     412
 i =        1, E =     -2344.8202060085
  C        14.9870051565       11.9174169335        8.0419903736
  C        16.1304616518       12.7242324705        8.1042857788
  H        14.3582498956       11.9602246599        7.1411259484
  H        16.3494143896       13.3843419669        7.2485900775
  C        36.0216157353       27.2470420973        8.6818870139
  C        37.1768947434       28.0418840738        8.6321901067
  H        35.7806851300       26.6126692706        7.8109380066
  H        37.7922363565       28.0276841499        7.7149677921
  N         7.1505098498        5.8777856968        0.4499851793
  C         7.7223468170        6.6757050045        9.0298575865
  C         9.0085293315        7.3901552038        9.2624845872
  C         9.7389335275        7.2946575132        1.0169929675
  C         9.5869151545        8.2235852773        8.2578002185
  C        19.4202663426       13.3783674087        9.4338387520
  C        16.9870390879       12.7309105821        9.2361307328
  C        18.0846678071       13.7481578117        9.3568016575
  C        14.6008684272       11.0621789217        9.1267687944
  C        17.7228476975       15.0920769694        9.3887208088
  C        19.8580094405       12.0188179202        9.4389263304
  C        16.3850975417       15.5309146487        9.4279641932
  H         7.2822922465        6.8608155078        8.0253271988
  H         9.3396985682        6.6786531638        1.8396462037
  H         9.0780785369        8.3289472507        7.2825630283
  H        19.2098679185       11.1604699153        9.4021992484
  C        26.0860642713       20.4789678251        8.0419904176
  C        24.9426078756       19.6721523326        8.1042858523
  H        26.7148186312       20.4361613252        7.1411262238
  H        24.7236544490       19.0120439687        7.2485902013
  C         5.0514548160        5.1493420781        8.6818874478
  C         3.8961751841        4.3544991589        8.6321902874
  H         5.2923839753        5.7837157866        7.8109380750
  H         3.2808328645        4.3687009395        7.7149677171
  N        33.9225539243       26.5186092085        0.4499850393
  C        33.3507231839       25.7206783578        9.0298575595
  C        32.0645409336       25.0062278223        9.2624845689
  C        31.3341304891       25.1017367238        1.0169929698
  C        31.4861542868       24.1727991166        8.2578003144
  C        21.6528041514       19.0180151881        9.4338420851
  C        24.0860314193       19.6654726786        9.2361308883
  C        22.9884019775       18.6482256857        9.3568027677
  C        26.4722017365       21.3342043351        9.1267688594
  C        23.3502226650       17.3043053384        9.3887183938
  C        21.2150606102       20.3775653215        9.4389262016
  C        24.6879735739       16.8654686464        9.4279645058
  H        33.7907770317       25.5355693113        8.0253273627
  H        31.7333660400       25.7177398470        1.8396459117
  H        31.9949901434       24.0674385670        7.2825633624
  H        21.8632023674       21.2359128505        9.4021987022
  C        26.0860659251       11.9174224856        1.4208944800
  C        24.9426036900       12.7242330749        1.3585962167
  H        26.7148219664       11.9602277248        2.3217575425
  H        24.7236570649       13.3843451198        2.2142930802
  C         5.0514383408       27.2470475354        0.7809966617
  C         3.8961576680       28.0418896349        0.8306939077
  H         5.2923696003       26.6126733398        1.6519461295
  H         3.2808166745       28.0276882348        1.7479162981
  N        33.9225693930        5.8777794455        9.0128982380
  C        33.3507302975        6.6757113056        0.4330261234
  C        32.0645485885        7.3901609499        0.2003995490
  C        31.3341430906        7.2946517270        8.4458929149
  C        31.4861600973        8.2235899777        1.2050849226
  C        21.6528660100       13.3782702829        0.0290579523
  C        24.0860386194       12.7309097971        0.2267531878
  C        22.9883981270       13.7481635703        0.1060893799
  C        26.4722033811       11.0621854303        0.3361147238
  C        23.3502752293       15.0920241991        0.0741518529
  C        21.2151274853       12.0187840433        0.0239530073
  C        24.6880082553       15.5308721436        0.0349260212
  H        33.7907859093        6.8608200454        1.4375573877
  H        31.7333798044        6.6786487988        7.6232375580
  H        31.9949977049        8.3289507260        2.1803219330
  H        21.8631994551       11.1604858783        0.0606845893
  C        14.9869984476       20.4789712577        1.4208944459
  C        16.1304605983       19.6721609049        1.3585961531
  H        14.3582432596       20.4361647901        2.3217573514
  H        16.3494079247       19.0120475915        2.2142930182
  C        36.0216251560        5.1493473538        0.7809964088
  C        37.1769056797        4.3545042397        0.8306935591
  H        35.7806950004        5.7837202589        1.6519463445
  H        37.7922481021        4.3687049801        1.7479166529
  N         7.1505008719       26.5186035588        9.0128986416
  C         7.7223331562       25.7206840149        0.4330260092
  C         9.0085150636       25.0062343062        0.2003995041
  C         9.7389265915       25.1017324997        8.4458929641
  C         9.5869041597       24.1728040551        1.2050847571
  C        19.4201973416       19.0181250533        0.0290544233
  C        16.9870247451       19.6654855991        0.2267531072
  C        18.0846658586       18.6482324524        0.1060886208
  C        14.6008602646       21.3342097405        0.3361146772
  C        17.7227881585       17.3043709035        0.0741553078
  C        19.8579362915       20.3776119685        0.0239531677
  C        16.3850545537       16.8655240456        0.0349251359
  H         7.2822787309       25.5355737373        1.4375570210
  H         9.3396894620       25.7177362756        7.6232379940
  H         9.0780674748       24.0674420187        2.1803215068
  H        19.2098640566       21.2359095828        0.0606847653
  C         5.5498544448        4.2811405133        1.4208387752
  C         4.4064524982        3.4724136567        1.3585746785
  H         6.1783103703        4.2378216297        2.3217733758
  H         4.1872789476        2.8137585470        2.2143078295
  C        25.5883725980       21.3476200466        0.7806790786
  C        24.4325453391       20.5522019145        0.8303616240
  H        25.8289236163       21.9819056778        1.6519049197
  H        23.8173837504       20.5668706067        1.7479268890
  N        13.3859116728       10.3205027291        9.0127988083
  C        12.8139805939        9.5223824147        0.4329477679
  C        11.5280745428        8.8080384047        0.2004900032
  C        10.7976043813        8.9035603086        8.4458723180
  C        10.9496717633        7.9746603494        1.2050962414
  C         1.1153885674        2.8204289890        0.0289053615
  C         3.5504360942        3.4659161562        0.2262285756
  C         2.4526130999        2.4484494466        0.1060568161
  C         5.9357340368        5.1358122250        0.3366724844
  C         2.8133101157        1.1105670504        0.0752576893
  C         0.6794060868        4.1788810382        0.0238849117
  C         4.1673958660        0.6771724608        0.0357159275
  H        13.2542588390        9.3373514433        1.4375472471
  H        11.1968233623        9.5194988716        7.6232328968
  H        11.4584567509        7.8692243802        2.1803280459
  H         1.3266805523        5.0377735326        0.0606758799
  C        35.5232099727       28.1152529345        1.4208383816
  C        36.6666124321       28.9239816676        1.3585771097
  H        34.8947549732       28.1585713187        2.3217727958
