  H        15.0148025189       15.2705342053       16.9089900608
  H        17.5352533717       15.0611934871       14.7269681257
  H        13.9826497794       13.0503452769       13.3024023502
  H        15.8533725186       17.5039602165       13.2803011052
      14
 i =      870, E =     -1643.7395990268
 Fe        14.9429644615       15.1729051963       14.3596710305
  O        15.0589003119       16.9385492769       13.2988638681
  H        14.2692502632       17.4966298762       13.1723167377
  O        14.9443750083       13.1946959113       13.4210438055
  H        15.2830729998       12.4086618544       13.8906855050
  O        17.0523201643       15.1758768655       13.8846864456
  H        17.4965838028       14.6243439787       13.2143498143
  O        13.1669953559       15.0604745926       14.2304971789
  H        12.4279792178       15.1639949692       14.8532008770
  O        15.5278131868       15.1771647590       16.0870401035
  H        15.0147962641       15.2705295504       16.9089872118
  H        17.5352531921       15.0611938085       14.7269683705
  H        13.9826496214       13.0503462361       13.3024021468
  H        15.8533741373       17.5039583838       13.2803016755
      14
 i =      871, E =     -1643.7395989992
 Fe        14.9429642767       15.1729052357       14.3596695940
  O        15.0589014549       16.9385494237       13.2988640319
  H        14.2692513934       17.4966321985       13.1723189419
  O        14.9443761272       13.1946954378       13.4210443988
  H        15.2830717828       12.4086626101       13.8906859202
  O        17.0523201350       15.1758770841       13.8846878154
  H        17.4965831029       14.6243419369       13.2143502960
  O        13.1669945969       15.0604747637       14.2304964877
  H        12.4279660211       15.1639992698       14.8531825560
  O        15.5278130896       15.1771645594       16.0870397013
  H        15.0147906256       15.2705255729       16.9089853463
  H        17.5352526845       15.0611940879       14.7269678255
  H        13.9826488800       13.0503469629       13.3024019016
  H        15.8533749817       17.5039565196       13.2803022176
      14
 i =      872, E =     -1643.7395991692
 Fe        14.9429639458       15.1729051947       14.3596713664
  O        15.0589011306       16.9385494337       13.2988638690
  H        14.2692530082       17.4966345824       13.1723215439
  O        14.9443756800       13.1946956826       13.4210441417
  H        15.2830708944       12.4086625436       13.8906870189
  O        17.0523202335       15.1758770006       13.8846872246
  H        17.4965819152       14.6243400609       13.2143513979
  O        13.1669964706       15.0604743386       14.2304971959
  H        12.4279499949       15.1640044000       14.8531618497
  O        15.5278132956       15.1771648305       16.0870401808
  H        15.0147842810       15.2705208804       16.9089826222
  H        17.5352526332       15.0611943706       14.7269682667
  H        13.9826490212       13.0503479223       13.3024017106
  H        15.8533766745       17.5039547922       13.2803028043
      14
 i =      873, E =     -1643.7395991360
 Fe        14.9429638132       15.1729051925       14.3596722822
  O        15.0589009385       16.9385493332       13.2988640077
  H        14.2692547182       17.4966367085       13.1723239482
  O        14.9443750446       13.1946961704       13.4210439124
  H        15.2830700654       12.4086623158       13.8906880968
  O        17.0523200594       15.1758767343       13.8846865883
  H        17.4965807074       14.6243384826       13.2143526378
  O        13.1669965449       15.0604744468       14.2304954032
  H        12.4279351586       15.1640090969       14.8531430332
  O        15.5278125219       15.1771646990       16.0870410242
  H        15.0147788751       15.2705165337       16.9089796865
  H        17.5352527381       15.0611945262       14.7269688329
  H        13.9826494079       13.0503488616       13.3024016083
  H        15.8533783441       17.5039533560       13.2803033648
      14
 i =      874, E =     -1643.7395991006
 Fe        14.9429632830       15.1729051030       14.3596704200
  O        15.0589011998       16.9385492780       13.2988640627
  H        14.2692562036       17.4966392019       13.1723265684
  O        14.9443752583       13.1946961812       13.4210440700
  H        15.2830690577       12.4086623750       13.8906890633
  O        17.0523201201       15.1758768842       13.8846868321
  H        17.4965795626       14.6243364285       13.2143536126
  O        13.1669984250       15.0604740699       14.2304963680
  H        12.4279186714       15.1640143519       14.8531218236
  O        15.5278129569       15.1771649898       16.0870420710
  H        15.0147724388       15.2705117091       16.9089768629
  H        17.5352526935       15.0611948479       14.7269690488
  H        13.9826493552       13.0503499017       13.3024013899
  H        15.8533799449       17.5039515357       13.2803038875
      14
 i =      875, E =     -1643.7395990187
 Fe        14.9429641548       15.1729052199       14.3596700161
  O        15.0589023055       16.9385494495       13.2988642223
  H        14.2692573808       17.4966416349       13.1723288543
  O        14.9443762945       13.1946957143       13.4210445824
  H        15.2830678556       12.4086631096       13.8906895540
  O        17.0523200493       15.1758771192       13.8846881238
  H        17.4965788347       14.6243342612       13.2143541331