  H        36.8857845331       29.5826345706        2.2143079950
  C        15.4846913404       11.0487745518        0.7806791246
  C        16.6405186682       11.8441926795        0.8303615603
  H        15.2441408877       10.4144875439        1.6519052136
  H        17.2556810505       11.8295226568        1.7479271354
  N        27.6871584833       22.0758809162        9.0127990821
  C        28.2590829153       22.8740125356        0.4329477698
  C        29.5449890152       23.5883570040        0.2004899433
  C        30.2754653506       23.4928238868        8.4458723469
  C        30.1233925018       24.4217337241        1.2050961339
  C        39.9576742154       29.5759649988        0.0288921651
  C        37.5226267393       28.9304805320        0.2262276312
  C        38.6204515671       29.9479446307        0.1060467389
  C        35.1373292229       27.2605831610        0.3366737279
  C        38.2597599272       31.2858308581        0.0752812681
  C        40.3936574089       28.2175144530        0.0238949258
  C        36.9056613315       31.7192234620        0.0357035915
  H        27.8188057763       23.0590422146        1.4375468775
  H        29.8762458532       22.8768866663        7.6232332509
  H        29.6146083975       24.5271683004        2.1803276606
  H        39.7463831802       27.3586226267        0.0606679754
  C        35.5232266534        4.2811361192        8.0420454488
  C        36.6666294255        3.4724089092        8.1043091851
  H        34.8947702615        4.2378183966        7.1411102062
  H        36.8858036721        2.8137550945        7.2485760368
  C        15.4846878650       21.3476148873        8.6822045429
  C        16.6405145387       20.5521900003        8.6325238591
  H        15.2441364671       21.9819017768        7.8109796301
  H        17.2556777310       20.5668676421        7.7149585347
  N        27.6871619365       10.3205085101        0.4500847811
  C        28.2590936477        9.5223767779        9.0299361983
  C        29.5450006540        8.8080324581        9.2623936642
  C        30.2754705715        8.9035643249        1.0170134529
  C        30.1234041848        7.9746556082        8.2577890337
  C        39.9576938671        2.8204225375        9.4339892309
  C        37.5226462953        3.4659098989        9.2366551116
  C        38.6204701459        2.4484443584        9.3568226368
  C        35.1373455069        5.1358064167        9.1262114063
  C        38.2597781301        1.1105602688        9.3876118993
  C        40.3936753332        4.1788748510        9.4389946250
  C        36.9056872354        0.6771628407        9.4271648247
  H        27.8188160536        9.3373468662        8.0253368437
  H        29.8762512365        9.5195028155        1.8396515336
  H        29.6146195348        7.8692208889        7.2825561621
  H        39.7463991353        5.0377675045        9.4022174691
  C         5.5498427833       28.1152483979        8.0420458524
  C         4.4064394590       28.9239773253        8.1043071505
  H         6.1782979484       28.1585680169        7.1411111382
  H         4.1872665559       29.5826311768        7.2485758931
  C        25.5883819951       11.0487690012        8.6822045104
  C        24.4325552477       11.8441940256        8.6325239318
  H        25.8289328162       10.4144831399        7.8109794116
  H        23.8173913188       11.8295175363        7.7149583492
  N        13.3859016558       22.0758867820        0.4500844957
  C        12.8139766738       22.8740065012        9.0299362014
  C        11.5280694703       23.5883507306        9.2623937487
  C        10.7975934897       23.4928299610        1.0170133944
  C        10.9496653222       24.4217289215        8.2577891610
  C         1.1153748120       29.5759596948        9.4339816023
  C         3.5504254110       28.9304742780        9.2366567934
  C         2.4525997641       29.9479396872        9.3568419507
  C         5.9357245177       27.2605773013        9.1262103789
  C         2.8132932261       31.2858257054        9.3876172098
  C         0.6793944734       28.2175094603        9.4389934946
  C         4.1673862354       31.7192135500        9.4271836060
  H        13.2542531672       23.0590378641        8.0253371754
  H        11.1968133594       22.8768905595        1.8396511757
  H        11.4584491117       24.5271648652        7.2825565903
  H         1.3266706304       27.3586161661        9.4022066599
  N        20.5365968896       18.1770150161        0.0000023353
  N        20.5364663927       14.2193806684       -0.0000003085
  N        -0.0000177925       30.4160143965        0.0000262926
  N        -0.0000038117        1.9803811572       -0.0000264363
  N        18.5681188226       16.1980719992       -0.0000211138
  N        22.5049449013       16.1983225313       -0.0000024605
  N         1.9692789009       -0.0000003195       -0.0000276415
  N        39.1038023464        0.0000013226        0.0000273203
 Co        20.5365286265       16.1981958575       -0.0000024764
 Co        -0.0000053773       -0.0000042885       -0.0000001021
  C        14.9870310420       11.9174445334        3.3105146474
  C        16.1304253660       12.7240664935        3.3729132855
  H        14.3582116141       11.9602166159        2.4097078257
  H        16.3494257209       13.3843461232        2.5172401999
  C        36.0216195855       27.2470549750        3.9504547317
  C        37.1768816488       28.0419041882        3.9007886066
  H        35.7806827627       26.6126722318        3.0794985407
  H        37.7922455296       28.0276875713        2.9836010003
  N         7.1505071401        5.8777809891        5.1814319220
  C         7.7223700207        6.6757168221        4.2984319406
  C         9.0084969870        7.3901484470        4.5310263074
  C         9.7389478499        7.2946595135        5.7484426752
  C         9.5869227859        8.2235848294        3.5263640276
  C        19.4211172781       13.3775105058        4.7024661387
  C        16.9871993654       12.7310570770        4.5047059036
  C        18.0841342684       13.7495396155        4.6253926826
  C        14.6008255802       11.0621655684        4.3953017269
  C        17.7248034583       15.0920677627        4.6572087111
  C        19.8573457278       12.0192123843        4.7074838815
  C        16.3826351777       15.5335344695        4.6966397554
  H         7.2822885630        6.8608192522        3.2938838669
  H         9.3396947507        6.6786458473        6.5710840614
  H         9.0780704357        8.3289512412        2.5511272613
  H        19.2098736862       11.1604673085        4.6707555973
  C        26.0860348494       20.4789466305        3.3105146654
  C        24.9426406131       19.6723246130        3.3729131920
  H        26.7148533643       20.4361757784        2.4097081007
  H        24.7236395381       19.0120462312        2.5172404334
  C         5.0514494774        5.1493366958        3.9504551746
  C         3.8961853213        4.3544841568        3.9007886433
  H         5.2923827431        5.7837196709        3.0794985095
  H         3.2808193699        4.3687044324        2.9835999759
  N        33.9225603570       26.5186078653        5.1814322357
  C        33.3506964237       25.7206728265        4.2984317321
  C        32.0645696052       25.0062409337        4.5310263322
  C        31.3341197832       25.1017283891        5.7484427154
  C        31.4861432861       24.1728059615        3.5263639727
  C        21.6519496957       19.0188788765        4.7024662110
  C        24.0858675190       19.6653325372        4.5047059318
  C        22.9889324686       18.6468497711        4.6253928110
  C        26.4722410036       21.3342240937        4.3953017467
  C        23.3482634497       17.3043215712        4.6572083668
  C        21.2157211372       20.3771769524        4.7074838871
  C        24.6904317194       16.8628549024        4.6966398418