  O        13.1669967219       15.0604743704       14.2304956217
  H        12.4279050725       15.1640188407       14.8531022788
  O        15.5278127598       15.1771646975       16.0870413845
  H        15.0147664260       15.2705075242       16.9089749184
  H        17.5352521733       15.0611951434       14.7269686050
  H        13.9826486040       13.0503506438       13.3024011415
  H        15.8533809477       17.5039496277       13.2803044699
      14
 i =      876, E =     -1643.7395990474
 Fe        14.9429627838       15.1729050654       14.3596707738
  O        15.0589016146       16.9385494550       13.2988642754
  H        14.2692592532       17.4966435637       13.1723312513
  O        14.9443750925       13.1946964449       13.4210441259
  H        15.2830671607       12.4086626221       13.8906907773
  O        17.0523199428       15.1758766463       13.8846868082
  H        17.4965774836       14.6243328977       13.2143555974
  O        13.1669980814       15.0604743266       14.2304937050
  H        12.4278898527       15.1640235623       14.8530841096
  O        15.5278121981       15.1771646014       16.0870418501
  H        15.0147608842       15.2705032405       16.9089722220
  H        17.5352524581       15.0611952993       14.7269694599
  H        13.9826493171       13.0503516372       13.3024010645
  H        15.8533827460       17.5039483050       13.2803049829
      14
 i =      877, E =     -1643.7395990274
 Fe        14.9429633944       15.1729051528       14.3596689714
  O        15.0589019518       16.9385494055       13.2988643375
  H        14.2692607227       17.4966458953       13.1723336533
  O        14.9443753881       13.1946963813       13.4210443095
  H        15.2830661169       12.4086628845       13.8906915808
  O        17.0523198592       15.1758767813       13.8846872268
  H        17.4965765188       14.6243309132       13.2143564378
  O        13.1669981715       15.0604743073       14.2304936821
  H        12.4278751071       15.1640283508       14.8530641113
  O        15.5278120038       15.1771646323       16.0870423561
  H        15.0147550158       15.2704987782       16.9089695625
  H        17.5352522799       15.0611955651       14.7269695563
  H        13.9826491484       13.0503525142       13.3024008659
  H        15.8533841795       17.5039466244       13.2803055404
      14
 i =      878, E =     -1643.7395988058
 Fe        14.9429629563       15.1729050734       14.3596720816
  O        15.0589028204       16.9385495403       13.2988644409
  H        14.2692620587       17.4966484508       13.1723361278
  O        14.9443759738       13.1946961798       13.4210445946
  H        15.2830649703       12.4086633423       13.8906923185
  O        17.0523198700       15.1758768792       13.8846879621
  H        17.4965755804       14.6243287632       13.2143572332
  O        13.1669978429       15.0604744454       14.2304927318
  H        12.4278598003       15.1640332982       14.8530434718
  O        15.5278116934       15.1771644554       16.0870420406
  H        15.0147487116       15.2704941973       16.9089670716
  H        17.5352519097       15.0611958795       14.7269694057
  H        13.9826486751       13.0503533839       13.3024006305
  H        15.8533854448       17.5039446918       13.2803061330
      14
 i =      879, E =     -1643.7395989959
 Fe        14.9429627078       15.1729051243       14.3596712839
  O        15.0589028289       16.9385494955       13.2988644401
  H        14.2692635735       17.4966506641       13.1723384853
  O        14.9443759645       13.1946962710       13.4210446158
  H        15.2830640088       12.4086634899       13.8906931789
  O        17.0523198369       15.1758768788       13.8846879517
  H        17.4965745470       14.6243269120       13.2143581898
  O        13.1669984532       15.0604743286       14.2304926505
  H        12.4278452058       15.1640380148       14.8530240626
  O        15.5278116099       15.1771645339       16.0870426608
  H        15.0147429482       15.2704898308       16.9089645275
  H        17.5352517861       15.0611961273       14.7269695759
  H        13.9826485815       13.0503542617       13.3024004384
  H        15.8533869094       17.5039430924       13.2803066878
      14
 i =      880, E =     -1643.7395990148
 Fe        14.9429625947       15.1729050861       14.3596716962
  O        15.0589027232       16.9385494535       13.2988645516
  H        14.2692650811       17.4966526817       13.1723407059
  O        14.9443754208       13.1946966430       13.4210444391
  H        15.2830632180       12.4086633459       13.8906941622
  O        17.0523197410       15.1758766950       13.8846874769
  H        17.4965734536       14.6243253275       13.2143592644
  O        13.1669987958       15.0604743790       14.2304913091
  H        12.4278312350       15.1640424497       14.8530062391
  O        15.5278111143       15.1771644215       16.0870433170
  H        15.0147376683       15.2704857341       16.9089619316
  H        17.5352518294       15.0611963195       14.7269700451
  H        13.9826488458       13.0503551463       13.3024003114
  H        15.8533884446       17.5039416945       13.2803072009
      14
 i =      881, E =     -1643.7395990887
 Fe        14.9429622805       15.1729050621       14.3596721202
  O        15.0589028364       16.9385494174       13.2988645563
  H        14.2692665274       17.4966548371       13.1723430020
  O        14.9443754714       13.1946966876       13.4210444954
  H        15.2830622697       12.4086634687       13.8906950171
  O        17.0523197050       15.1758767645       13.8846875368
  H        17.4965724412       14.6243234976       13.2143601567
  O        13.1669996107       15.0604742411       14.2304914668
  H        12.4278169217       15.1640470834       14.8529872053
  O        15.5278111542       15.1771645101       16.0870438741
  H        15.0147319565       15.2704814543       16.9089595102
  H        17.5352517616       15.0611965602       14.7269702979
  H        13.9826488145       13.0503560396       13.3024001314
  H        15.8533898797       17.5039401354       13.2803077302
      14
 i =      882, E =     -1643.7395991019
 Fe        14.9429625234       15.1729050999       14.3596712040
  O        15.0589037130       16.9385495393       13.2988647175
  H        14.2692677442       17.4966571969       13.1723452732
  O        14.9443760922       13.1946964608       13.4210448349
  H        15.2830611876       12.4086639344       13.8906956690
  O        17.0523197363       15.1758768695       13.8846883643
  H        17.4965715661       14.6243214630       13.2143608663
  O        13.1669991007       15.0604743788       14.2304905691
  H        12.4278027524       15.1640516779       14.8529680115
  O        15.5278109362       15.1771643318       16.0870439891
  H        15.0147261082       15.2704771958       16.9089572318
  H        17.5352513897       15.0611968662       14.7269700751
  H        13.9826483152       13.0503568532       13.3023998992
  H        15.8533910099       17.5039383052       13.2803082827
      14
 i =      883, E =     -1643.7395990217
 Fe        14.9429624968       15.1729051371       14.3596714286
  O        15.0589039102       16.9385496190       13.2988643107
  H        14.2692688812       17.4966596809       13.1723476938
  O        14.9443767081       13.1946959029       13.4210448018
  H        15.2830601020       12.4086644618       13.8906964678
  O        17.0523201164       15.1758773084       13.8846888302
  H        17.4965707065       14.6243191335       13.2143613047
  O        13.1669994196       15.0604740245       14.2304926585
  H        12.4277885019       15.1640565393       14.8529469724
  O        15.5278107058       15.1771647384       16.0870453655
  H        15.0147203202       15.2704725511       16.9089538591
  H        17.5352509421       15.0611971882       14.7269700044
  H        13.9826476750       13.0503577397       13.3023996173
  H        15.8533924612       17.5039364747       13.2803089468
      14
 i =      884, E =     -1643.7395989617
 Fe        14.9429613031       15.1729049554       14.3596721578
  O        15.0589029949       16.9385495280       13.2988644272
  H        14.2692707532       17.4966613784       13.1723499212
  O        14.9443749612       13.1946969772       13.4210441235
  H        15.2830595799       12.4086636491       13.8906978406
  O        17.0523198872       15.1758767228       13.8846869889
  H        17.4965692713       14.6243180071       13.2143629140
  O        13.1670016624       15.0604738786       14.2304902474
  H        12.4277735455       15.1640610949       14.8529303749
  O        15.5278107146       15.1771645723       16.0870452938
  H        15.0147147111       15.2704685641       16.9089519169
  H        17.5352514397       15.0611972627       14.7269711757
  H        13.9826487559       13.0503587528       13.3023996063
  H        15.8533943017       17.5039353807       13.2803094339
      14
 i =      885, E =     -1643.7395988938
 Fe        14.9429619384       15.1729050408       14.3596710414
  O        15.0589034360       16.9385495432       13.2988643690
  H        14.2692720027       17.4966637986       13.1723523207
  O        14.9443754330       13.1946967272       13.4210442405
  H        15.2830586312       12.4086638632       13.8906987272
  O        17.0523200654       15.1758770362       13.8846874658
  H        17.4965683011       14.6243158511       13.2143636533
  O        13.1670024998       15.0604736058       14.2304913963
  H        12.4277584434       15.1640660451       14.8529098536
  O        15.5278109219       15.1771648579       16.0870463479
  H        15.0147086564       15.2704639415       16.9089489552
  H        17.5352512398       15.0611975940       14.7269713274
  H        13.9826484915       13.0503596874       13.3023993956
  H        15.8533958268       17.5039336238       13.2803099904
      14
 i =      886, E =     -1643.7395989091
 Fe        14.9429621483       15.1729050432       14.3596698083
  O        15.0589046569       16.9385497166       13.2988645405
  H        14.2692730619       17.4966661115       13.1723544612
  O        14.9443766125       13.1946961853       13.4210448837
  H        15.2830573806       12.4086646729       13.8906991340
  O        17.0523200278       15.1758772692       13.8846889001
  H        17.4965675807       14.6243137316       13.2143641329
  O        13.1670014647       15.0604737801       14.2304909980
  H        12.4277452308       15.1640704134       14.8528911438
  O        15.5278108128       15.1771646580       16.0870459222
  H        15.0147028512       15.2704598797       16.9089470502
  H        17.5352507142       15.0611978916       14.7269707672
  H        13.9826477003       13.0503604328       13.3023991368
  H        15.8533966164       17.5039317431       13.2803105308
      14
 i =      887, E =     -1643.7395991415