  H        33.7907771420       25.5355720453        3.2938840052
  H        31.7333734245       25.7177407909        6.5710838870
  H        31.9949946666       24.0674409923        2.5511275549
  H        21.8631930533       21.2359218548        4.6707555823
  C        26.0860410136       11.9174426825        6.1523695544
  C        24.9426447047       12.7240659673        6.0899709923
  H        26.7148598410       11.9602135281        7.0531761473
  H        24.7236455016       13.3843428472        6.9456435681
  C         5.0514343622       27.2470539161        5.5124291416
  C         3.8961709135       28.0419030707        5.5620954528
  H         5.2923719598       26.6126699069        6.3833856091
  H         3.2808075221       28.0276852222        6.4792831516
  N        33.9225726907        5.8777806537        4.2814511228
  C        33.3507066696        6.6757174102        5.1644520899
  C        32.0645783743        7.3901552679        4.9318754710
  C        31.3341343669        7.2946623916        3.7144559427
  C        31.4861425997        8.2235714175        5.9365551785
  C        21.6519512512       13.3775109486        4.7604998934
  C        24.0858740133       12.7310549944        4.9581782335
  C        22.9889366935       13.7495396635        4.8374969079
  C        26.4722464514       11.0621656783        5.0675822281
  C        23.3482652027       15.0920681172        4.8056715003
  C        21.2157263841       12.0192120055        4.7554041956
  C        24.6904316480       15.5335339952        4.7661502047
  H        33.7907897631        6.8608171267        6.1690006514
  H        31.7333820603        6.6786489446        2.8917991074
  H        31.9950171471        8.3289517103        6.9117820757
  H        21.8631991218       11.1604674696        4.7921278803
  C        14.9870268994       20.4789446370        6.1523695476
  C        16.1304231244       19.6723214754        6.0899710825
  H        14.3582089343       20.4361725680        7.0531759591
  H        16.3494230655       19.0120434492        6.9456434088
  C        36.0216306550        5.1493355925        5.5124288547
  C        37.1768955299        4.3544831021        5.5620953242
  H        35.7806962429        5.7837176921        6.3833859159
  H        37.7922615175        4.3687020446        6.4792843660
  N         7.1504938361       26.5186091367        4.2814510850
  C         7.7223603577       25.7206713540        5.1644521638
  C         9.0084889310       25.0062335238        4.9318753886
  C         9.7389317083       25.1017283236        3.7144559537
  C         9.5869250404       24.1728161792        5.9365551590
  C        19.4211156238       19.0188783392        4.7604997874
  C        16.9871929801       19.6653339362        4.9581781966
  C        18.0841303863       18.6468494282        4.8374967834
  C        14.6008207670       21.3342230730        5.0675822213
  C        17.7248017281       17.3043210392        4.8056718583
  C        19.8573405814       20.3771772616        4.7554041965
  C        16.3826353123       16.8628553346        4.7661501242
  H         7.2822784506       25.5355703025        6.1690003057
  H         9.3396836390       25.7177425854        2.8917994291
  H         9.0780516096       24.0674346209        6.9117816876
  H        19.2098679342       21.2359215603        4.7921278867
  C         5.5498406063        4.2811365486        6.1522647482
  C         4.4064411233        3.4724107034        6.0899932204
  H         6.1783116495        4.2378186703        7.0532134274
  H         4.1872840424        2.8137580058        6.9457451801
  C        25.5883664433       21.3476179206        5.5121663047
  C        24.4326969149       20.5522248814        5.5616863712
  H        25.8289501924       21.9819267799        6.3833277421
  H        23.8173447105       20.5668697477        6.4792428122
  N        13.3859379607       10.3204991345        4.2813727578
  C        12.8139789963        9.5223778492        5.1643915072
  C        11.5280942238        8.8080381395        4.9319592763
  C        10.7975877571        8.9035424384        3.7144426099
  C        10.9496345200        7.9746716008        5.9365525360
  C         1.1153996480        2.8204145942        4.7604321528
  C         3.5504424606        3.4659116300        4.9576799156
  C         2.4526318108        2.4483944848        4.8375167174
  C         5.9357332358        5.1358040970        5.0681180323
  C         2.8134036733        1.1105792428        4.8066809839
  C         0.6794131987        4.1788696667        4.7553281465
  C         4.1672191107        0.6769848910        4.7670741921
  H        13.2542620678        9.3373476612        6.1689797347
  H        11.1968242190        9.5195022078        2.8918000472
  H        11.4584751618        7.8692176760        6.9117878467
  H         1.3266805660        5.0377678995        4.7921163764
  C        35.5232246189       28.1152498269        6.1522642592
  C        36.6666266772       28.9239773825        6.0899904753
  H        34.8947564543       28.1585676344        7.0532139407
  H        36.8857853359       29.5826282391        6.9457485630
  C        15.4847010393       11.0487703287        5.5121662477
  C        16.6403707116       11.8441633452        5.5616863958
  H        15.2441178735       10.4144600315        6.3833280144
  H        17.2557236413       11.8295171390        6.4792430073
  N        27.6871286651       22.0758909178        4.2813730495
  C        28.2590879176       22.8740106440        5.1643916140
  C        29.5449730556       23.5883509175        4.9319591437
  C        30.2754783786       23.4928481332        3.7144426120
  C        30.1234332002       24.4217160585        5.9365524996
  C        39.9576670078       29.5759717783        4.7604229779
  C        37.5226255528       28.9304819279        4.9576737801
  C        38.6204383615       29.9479927432        4.8374829861
  C        35.1373331089       27.2605843685        5.0681197649
  C        38.2596768015       31.2858196800        4.8067112608
  C        40.3936540169       28.2175202943        4.7553459327
  C        36.9058281965       31.7193998159        4.7670456592
  H        27.8188060972       23.0590395831        6.1689793788
  H        29.8762414586       22.8768897489        2.8918003654
  H        29.6145935627       24.5271685866        6.9117875145
  H        39.7463869221       27.3586220326        4.7921113718
  C        35.5232403746        4.2811384010        3.3106192685
  C        36.6666407163        3.4724122867        3.3728906138
  H        34.8947690028        4.2378218364        2.4096701531
  H        36.8857985703        2.8137610414        2.5171386372
  C        15.4846943629       21.3476190194        3.9507177396
  C        16.6403659101       20.5522254002        3.9011969228
  H        15.2441100956       21.9819287819        3.0795561862
  H        17.2557166227       20.5668724265        2.9836412806
  N        27.6871365093       10.3204982530        5.1815108548
  C        28.2590944721        9.5223793680        4.2984923554
  C        29.5449793785        8.8080456302        4.5309424843
  C        30.2754923820        8.9035427042        5.7484561685
  C        30.1234308990        7.9746614829        3.5263662850
  C        39.9576804006        2.8204135390        4.7025436049
  C        37.5226405412        3.4659114419        4.5052035564
  C        38.6204519632        2.4483962673        4.6253678854
  C        35.1373461615        5.1358048221        4.3947657903
  C        38.2596859242        1.1105797886        4.6561855078
  C        40.3936686498        4.1788701348        4.7075561913
  C        36.9058635609        0.6769805379        4.6957140795
  H        27.8188130195        9.3373493357        3.2939039947
  H        29.8762489029        9.5195007619        6.5710840269
  H        29.6146126418        7.8692240195        2.5511204769
  H        39.7463991273        5.0377680974        4.6707755744
  C         5.5498281775       28.1152518589        3.3106198194
  C         4.4064253154       28.9239795403        3.3728935117
  H         6.1782964458       28.1585707652        2.4096699841
  H         4.1872657884       29.5826312445        2.5171353190
  C        25.5883719579       11.0487713437        3.9507178086
  C        24.4327002638       11.8441650943        3.9011969158
  H        25.8289556263       10.4144625536        3.0795559860
  H        23.8173488744       11.8295191986        2.9836411353
  N        13.3859306220       22.0758906096        5.1815105583
  C        12.8139724288       22.8740102927        4.2984922543
  C        11.5280870414       23.5883440289        4.5309426354
  C        10.7975752676       23.4928451327        5.7484561384
  C        10.9496351445       24.4217294647        3.5263663430
  C         1.1153845461       29.5759742053        4.7025336297
  C         3.5504259826       28.9304823772        4.5052103868
  C         2.4526123637       29.9479931409        4.6254114379
  C         5.9357208306       27.2605847838        4.3947642759
  C         2.8133739558       31.2858199801        4.6561826822
  C         0.6793973741       28.2175213334        4.7075457663
  C         4.1672202803       31.7193968507        4.6957449445
  H        13.2542526510       23.0590418102        3.2939043140
  H        11.1968192314       22.8768862025        6.5710837031
  H        11.4584524296       24.5271681461        2.5511208547
  H         1.3266669178       27.3586221602        4.6707636033
  N        20.5365319228       18.1785084569        4.7314474908
  N        20.5365349543       14.2178808698        4.7314474303
  N        -0.0000172508       30.4160169880        4.7314714978
  N        -0.0000004677        1.9803717444        4.7314236140
  N        18.5676091930       16.1981946785        4.7314432397
  N        22.5054580331       16.1981946326        4.7314444905
  N         1.9693594688       -0.0000058000        4.7313618129
  N        39.1037251645       -0.0000054585        4.7315264791
 Co        20.5365317284       16.1981946305        4.7314458487
 Co         0.0000088772       -0.0000126168        4.7314353017
  H        25.5293367400       17.5171819879        9.4074592247
  H        25.5293246709       14.8792108527        0.0554232205
  H        15.5437335140       14.8792006379        9.4074613229
  H        15.5437387842       17.5171845258        0.0554251702
  H        15.5437235448       17.5170746692        4.7865846610
  H        15.5437254793       14.8793154342        4.6761095122
  H        25.5293434172       14.8793144516        4.7865845319
  H        25.5293412808       17.5170737741        4.6761093838
     412
 i =        2, E =     -2344.9127119185
  C        14.9646304515       11.9129993534        8.0970117121
  C        16.1115654479       12.7225408431        8.1560507932
  H        14.3441480168       11.9570109233        7.1892056486
  H        16.3308572009       13.3774153563        7.2964735511
  C        35.9899458396       27.2291739669        8.7352356807
  C        37.1429540715       28.0254596562        8.6865443149
  H        35.7486515351       26.6011697333        7.8615582792
  H        37.7532644324       28.0117702083        7.7666140628
  N         7.1532420567        5.8832469660        0.4529813759
  C         7.7005213131        6.6606923275        9.0842347996
  C         9.0034487454        7.3878145645        9.3186789634
  C         9.7337000400        7.2856511526        1.0134044911
  C         9.5691642362        8.2263170709        8.3148951207
  C        19.4050845931       13.3731679984        9.4828515277
  C        16.9603653634       12.7202581013        9.2880823073
  C        18.0704190888       13.7418548131        9.4069962911
  C        14.5879055021       11.0556776002        9.1824823789
  C        17.7120515921       15.0851744212        9.4410130491
  C        19.8427734655       12.0041598233        9.4896068607
  C        16.3614912913       15.5153959652        9.4777081988
  H         7.2761268601        6.8570278991        8.0706444678
  H         9.3336747344        6.6738998920        1.8400043247
  H         9.0693225571        8.3301167342        7.3370400046
  H        19.1882844059       11.1541198265        9.4534182772
  C        26.0675310436       20.4686294170        8.0970115515
  C        24.9205962416       19.6590885443        8.1560510682
  H        26.6880139440       20.4246192477        7.1892051711
  H        24.7013036854       19.0042128809        7.2964713816
  C         5.0422177436        5.1524543769        8.7352364736
  C         3.8892058028        4.3561631565        8.6865445537
  H         5.2835092954        5.7804592733        7.8615586024
  H         3.2788970118        4.3698591128        7.7666142049
  N        33.8789264712       26.4983985747        0.4529817098
  C        33.3316385895       25.7209335876        9.0842346352
  C        32.0287110346       24.9938109341        9.3186790262
  C        31.2984673121       25.0959927584        1.0134046021
  C        31.4629964160       24.1553106230        8.3148950818
  C        21.6270727923       19.0084569990        9.4828522071
  C        24.0717941102       19.6613685529        9.2880840824
  C        22.9617421220       18.6397718961        9.4069988911
  C        26.4442546337       21.3259485003        9.1824826349
  C        23.3201103806       17.2964481527        9.4409965741
  C        21.1893873178       20.3774662755        9.4896041689
  C        24.6706707828       16.8662295567        9.4777093741
  H        33.7560339165       25.5246005009        8.0706445838
  H        31.6984917626       25.7077419893        1.8400040593
  H        31.9628388966       24.0515132263        7.3370402415
  H        21.8438764648       21.2275072249        9.4534169819
  C        26.0675444644       11.9130079011        1.4173267799
  C        24.9205966484       12.7225383811        1.3582854518
  H        26.6880289458       11.9570162903        2.3251311204
  H        24.7013179769       13.3774213148        2.2178627281
  C         5.0421853511       27.2291829235        0.7791009781
  C         3.8891744519       28.0254682410        0.8277924156
  H         5.2834818089       26.6011763696        1.6527786997
  H         3.2788640880       28.0117769810        1.7477235029
  N        33.8789526717        5.8832372271        9.0613553508
  C        33.3316704725        6.6607019468        0.4301014109
  C        32.0287416957        7.3878242709        0.1956581051
  C        31.2984894463        7.2856411863        8.5009343621
  C        31.4630219630        8.2263245898        1.1994434846
  C        21.6271794520       13.3730071393        0.0315171666
  C        24.0718273554       12.7202504975        0.2262559661
  C        22.9617611409       13.7418650927        0.1073612856
  C        26.4442715092       11.0556883921        0.3318526791
  C        23.3202198405       15.0850920036        0.0732870588
  C        21.1895394562       12.0040805713        0.0247160869
  C        24.6707449530       15.5152862502        0.0366459029
  H        33.7560644707        6.8570351891        1.4436917918
  H        31.6985170573        6.6738934763        7.6743333269
  H        31.9628642045        8.3301223618        2.1772975447
  H        21.8439081105       11.1541185979        0.0609192484
  C        14.9646218948       20.4686359808        1.4173266602
  C        16.1115699353       19.6591057558        1.3582853298
  H        14.3441365891       20.4246246489        2.3251321596
  H        16.3308490785       19.0042181564        2.2178648582
  C        35.9899793027        5.1524629963        0.7790999697
  C        37.1429928856        4.3561715427        0.8277917933
  H        35.7486856046        5.7804658634        1.6527776101
  H        37.7533013482        4.3698658866        1.7477217940
  N         7.1532072708       26.4983891456        9.0613541965