 Fe        14.9429613498       15.1729049769       14.3596713043
  O        15.0589042246       16.9385497745       13.2988643193
  H        14.2692746338       17.4966682943       13.1723568722
  O        14.9443760330       13.1946964777       13.4210445301
  H        15.2830565553       12.4086645467       13.8907002498
  O        17.0523201475       15.1758771264       13.8846881113
  H        17.4965663861       14.6243119523       13.2143652801
  O        13.1670034619       15.0604733656       14.2304913412
  H        12.4277297536       15.1640753899       14.8528714392
  O        15.5278109982       15.1771649094       16.0870461978
  H        15.0146966910       15.2704553498       16.9089444533
  H        17.5352507177       15.0611981632       14.7269712833
  H        13.9826479190       13.0503613653       13.3023989622
  H        15.8533982429       17.5039301485       13.2803110965
      14
 i =      888, E =     -1643.7395990457
 Fe        14.9429616930       15.1729050255       14.3596716605
  O        15.0589040084       16.9385496767       13.2988644616
  H        14.2692762490       17.4966702497       13.1723590823
  O        14.9443754600       13.1946968978       13.4210443534
  H        15.2830557359       12.4086643748       13.8907012653
  O        17.0523199758       15.1758769052       13.8846876697
  H        17.4965652478       14.6243103737       13.2143664307
  O        13.1670034080       15.0604734637       14.2304898185
  H        12.4277156681       15.1640798941       14.8528534245
  O        15.5278102474       15.1771647818       16.0870469394
  H        15.0146914310       15.2704511720       16.9089416415
  H        17.5352507693       15.0611983306       14.7269717454
  H        13.9826482738       13.0503622653       13.3023988610
  H        15.8533997987       17.5039288237       13.2803116236
      14
 i =      889, E =     -1643.7395992348
 Fe        14.9429608528       15.1729048669       14.3596721514
  O        15.0589042685       16.9385496584       13.2988644638
  H        14.2692776095       17.4966725252       13.1723614514
  O        14.9443756543       13.1946968870       13.4210444610
  H        15.2830547767       12.4086644401       13.8907021883
  O        17.0523200473       15.1758770504       13.8846878439
  H        17.4965641585       14.6243084072       13.2143673608
  O        13.1670052382       15.0604731016       14.2304906873
  H        12.4277002034       15.1640848714       14.8528335035
  O        15.5278106077       15.1771650721       16.0870476645
  H        15.0146853105       15.2704466030       16.9089389717
  H        17.5352507326       15.0611986398       14.7269719561
  H        13.9826482376       13.0503632534       13.3023986569
  H        15.8534012581       17.5039271572       13.2803121080
      14
 i =      890, E =     -1643.7395990615
 Fe        14.9429618011       15.1729050857       14.3596710398
  O        15.0589053792       16.9385497257       13.2988646598
  H        14.2692786519       17.4966748241       13.1723635383
  O        14.9443766785       13.1946964950       13.4210449688
  H        15.2830536240       12.4086651181       13.8907026734
  O        17.0523199537       15.1758772533       13.8846890274
  H        17.4965634273       14.6243063288       13.2143679001
  O        13.1670036346       15.0604733741       14.2304899554
  H        12.4276872044       15.1640891862       14.8528149235
  O        15.5278103591       15.1771648181       16.0870475183
  H        15.0146796539       15.2704425588       16.9089369228
  H        17.5352502666       15.0611989244       14.7269715549
  H        13.9826474821       13.0503639598       13.3023984140
  H        15.8534021569       17.5039253742       13.2803126567
      14
 i =      891, E =     -1643.7395990406
 Fe        14.9429604513       15.1729048594       14.3596697349
  O        15.0589046527       16.9385497445       13.2988647261
  H        14.2692804661       17.4966766029       13.1723657790
  O        14.9443755229       13.1946971764       13.4210445629
  H        15.2830529282       12.4086646777       13.8907038497
  O        17.0523198441       15.1758768245       13.8846878900
  H        17.4965621259       14.6243049361       13.2143692891
  O        13.1670048503       15.0604733505       14.2304881718
  H        12.4276725427       15.1640937796       14.8527972844
  O        15.5278099333       15.1771646944       16.0870478664
  H        15.0146741251       15.2704383968       16.9089344552
  H        17.5352505141       15.0611990905       14.7269723181
  H        13.9826481723       13.0503649341       13.3023983383
  H        15.8534038740       17.5039241407       13.2803131469
      14
 i =      892, E =     -1643.7395990209
 Fe        14.9429612116       15.1729049614       14.3596710369
  O        15.0589050422       16.9385497440       13.2988647678
  H        14.2692818991       17.4966789116       13.1723681205
  O        14.9443758274       13.1946970950       13.4210447367
  H        15.2830518585       12.4086649630       13.8907046767
  O        17.0523197645       15.1758769440       13.8846882743
  H        17.4965611290       14.6243028941       13.2143701664
  O        13.1670049180       15.0604733394       14.2304881250
  H        12.4276576126       15.1640986638       14.8527770338
  O        15.5278096940       15.1771647077       16.0870480603
  H        15.0146680499       15.2704338463       16.9089317736
  H        17.5352503240       15.0611993697       14.7269724312
  H        13.9826479830       13.0503658231       13.3023981337
  H        15.8534052646       17.5039224595       13.2803137080
      14
 i =      893, E =     -1643.7395990295
 Fe        14.9429604648       15.1729049188       14.3596696129
  O        15.0589057827       16.9385498024       13.2988648882
  H        14.2692830278       17.4966810771       13.1723701890
  O        14.9443763393       13.1946969393       13.4210450079
  H        15.2830508506       12.4086653596       13.8907053223
  O        17.0523197651       15.1758770268       13.8846889041
  H        17.4965602869       14.6243009942       13.2143708781
  O        13.1670047096       15.0604734513       14.2304873468
  H        12.4276443201       15.1641029943       14.8527591059
  O        15.5278094219       15.1771645782       16.0870482295
  H        15.0146625962       15.2704298189       16.9089294977
  H        17.5352500244       15.0611996489       14.7269723035
  H        13.9826475672       13.0503665904       13.3023979279
  H        15.8534063248       17.5039208222       13.2803142154
      14
 i =      894, E =     -1643.7395990510
 Fe        14.9429606713       15.1729048929       14.3596709893
  O        15.0589058274       16.9385498348       13.2988648611
  H        14.2692843771       17.4966830841       13.1723722907
  O        14.9443763328       13.1946970057       13.4210450058
  H        15.2830499559       12.4086655086       13.8907061394
  O        17.0523197540       15.1758770104       13.8846888891
  H        17.4965593156       14.6242992507       13.2143717861
  O        13.1670052238       15.0604733462       14.2304872750
  H        12.4276307607       15.1641074009       14.8527411202
  O        15.5278092761       15.1771646318       16.0870483741
  H        15.0146571281       15.2704257403       16.9089271115
  H        17.5352498825       15.0611998911       14.7269724693
  H        13.9826474596       13.0503673984       13.3023977441
  H        15.8534076438       17.5039193626       13.2803147263
      14
 i =      895, E =     -1643.7395989248
 Fe        14.9429601443       15.1729049100       14.3596692888
  O        15.0589056597       16.9385497903       13.2988649212
  H        14.2692858451       17.4966849940       13.1723743965
  O        14.9443758065       13.1946973367       13.4210448247
  H        15.2830491615       12.4086653913       13.8907071070
  O        17.0523196676       15.1758768698       13.8846884514
  H        17.4965582502       14.6242976352       13.2143728227
  O        13.1670057293       15.0604733573       14.2304862296
  H        12.4276171103       15.1641117848       14.8527235557
  O        15.5278088842       15.1771645609       16.0870489586
  H        15.0146518389       15.2704216850       16.9089245802
  H        17.5352499183       15.0612000917       14.7269729218
  H        13.9826477253       13.0503682721       13.3023976195
  H        15.8534091128       17.5039180372       13.2803152233
      14
 i =      896, E =     -1643.7395990103
 Fe        14.9429601975       15.1729048465       14.3596711240
  O        15.0589057408       16.9385497913       13.2988649189
  H        14.2692871508       17.4966869144       13.1723764268
  O        14.9443757707       13.1946974136       13.4210448203
  H        15.2830483073       12.4086654669       13.8907079415
  O        17.0523196547       15.1758768912       13.8846884282
  H        17.4965572924       14.6242959529       13.2143736939
  O        13.1670064485       15.0604732411       14.2304862065
  H        12.4276038836       15.1641160809       14.8527061477
  O        15.5278087612       15.1771646275       16.0870492737
  H        15.0146465700       15.2704177084       16.9089221613
  H        17.5352498481       15.0612003185       14.7269731948
  H        13.9826477406       13.0503690955       13.3023974607
  H        15.8534104337       17.5039166648       13.2803157049
      14
 i =      897, E =     -1643.7395989266
 Fe        14.9429601459       15.1729049131       14.3596701630
  O        15.0589066848       16.9385498936       13.2988650551
  H        14.2692881685       17.4966890889       13.1723784293
  O        14.9443765287       13.1946971065       13.4210451984
  H        15.2830472709       12.4086659946       13.8907084969
  O        17.0523196777       15.1758770455       13.8846893164
  H        17.4965565236       14.6242939900       13.2143742996
  O        13.1670058644       15.0604733840       14.2304855576
  H        12.4275909990       15.1641203175       14.8526883763
  O        15.5278085827       15.1771644758       16.0870493408
  H        15.0146411343       15.2704137539       16.9089200097
  H        17.5352494636       15.0612006182       14.7269729400
  H        13.9826471551       13.0503698245       13.3023972337
  H        15.8534113820       17.5039149798       13.2803162090
      14
 i =      898, E =     -1643.7395990480
 Fe        14.9429602789       15.1729049879       14.3596703844
  O        15.0589069783       16.9385499634       13.2988646769
  H        14.2692891847       17.4966914642       13.1723806486
  O        14.9443772104       13.1946965312       13.4210452100
  H        15.2830461833       12.4086665946       13.8907092286
  O        17.0523199872       15.1758774742       13.8846898297
  H        17.4965557345       14.6242916894       13.2143747020
  O        13.1670060063       15.0604730663       14.2304875576
  H        12.4275775394       15.1641249775       14.8526681390