  C         7.7004979033       25.7209429977        0.4301015362
  C         9.0034264887       24.9938212286        0.1956584673
  C         9.7336710805       25.0959861272        8.5009343427
  C         9.5691451194       24.1553192553        1.1994433846
  C        19.4049910269       19.0086386916        0.0315155774
  C        16.9603413257       19.6613962244        0.2262533816
  C        18.0704062967       18.6397831575        0.1073605533
  C        14.5878962102       21.3259571410        0.3318528672
  C        17.7119475566       17.2965515766        0.0733011549
  C        19.8426277519       20.3775665116        0.0247170825
  C        16.3614204648       16.8663606408        0.0366439724
  H         7.2761021715       25.5246077906        1.4436927058
  H         9.3336441030       25.7077360810        7.6743329302
  H         9.0693017727       24.0515189652        2.1772981520
  H        19.1882588814       21.2275294051        0.0609196423
  C         5.5520336964        4.2784180190        1.4174608711
  C         4.4057732102        3.4654146684        1.3580643966
  H         6.1723357744        4.2334607925        2.3256976616
  H         4.1853447528        2.8124026118        2.2188233822
  C        25.5586622195       21.3432491835        0.7785969381
  C        24.4049952926       20.5460815590        0.8270397810
  H        25.7995146960       21.9709291613        1.6521961795
  H        23.7955750003       20.5606037534        1.7469362393
  N        13.3627847551       10.3077830767        9.0614000014
  C        12.8153283267        9.5300397493        0.4299384470
  C        11.5128134991        8.8030578548        0.1957868099
  C        10.7825151969        8.9052824686        8.5009547545
  C        10.9471180618        7.9646614991        1.1994674676
  C         1.1099252739        2.8187137574        0.0311019841
  C         3.5575385153        3.4674569817        0.2250757544
  C         2.4465312772        2.4489233978        0.1073875139
  C         5.9284282456        5.1349497841        0.3327551612
  C         2.8087311039        1.1104787587        0.0756034424
  C         0.6749532229        4.1860941871        0.0245075295
  C         4.1747481187        0.6782628966        0.0376992368
  H        13.2398324086        9.3337766213        1.4433542963
  H        11.1823134851        9.5167488060        7.6744059299
  H        11.4467094750        7.8606477819        2.1772527982
  H         1.3285115961        5.0376428448        0.0609367264
  C        35.4801303551       28.1032244114        1.4174603812
  C        36.6263944971       28.9162318541        1.3580642187
  H        34.8598306308       28.1481809672        2.3256969524
  H        36.8468205001       29.5692392533        2.2188278503
  C        15.4735053046       11.0383951914        0.7785968616
  C        16.6271722096       11.8355632316        0.8270387972
  H        15.2326521323       10.4107134025        1.6521960636
  H        17.2365920310       11.8210386820        1.7469365085
  N        27.6693754218       22.0738430728        9.0613998957
  C        28.2168397529       22.8516055790        0.4299385391
  C        29.5193548517       23.5785879487        0.1957867538
  C        30.2496455556       23.4763449849        8.5009546955
  C        30.0850493654       24.4169821513        1.1994674505
  C        39.9222418130       29.5629290948        0.0310932028
  C        37.4746292443       28.9141950119        0.2250662683
  C        38.5856410807       29.9327171498        0.1073293611
  C        35.1037387675       27.2466957950        0.3327586311
  C        38.2234578649       31.2711856408        0.0756589024
  C        40.3572150915       28.1955516699        0.0245401578
  C        36.8573863456       31.7033809731        0.0376833448
  H        27.7923346961       23.0478663718        1.4433542598
  H        29.8498479313       22.8648805259        7.6744060992
  H        29.5854570468       24.5209935414        2.1772525658
  H        39.7036562544       27.3440026277        0.0609229100
  C        35.4801660317        4.2784101001        8.0968755399
  C        36.6264278617        3.4654071101        8.1562715677
  H        34.8598642797        4.2334556037        7.1886400378
  H        36.8468583708        2.8123982105        7.2955147963
  C        15.4734843877       21.3432410148        8.7357389997
  C        16.6271502899       20.5460580673        8.6872966670
  H        15.2326322465       21.9709239750        7.8621403446
  H        17.2365768407       20.5605998186        7.7674011750
  N        27.6693971056       10.3077921881        0.4529362587
  C        28.2168548348        9.5300303330        9.0843981733
  C        29.5193725294        8.8030477872        9.3185501742
  C        30.2496698980        8.9052888228        1.0133840948
  C        30.0850694624        7.9646530524        8.3148710505
  C        39.9222760029        2.8187028611        9.4832555933
  C        37.4746630331        3.4674474182        9.2892600406
  C        38.5856729018        2.4489141792        9.4069461238
  C        35.1037683605        5.1349400578        9.1815816242
  C        38.2234809086        1.1104674542        9.4386991708
  C        40.3572468578        4.1860851508        9.4898198657
  C        36.8574620397        0.6782431632        9.4766161205
  H        27.7923515415        9.3337689597        8.0709822052
  H        29.8498699162        9.5167550698        1.8399315885
  H        29.5854788492        7.8606419966        7.3370850950
  H        39.7036852909        5.0376322509        9.4534185224
  C         5.5519983572       28.1032167258        8.0968767693
  C         4.4057318149       28.9162244500        8.1562732641
  H         6.1722987297       28.1481756783        7.1886386806
  H         4.1853035830       29.5692345890        7.2955072116
  C        25.5586760564       11.0383858681        8.7357392082
  C        24.4050103486       11.8355689638        8.6872971564
  H        25.7995288704       10.4107050335        7.8621406493
  H        23.7955846857       11.8210292208        7.7674015018
  N        13.3627704324       22.0738530540        0.4529365572
  C        12.8153052890       22.8515956738        9.0843982472
  C        11.5127871959       23.5785779066        9.3185499370
  C        10.7824976472       23.4763550384        1.0133841638
  C        10.9470915546       24.4169743284        8.3148712657
  C         1.1098809637       29.5629210472        9.4832226915
  C         3.5574967389       28.9141854490        9.2892715145
  C         2.4464823408       29.9327077113        9.4070104466
  C         5.9283928219       27.2466859193        9.1815779431
  C         2.8086652153       31.2711744970        9.4387117382
  C         0.6749124801       28.1955421966        9.4898056870
  C         4.1747345124       31.7033604762        9.4766745718
  H        13.2398097501       23.0478594347        8.0709816356
  H        11.1822968516       22.8648868693        1.8399317580
  H        11.4466831773       24.5209880061        7.3370845063
  H         1.3284742547       27.3439929172        9.4533951083
  N        20.5161890203       18.1561990800        0.0000134239
  N        20.5159792404       14.2254444172       -0.0000043505
  N        -0.0000479723       30.4132119478        0.0000447255
  N        -0.0000062472        1.9684340867       -0.0000447110
  N        18.5623972255       16.1905463173       -0.0000656509
  N        22.4697703141       16.1910924560        0.0000061267
  N         1.9575335997       -0.0000026244       -0.0001158930
  N        39.0746797987       -0.0000028919        0.0001158228
 Co        20.5162362311       16.1909830668        0.0001242403
 Co         0.0002459683        0.0001326106        0.0000042061
  C        14.9646307508       11.9129783046        3.3397905540
  C        16.1115651617       12.7222558993        3.3989951828
  H        14.3440646231       11.9569959156        2.4320867507
  H        16.3308757029       13.3774127881        2.5395402748
  C        35.9900102116       27.2292441078        3.9781220926
  C        37.1429478911       28.0256007416        3.9295652297
  H        35.7486621095       26.6011978875        3.1044142260
  H        37.7532264744       28.0117803981        3.0095622424
  N         7.1532120648        5.8832276916        5.2101401641
  C         7.7005388934        6.6606934242        4.3271030907
  C         9.0034101695        7.3878024309        4.5614987590
  C         9.7336889062        7.2856473481        5.7705633000
  C         9.5691658634        8.2263046160        3.5577352310
  C        19.4059206418       13.3717081078        4.7258048340
  C        16.9606273968       12.7207617043        4.5309229497
  C        18.0699200869       13.7440062987        4.6499442241
  C        14.5878428813       11.0556558594        4.4252672117
  C        17.7141658223       15.0860763887        4.6837126368
  C        19.8417629494       12.0045538252        4.7324596882
  C        16.3576357578       15.5180364007        4.7206144804
  H         7.2761328312        6.8570320853        3.3134862360
  H         9.3336649258        6.6738887606        6.5971646524
  H         9.0693135355        8.3301242771        2.5798862457
  H        19.1882171357       11.1540366342        4.6962396409
  C        26.0675340970       20.4686600991        3.3397904632
  C        24.9205999611       19.6593818948        3.3989939148
  H        26.6881013717       20.4246448907        2.4320869560
  H        24.7012908399       19.0042289678        2.5395417147
  C         5.0421571846        5.1523942012        3.9781226675
  C         3.8892168658        4.3560333892        3.9295652545
  H         5.2835033059        5.7804419233        3.1044141451
  H         3.2789388882        4.3698592018        3.0095617747
  N        33.8789516347       26.4984068253        5.2101401537
  C        33.3316254417       25.7209431751        4.3271032786
  C        32.0287540241       24.9938335894        4.5614987303
  C        31.2984739852       25.0959860199        5.7705634788
  C        31.4629990729       24.1553335413        3.5577352247
  C        21.6262436193       19.0099274183        4.7258048771
  C        24.0715370291       19.6608737805        4.5309218265
  C        22.9622447468       18.6376291763        4.6499445043
  C        26.4443216498       21.3259805221        4.4252669703
  C        23.3179982845       17.2955592256        4.6837129650
  C        21.1904018528       20.3770817572        4.7324595487
  C        24.6745282303       16.8635990813        4.7206144091
  H        33.7560323722       25.5246068091        3.3134862732
  H        31.6984972248       25.7077426595        6.5971644420
  H        31.9628523414       24.0515161915        2.5798864267
  H        21.8439475123       21.2275999746        4.6962395724
  C        26.0675452800       11.9129756727        6.1745465482
  C        24.9206081821       12.7222537776        6.1153413491
  H        26.6881115798       11.9569911161        7.0822508359
  H        24.7012992929       13.3774086492        6.9747972997
  C         5.0421209392       27.2292423484        5.5362147870
  C         3.8891807856       28.0255983417        5.5847716335
  H         5.2834712388       26.6011939843        6.4099228414
  H         3.2789020592       28.0117765994        6.5047754824
  N        33.8789820428        5.8832290313        4.3041966470
  C        33.3316530380        6.6606936842        5.1872350055
  C        32.0287785647        7.3878075230        4.9528581863
  C        31.2985044024        7.2856514091        3.7437904407
  C        31.4630133749        8.2262891282        5.9566196585
  C        21.6262493901       13.3717091003        4.7886002667
  C        24.0715497210       12.7207593960        4.9834143214
  C        22.9622531389       13.7440062225        4.8644029453
  C        26.4443354858       11.0556556748        5.0890693322
  C        23.3180017671       15.0860771997        4.8306159767
  C        21.1904129480       12.0045534620        4.7818863864
  C        24.6745300854       15.5180361479        4.7936273305
  H        33.7560591815        6.8570282863        6.2008500417
  H        31.6985245853        6.6738961962        2.9171748913
  H        31.9628852971        8.3301231829        6.9344793600
  H        21.8439620524       11.1540365275        4.8180958267
  C        14.9646176144       20.4686568947        6.1745463738
  C        16.1115548205       19.6593780610        6.1153424958
  H        14.3440498676       20.4246394182        7.0822512830
  H        16.3308622768       19.0042229730        6.9747962605
  C        35.9900401122        5.1523922947        5.5362138282
  C        37.1429818526        4.3560313503        5.5847708299
  H        35.7486916117        5.7804379379        6.4099221014
  H        37.7532593002        4.3698554236        6.5047741927
  N         7.1531827663       26.4984073100        4.3041958248
  C         7.7005109584       25.7209408709        5.1872348162
  C         9.0033851785       24.9938274794        4.9528586478
  C         9.7336605973       25.0959863825        3.7437903566
  C         9.5691494408       24.1553441466        5.9566195189
  C        19.4059146789       19.0099263377        4.7886002538
  C        16.9606141623       19.6608753056        4.9834147772
  C        18.0699101311       18.6376291125        4.8644025686
  C        14.5878278484       21.3259791540        5.0890699344
  C        17.7141623887       17.2955581990        4.8306157652
  C        19.8417504027       20.3770820604        4.7818865094
  C        16.3576341890       16.8635996364        4.7936274137
  H         7.2761030348       25.5246041518        6.2008510239
  H         9.3336409218       25.7077439294        2.9171744507
  H         9.0692762593       24.0515076193        6.9344800092
  H        19.1882011511       21.2276000317        4.8180958603
  C         5.5519205564        4.2783636004        6.1745319565
  C         4.4056293411        3.4654067208        6.1149513500
  H         6.1723066949        4.2334471495        7.0828499171
  H         4.1853823325        2.8124603760        6.9759602060
  C        25.5587126278       21.3432672383        5.5357981244
  C        24.4051884201       20.5460866212        5.5840477104
  H        25.7995671227       21.9709880303        6.4093345870
  H        23.7955087210       20.5606047537        6.5038921003
  N        13.3628157899       10.3077534324        4.3042736733
  C        12.8153319284        9.5300435033        5.1871011879
  C        11.5128269286        8.8030593589        4.9529808358
  C        10.7825074673        8.9052564595        3.7438154133
  C        10.9470712884        7.9646813242        5.9566241352
  C         1.1100606695        2.8185774008        4.7883667773
  C         3.5576154230        3.4674058270        4.9823505570
  C         2.4467332043        2.4482947481        4.8645557207
  C         5.9283603994        5.1348919483        5.0899553107
  C         2.8097151704        1.1105416542        4.8326394837
  C         0.6749626545        4.1859978065        4.7816931593
  C         4.1726434262        0.6759390065        4.7947969568
  H        13.2398344448        9.3337668212        6.2005075395
  H        11.1823186340        9.5167509800        2.9172618685
  H        11.4467247098        7.8606380541        6.9344271179
  H         1.3284549755        5.0375753173        4.8181018917
  C        35.4802395706       28.1032682205        6.1745304692
  C        36.6265360538       28.9162300109        6.1149503055
  H        34.8598548100       28.1481842280        7.0828501269
  H        36.8467788576       29.5691712004        6.9759651770
  C        15.4734511130       11.0383668622        5.5357981420
  C        16.6269756170       11.8355473763        5.5840482993