  O        15.5278084843       15.1771648226       16.0870505026
  H        15.0146354394       15.2704092906       16.9089169123
  H        17.5352490022       15.0612009392       14.7269728359
  H        13.9826464434       13.0503706368       13.3023969490
  H        15.8534126418       17.5039132160       13.2803168510
      14
 i =      899, E =     -1643.7395990914
 Fe        14.9429590172       15.1729047216       14.3596696064
  O        15.0589056999       16.9385498675       13.2988647348
  H        14.2692911783       17.4966930535       13.1723828662
  O        14.9443751098       13.1946977665       13.4210443482
  H        15.2830457149       12.4086656055       13.8907107544
  O        17.0523198213       15.1758768153       13.8846877427
  H        17.4965542025       14.6242905657       13.2143764265
  O        13.1670086058       15.0604728664       14.2304849503
  H        12.4275620782       15.1641296951       14.8526513445
  O        15.5278083134       15.1771647025       16.0870506169
  H        15.0146297805       15.2704051505       16.9089146113
  H        17.5352495370       15.0612010170       14.7269741148
  H        13.9826477416       13.0503717127       13.3023969630
  H        15.8534146483       17.5039122498       13.2803173432
      14
 i =      900, E =     -1643.7395988615
 Fe        14.9429598135       15.1729048452       14.3596708679
  O        15.0589063011       16.9385499132       13.2988647237
  H        14.2692923112       17.4966953747       13.1723850866
  O        14.9443757125       13.1946974657       13.4210445504
  H        15.2830447652       12.4086658960       13.8907115808
  O        17.0523200033       15.1758771235       13.8846883494
  H        17.4965532783       14.6242884345       13.2143771528
  O        13.1670093796       15.0604726180       14.2304860042
  H        12.4275474131       15.1641345197       14.8526315661
  O        15.5278084607       15.1771649694       16.0870514150
  H        15.0146238697       15.2704006385       16.9089116424
  H        17.5352492779       15.0612013593       14.7269741929
  H        13.9826474118       13.0503725852       13.3023967517
  H        15.8534160250       17.5039105518       13.2803178715
      14
 i =      901, E =     -1643.7395989053
 Fe        14.9429599209       15.1729048754       14.3596690132
  O        15.0589076744       16.9385500801       13.2988648667
  H        14.2692932087       17.4966975993       13.1723870507
  O        14.9443771050       13.1946968044       13.4210452649
  H        15.2830434922       12.4086668032       13.8907118979
  O        17.0523199520       15.1758774170       13.8846898832
  H        17.4965526282       14.6242863022       13.2143775447
  O        13.1670080156       15.0604728177       14.2304857714
  H        12.4275349955       15.1641387077       14.8526134309
  O        15.5278083811       15.1771647744       16.0870510085
  H        15.0146182482       15.2703967080       16.9089097767
  H        17.5352487379       15.0612016595       14.7269735758
  H        13.9826464871       13.0503732870       13.3023964782
  H        15.8534166472       17.5039087296       13.2803183835
      14
 i =      902, E =     -1643.7395988508
 Fe        14.9429589471       15.1729047813       14.3596712822
  O        15.0589070160       16.9385501037       13.2988647215
  H        14.2692947927       17.4966995615       13.1723892848
  O        14.9443762949       13.1946972316       13.4210448593
  H        15.2830427504       12.4086665797       13.8907130523
  O        17.0523200485       15.1758772114       13.8846889626
  H        17.4965514327       14.6242846310       13.2143787440
  O        13.1670100596       15.0604724334       14.2304860916
  H        12.4275201600       15.1641434941       14.8525946923
  O        15.5278086028       15.1771650031       16.0870515042
  H        15.0146123223       15.2703923411       16.9089072130
  H        17.5352487795       15.0612019146       14.7269741662
  H        13.9826468446       13.0503741930       13.3023963352
  H        15.8534182708       17.5039073224       13.2803189217
      14
 i =      903, E =     -1643.7395990984
 Fe        14.9429596166       15.1729048513       14.3596714563
  O        15.0589068949       16.9385499985       13.2988648171
  H        14.2692962497       17.4967013835       13.1723912881
  O        14.9443758156       13.1946976109       13.4210446918
  H        15.2830419618       12.4086664270       13.8907140108
  O        17.0523198747       15.1758770330       13.8846885949
  H        17.4965503628       14.6242830858       13.2143798198
  O        13.1670099778       15.0604725133       14.2304844876
  H        12.4275068321       15.1641477817       14.8525777337
  O        15.5278079083       15.1771648757       16.0870520946
  H        15.0146072784       15.2703883690       16.9089045757
  H        17.5352488190       15.0612020820       14.7269745744
  H        13.9826471441       13.0503750405       13.3023962320
  H        15.8534196761       17.5039060937       13.2803194116
      14
 i =      904, E =     -1643.7395991097
 Fe        14.9429589918       15.1729048142       14.3596719680
  O        15.0589079741       16.9385500338       13.2988650327
  H        14.2692971836       17.4967035549       13.1723932236
  O        14.9443767692       13.1946972683       13.4210452252
  H        15.2830408572       12.4086670476       13.8907144983
  O        17.0523197809       15.1758772432       13.8846896872