  H        15.2325954243       10.4106442608        6.4093340747
  H        17.2366526212       11.8210269438        6.5038904235
  N        27.6693485955       22.0738831459        4.3042736028
  C        28.2168318704       22.8515913198        5.1871012016
  C        29.5193369180       23.5785758733        4.9529808200
  C        30.2496577532       23.4763815371        3.7438152868
  C        30.0850918480       24.4169518394        5.9566240946
  C        39.9221010224       29.5630569988        4.7883651594
  C        37.4745482817       28.9142347436        4.9823389015
  C        38.5854345596       29.9333394533        4.8645075220
  C        35.1038025286       27.2467430181        5.0899579709
  C        38.2224573226       31.2711057435        4.8326872943
  C        40.3572034187       28.1956361040        4.7817213815
  C        36.8594983589       31.7056972385        4.7947879791
  H        27.7923282206       23.0478656643        6.2005076048
  H        29.8498471664       22.8648888757        2.9172620495
  H        29.5854373996       24.5209927549        6.9344269298
  H        39.7037090612       27.3440604104        4.8180896357
  C        35.4802791395        4.2783659501        3.3398044975
  C        36.6265720904        3.4654093068        3.3993850243
  H        34.8598934020        4.2334524200        2.4314877169
  H        36.8468206814        2.8124667184        2.5383778772
  C        15.4734365043       21.3432686679        3.9785383631
  C        16.6269633512       20.5460873380        3.9302883827
  H        15.2325800048       21.9709917691        3.1050010933
  H        17.2366426667       20.5606095968        3.0104429780
  N        27.6693651758       10.3077532431        5.2100628182
  C        28.2168512469        9.5300457668        4.3272370000
  C        29.5193579218        8.8030652978        4.5613763362
  C        30.2496815426        8.9052560539        5.7705388671
  C        30.0851090131        7.9646704708        3.5577302630
  C        39.9221376983        2.8185769503        4.7260577912
  C        37.4745869064        3.4674064971        4.5319849724
  C        38.5854714122        2.4482957161        4.6497876664
  C        35.1038363545        5.1348926979        4.4243813409
  C        38.2224971842        1.1105415915        4.6816567908
  C        40.3572371315        4.1859987842        4.7326448218
  C        36.8595707092        0.6759251062        4.7194278784
  H        27.7923503538        9.3337693767        3.3138286273
  H        29.8498625711        9.5167500628        6.5970779674
  H        29.5854758583        7.8606466202        2.5799382775
  H        39.7037420122        5.0375749052        4.6962503591
  C         5.5518894089       28.1032710476        3.3398065648
  C         4.4055903322       28.9162335222        3.3993864800
  H         6.1722745542       28.1481894886        2.4314854426
  H         4.1853452230       29.5691771499        2.5383697449
  C        25.5587278437       11.0383688852        3.9785384772
  C        24.4052010182       11.8355499175        3.9302875637
  H        25.7995854130       10.4106479420        3.1050017058
  H        23.7955242300       11.8210297861        3.0104448242
  N        13.3627981544       22.0738813997        5.2100630744
  C        12.8153131462       22.8515907770        4.3272371521
  C        11.5128063227       23.5785708503        4.5613760527
  C        10.7824815266       23.4763773279        5.7705389971
  C        10.9470562850       24.4169674533        3.5577305081
  C         1.1100236818       29.5630590986        4.7260212222
  C         3.5575766942       28.9142358021        4.5319988804
  C         2.4466877716       29.9333385069        4.6498426968
  C         5.9283291769       27.2467435429        4.4243785310
  C         2.8096612983       31.2711040783        4.6816730852
  C         0.6749241966       28.1956372141        4.7326325625
  C         4.1726252387       31.7056856810        4.7194719819
  H        13.2398153660       23.0478695404        3.3138279758
  H        11.1822998130       22.8648813694        6.5970781198
  H        11.4466905791       24.5209939009        2.5799376567
  H         1.3284215055       27.3440613469        4.6962290215
  N        20.5160788518       18.1597232396        4.7571797498
  N        20.5160850823       14.2219117268        4.7571796917
  N        -0.0000504584       30.4131902759        4.7572187509
  N        -0.0000060070        1.9684439072        4.7571405293
  N        18.5617751845       16.1908177981        4.7571702316
  N        22.4703892954       16.1908177279        4.7571736356
  N         1.9587144962       -0.0000046842        4.7570711656
  N        39.0734940145       -0.0000059348        4.7572738198
 Co        20.5162352414       16.1908172336        4.7569802719
 Co         0.0004493419       -0.0006072103        4.7567641361
  H        25.5133816227       17.5160182785        9.4579030467
  H        25.5133952732       14.8656031197        0.0564318376
  H        15.5187776316       14.8656064940        9.4579061960
  H        15.5187721492       17.5160433343        0.0564359594
  H        15.5184982001       17.5158727638        4.8133299136
  H        15.5185030497       14.8657648328        4.7008165897
  H        25.5136652898       14.8657630778        4.8133295073
  H        25.5136607560       17.5158706956        4.7008161844
     412
 i =        3, E =     -2345.0903124094
  C        14.8902235133       11.8950862735        8.2871736395
  C        16.0363978315       12.7056697385        8.3346063092
  H        14.2921576901       11.9405621676        7.3594620309
  H        16.2649292397       13.3497623699        7.4646761452
  C        35.8717421326       27.1577665370        8.9197194594
  C        37.0162406530       27.9578204455        8.8723942929
  H        35.6325565224       26.5518005543        8.0390575368
  H        37.6130109062       27.9479871341        7.9493121759
  N         7.1358647372        5.8769630393        0.4758906784
  C         7.6547718507        6.6358145639        9.2558914074
  C         8.9704456694        7.3724670401        9.5067942366
  C         9.7156077109        7.2529364228        1.0073857165
  C         9.5118062828        8.2310664914        8.5123371424
  C        19.3473807550       13.3467094948        9.6542117972
  C        16.8823287732       12.6920405931        9.4678515303
  C        18.0121472983       13.7076553278        9.5820780584
  C        14.5343735063       11.0295541838        9.3681066064
  C        17.6598741884       15.0589300777        9.6231365326
  C        19.7712180902       11.9632874026        9.6659037251
  C        16.2920360523       15.4855908207        9.6537894362
  H         7.2522118845        6.8384147897        8.2338717475
  H         9.3120875001        6.6557848628        1.8393279982
  H         9.0356974959        8.3304473317        7.5268020565
  H        19.1079391439       11.1243840425        9.6320649468
  C        25.9943387426       20.4246069782        8.2871721082
  C        24.8481614883       19.6140212391        8.3346049511
  H        26.5924133471       20.3791391834        7.3594594404
  H        24.6196401597       18.9699391593        7.4646762013
  C         5.0127918193        5.1619089958        8.9197156926
  C         3.8683083190        4.3618508236        8.8724015364
  H         5.2520048724        5.7678874640        8.0390731611
  H         3.2715813137        4.3717115266        7.9493566039
  N        33.7487549656       26.4427955341        0.4758983288
  C        33.2297816247       25.6838712335        9.2558923528
  C        31.9141112025       24.9472198068        9.5067951967
  C        31.1690053619       25.0668127959        1.0073854604
  C        31.3727539097       24.0886256912        8.5123356815
  C        21.5371895252       18.9729929951        9.6542379664