  H        17.4965496520       14.6242810677       13.2143803449
  O        13.1670095484       15.0604726599       14.2304838793
  H        12.4274940308       15.1641519924       14.8525602107
  O        15.5278079285       15.1771646934       16.0870520248
  H        15.0146017189       15.2703844667       16.9089027113
  H        17.5352484339       15.0612023832       14.7269742436
  H        13.9826464675       13.0503757486       13.3023959902
  H        15.8534204974       17.5039044060       13.2803198970
      14
 i =      905, E =     -1643.7395990922
 Fe        14.9429589181       15.1729047916       14.3596713596
  O        15.0589078204       16.9385500145       13.2988650356
  H        14.2692985088       17.4967053086       13.1723951264
  O        14.9443766001       13.1946974515       13.4210451850
  H        15.2830400492       12.4086670944       13.8907153018
  O        17.0523197588       15.1758771415       13.8846894859
  H        17.4965486730       14.6242795137       13.2143812969
  O        13.1670101068       15.0604725510       14.2304837227
  H        12.4274814375       15.1641560984       14.8525436578
  O        15.5278078023       15.1771647622       16.0870525600
  H        15.0145966921       15.2703806648       16.9089004483
  H        17.5352483711       15.0612025933       14.7269744536
  H        13.9826464791       13.0503765185       13.3023958347
  H        15.8534217497       17.5039031398       13.2803203633
      14
 i =      906, E =     -1643.7395992281
 Fe        14.9429587428       15.1729047829       14.3596716742
  O        15.0589076480       16.9385499969       13.2988651185
  H        14.2692999647       17.4967071224       13.1723971498
  O        14.9443760118       13.1946978204       13.4210450064
  H        15.2830392674       12.4086669431       13.8907162813
  O        17.0523196420       15.1758769771       13.8846890394
  H        17.4965475892       14.6242779265       13.2143823609
  O        13.1670105044       15.0604725871       14.2304825803
  H        12.4274679758       15.1641604315       14.8525264359
  O        15.5278074186       15.1771646584       16.0870530313
  H        15.0145913894       15.2703766644       16.9088980530
  H        17.5352484286       15.0612027853       14.7269749114
  H        13.9826468038       13.0503773967       13.3023957172
  H        15.8534231576       17.5039018589       13.2803208493
      14
 i =      907, E =     -1643.7395990696
 Fe        14.9429584881       15.1729047528       14.3596719107
  O        15.0589078007       16.9385499602       13.2988651601
  H        14.2693012805       17.4967090698       13.1723991851
  O        14.9443760682       13.1946978843       13.4210450807
  H        15.2830383522       12.4086670597       13.8907171085
  O        17.0523196051       15.1758770103       13.8846891223
  H        17.4965465959       14.6242761520       13.2143832564
  O        13.1670112041       15.0604724849       14.2304824741
  H        12.4274543596       15.1641648781       14.8525085376
  O        15.5278073342       15.1771647155       16.0870535825
  H        15.0145859124       15.2703725516       16.9088956463
  H        17.5352483560       15.0612030261       14.7269751279
  H        13.9826467760       13.0503782460       13.3023955477
  H        15.8534244417       17.5039004484       13.2803213397
      14
 i =      908, E =     -1643.7395992144
 Fe        14.9429586591       15.1729047836       14.3596714366
  O        15.0589085856       16.9385500529       13.2988652901
  H        14.2693023493       17.4967111452       13.1724011489
  O        14.9443766932       13.1946976519       13.4210454160
  H        15.2830373265       12.4086675062       13.8907177187
  O        17.0523196190       15.1758771103       13.8846898541
  H        17.4965457476       14.6242742367       13.2143839530
  O        13.1670107352       15.0604726035       14.2304819085
  H        12.4274413877       15.1641691520       14.8524907857
  O        15.5278071539       15.1771645834       16.0870537020
  H        15.0145804141       15.2703685647       16.9088935122
  H        17.5352480416       15.0612033141       14.7269749505
  H        13.9826463023       13.0503790094       13.3023953276
  H        15.8534254266       17.5038988403       13.2803218352
      14
 i =      909, E =     -1643.7395990755
 Fe        14.9429581963       15.1729047310       14.3596719105
  O        15.0589086717       16.9385500715       13.2988652670
  H        14.2693036364       17.4967131060       13.1724031710
  O        14.9443767457       13.1946976886       13.4210454445
  H        15.2830364149       12.4086676852       13.8907185210
  O        17.0523196305       15.1758771151       13.8846898904
  H        17.4965447665       14.6242724447       13.2143848514
  O        13.1670114462       15.0604724635       14.2304819612
  H        12.4274278634       15.1641735857       14.8524728593
  O        15.5278070772       15.1771646672       16.0870540573
  H        15.0145748956       15.2703644618       16.9088911538
  H        17.5352478929       15.0612035704       14.7269750803
  H        13.9826461490       13.0503798245       13.3023951374
  H        15.8534266768       17.5038973934       13.2803223428
      14
 i =      910, E =     -1643.7395990708
 Fe        14.9429581552       15.1729047523       14.3596714454
  O        15.0589082798       16.9385500108       13.2988653380
  H        14.2693050913       17.4967147693       13.1724050988
  O        14.9443759171       13.1946981730       13.4210451338
  H        15.2830357282       12.4086673867       13.8907195569
  O        17.0523194959       15.1758769127       13.8846891947
  H        17.4965436728       14.6242709774       13.2143859284
  O        13.1670118587       15.0604725041       14.2304806711
  H        12.4274149491       15.1641777423       14.8524564611
  O        15.5278066011       15.1771645593       16.0870546805
  H        15.0145698889       15.2703606172       16.9088887416
  H        17.5352480444       15.0612037342       14.7269756914
  H        13.9826466250       13.0503807039       13.3023950437
  H        15.8534281599       17.5038962715       13.2803228048
      14
 i =      911, E =     -1643.7395991019
 Fe        14.9429577814       15.1729046841       14.3596717753
  O        15.0589084127       16.9385499744       13.2988653472
  H        14.2693064196       17.4967167449       13.1724071715
  O        14.9443759856       13.1946982155       13.4210451853
  H        15.2830348005       12.4086674822       13.8907204291
  O        17.0523194938       15.1758769795       13.8846892535
  H        17.4965426450       14.6242691412       13.2143868313
  O        13.1670127995       15.0604723536       14.2304808400
  H        12.4274009938       15.1641823179       14.8524380330
  O        15.5278065552       15.1771646673       16.0870552522
  H        15.0145642530       15.2703563744       16.9088862094
  H        17.5352479900       15.0612039862       14.7269759719
  H        13.9826466150       13.0503815979       13.3023948723
  H        15.8534295152       17.5038948511       13.2803233041
      14
 i =      912, E =     -1643.7395992901
 Fe        14.9429582239       15.1729047546       14.3596718863
  O        15.0589095359       16.9385501300       13.2988654833
  H        14.2693072753       17.4967188029       13.1724089975
  O        14.9443769554       13.1946977886       13.4210456527
  H        15.2830337499       12.4086681029       13.8907208937
  O        17.0523195574       15.1758771565       13.8846903451
  H        17.4965419218       14.6242671985       13.2143873592
  O        13.1670119852       15.0604725130       14.2304802532
  H        12.4273888300       15.1641863613       14.8524210840
  O        15.5278063788       15.1771644953       16.0870551254
  H        15.0145589609       15.2703525942       16.9088842485
  H        17.5352475531       15.0612042933       14.7269755939
  H        13.9826459023       13.0503822874       13.3023946314
  H        15.8534302867       17.5038932040       13.2803237820
      14
 i =      913, E =     -1643.7395990141
 Fe        14.9429580648       15.1729048350       14.3596719409
  O        15.0589097855       16.9385501880       13.2988650707
  H        14.2693082522       17.4967210566       13.1724110760
  O        14.9443776345       13.1946972368       13.4210456698
  H        15.2830326630       12.4086687326       13.8907215819
  O        17.0523198726       15.1758775413       13.8846908068
  H        17.4965411298       14.6242649532       13.2143878087
  O        13.1670124418       15.0604721385       14.2304821689
  H        12.4273756475       15.1641909324       14.8524015944
  O        15.5278063579       15.1771648680       16.0870562040
  H        15.0145533294       15.2703482422       16.9088813698
  H        17.5352470833       15.0612046232       14.7269754301
  H        13.9826451727       13.0503830447       13.3023943466
  H        15.8534314132       17.5038915017       13.2803244081
      14
 i =      914, E =     -1643.7395989370
 Fe        14.9429568068       15.1729045698       14.3596711321
  O        15.0589082582       16.9385500242       13.2988651644
  H        14.2693101909       17.4967223459       13.1724130570
  O        14.9443752253       13.1946986347       13.4210446897
  H        15.2830323401       12.4086675395       13.8907231549
  O        17.0523196385       15.1758768667       13.8846885124
  H        17.4965396187       14.6242640020       13.2143895212
  O        13.1670148583       15.0604719752       14.2304797350
  H        12.4273614745       15.1641952758       14.8523862804
  O        15.5278061016       15.1771647643       16.0870566772
  H        15.0145482040       15.2703444045       16.9088791029
  H        17.5352477503       15.0612046615       14.7269768660
  H        13.9826467047       13.0503841091       13.3023943995
  H        15.8534334269       17.5038908025       13.2803248431
      14
 i =      915, E =     -1643.7395990776
 Fe        14.9429568166       15.1729045719       14.3596711384
  O        15.0589082700       16.9385500255       13.2988651637
  H        14.2693101758       17.4967223358       13.1724130415
  O        14.9443752439       13.1946986239       13.4210446973
  H        15.2830323426       12.4086675488       13.8907231426
  O        17.0523196403       15.1758768719       13.8846885302
  H        17.4965396305       14.6242640096       13.2143895079
  O        13.1670148395       15.0604719765       14.2304797538
  H        12.4273615855       15.1641952418       14.8523864007
  O        15.5278061036       15.1771647651       16.0870566735
  H        15.0145482442       15.2703444346       16.9088791207
  H        17.5352477451       15.0612046612       14.7269768548
  H        13.9826466929       13.0503841008       13.3023943991
  H        15.8534334112       17.5038908081       13.2803248396