  C        24.0022276348       19.6276422882        9.4678473576
  C        22.8723976896       18.6120252038        9.5820789287
  C        26.3501832039       21.2901332354        9.3681079551
  C        23.2246971582       17.2607639055        9.6231574814
  C        21.1133319621       20.3563957032        9.6659085787
  C        24.5925080149       16.8340997832        9.6537855115
  H        33.6323548188       25.4812786848        8.2338635157
  H        31.5725223885       25.6639623786        1.8393339922
  H        31.8488735643       23.9892522732        7.5267958719
  H        21.7766155067       21.1953007074        9.6320613184
  C        25.9944446873       11.8951134251        1.4069285130
  C        24.8481846154       12.7056472897        1.3594899748
  H        26.5925334108       11.9405833640        2.3346490627
  H        24.6197306031       13.3497976999        2.2294259665
  C         5.0126203045       27.1577993397        0.7743619005
  C         3.8681072883       27.9578547683        0.8216854218
  H         5.2518209375       26.5518248889        1.6550233701
  H         3.2713401512       27.9480103116        1.7447672864
  N        33.7489325930        5.8769210929        9.2181769580
  C        33.2300004619        6.6358527273        0.4381913799
  C        31.9143243274        7.3724985826        0.1872917491
  C        31.1691591052        7.2529035356        8.6866977611
  C        31.3729401500        8.2310895938        1.1817512016
  C        21.5378139432       13.3459092037        0.0400662473
  C        24.0023978556       12.6920125982        0.2262349305
  C        22.8724421796       13.7079283359        0.1121467613
  C        26.3503187163       11.0295851557        0.3259636367
  C        23.2255040994       15.0581768931        0.0706740750
  C        21.1142354072       11.9629145440        0.0280747042
  C        24.5928724919       15.4848307884        0.0404137286
  H        33.6325667792        6.8384434848        1.4602222799
  H        31.5726948617        6.6557527287        7.8547420507
  H        31.8490525694        8.3304693976        2.1672981003
  H        21.7769226897       11.1242338485        0.0620254632
  C        14.8901652267       20.4246331281        1.4069287913
  C        16.0364281254       19.6140979326        1.3594903899
  H        14.2920710957       20.3791567517        2.3346473228
  H        16.2648728911       18.9699464308        2.2294213199
  C        35.8720178248        5.1619387713        0.7743668266
  C        37.0165163333        4.3618838377        0.8216820395
  H        35.6327885959        5.7679178440        1.6550178414
  H        37.6132469374        4.3717353805        1.7447336961
  N         7.1356239596       26.4427654813        9.2181793732
  C         7.6546134517       25.6839052500        0.4381875897
  C         8.9702942244       24.9472579153        0.1872906625
  C         9.7154010066       25.0667883609        8.6866982570
  C         9.5116715152       24.0886590692        1.1817507076
  C        19.3467742752       18.9738472233        0.0400452899
  C        16.8822185482       19.6277439623        0.2262387662
  C        18.0121876794       18.6118261799        0.1121408241
  C        14.5342993549       21.2901697421        0.3259633760
  C        17.6591226738       17.2615506759        0.0706753467
  C        19.7703927377       20.3568393039        0.0280741725
  C        16.2917448303       16.8349205810        0.0404188854
  H         7.2520427107       25.4813035795        1.4602224005
  H         9.3118724431       25.6639434429        7.8547444540
  H         9.0355522358       23.9892718661        2.1672975245
  H        19.1076959813       21.1955219393        0.0620266715
  C         5.5533331922        4.2650352675        1.4077510606
  C         4.4098061466        3.4458954544        1.3583564816
  H         6.1507554495        4.2184909837        2.3354179915
  H         4.1781650940        2.8079107909        2.2310208629
  C        25.4557098285       21.3214228461        0.7732904968
  C        24.3105033797       20.5205763063        0.8198981975
  H        25.6942875853       21.9272773772        1.6541833538
  H        23.7147177671       20.5312260327        1.7437492219
  N        13.3063040440       10.2837926978        9.2179162935
  C        12.7865364729        9.5235412102        0.4378063854
  C        11.4722299398        8.7875720753        0.1874926637
  C        10.7268686454        8.9070515327        8.6868962994
  C        10.9308040132        7.9290957852        1.1818385650
  C         1.0944369307        2.8157690924        0.0389549098
  C         3.5663578749        3.4611438462        0.2225060525
  C         2.4328384695        2.4507325926        0.1120955993
  C         5.9078380019        5.1298016890        0.3276522606
  C         2.7983779993        1.1068437486        0.0764817298
  C         0.6719995877        4.1971703076        0.0274015966
  C         4.1841954803        0.6774682421        0.0443344339
  H        13.1899592091        9.3213215852        1.4596763439
  H        11.1300950062        9.5038044338        7.8546740804
  H        11.4065871499        7.8292655971        2.1673660688
  H         1.3353570164        5.0365742398        0.0619644999
  C        35.3312970759       28.0547348210        1.4077569005
  C        36.4747993106       28.8738941383        1.3583929843
  H        34.7338538431       28.1012463439        2.3354077239
  H        36.7064319484       29.5117794653        2.2309648865
  C        15.4289057113       10.9983290186        0.7732907277
  C        16.5741116046       11.7991758007        0.8198970729
  H        15.1903221582       10.3924703467        1.6541792822
  H        17.1698881856       11.7885184865        1.7437451410
  N        27.5782507710       22.0358909822        9.2179114129
  C        28.0980835914       22.7962155872        0.4378074062
  C        29.4123866966       23.5321824933        0.1874922626
  C        30.1576907584       23.4126399056        8.6868966082
  C        29.9538081143       24.3906527540        1.1818401443
  C        39.7901900499       29.5040040245        0.0389499124
  C        37.3182397775       28.8586447379        0.2225511492
  C        38.4517522138       29.8690070965        0.1120841685
  C        34.9767789767       27.1899590372        0.3276625632
  C        38.0863222443       31.2129367185        0.0765942998
  C        40.2126056155       28.1225736929        0.0273879756
  C        36.7003153295       31.6422172810        0.0441669422
  H        27.6946495066       22.9984260202        1.4596804907
  H        29.7544691142       22.8158900398        7.8546686402
  H        29.4780162296       24.4904761352        2.1673710411
  H        39.5492411844       27.2831565268        0.0619461744
  C        35.3314947930        4.2650084079        8.2863297710
  C        36.4750359594        3.4458695500        8.3357249116
  H        34.7340652130        4.2184710525        7.3586528903
  H        36.7066922190        2.8078855421        7.4630507953
  C        15.4287542582       21.3214021420        8.9207805506
  C        16.5739724204       20.5204621179        8.8741691472
  H        15.1901796168       21.9272767583        8.0398772340
  H        17.1697945667       20.5312214608        7.9503157872
  N        27.5784090047       10.2838328586        0.4761901365
  C        28.0981942687        9.5234977710        9.2562704992
  C        29.4125044030        8.7875376271        9.5065885179
  C        30.1578649165        8.9070754646        1.0071913447
  C        29.9539499663        7.9290655755        8.5122427400
  C        39.7904082430        2.8157196053        9.6551259160
  C        37.3184906368        3.4611022351        9.4715721098
  C        38.4520246054        2.4507072354        9.5819466601
  C        34.9769675098        5.1297692951        9.3664291431
  C        38.0865379997        1.1067885630        9.6175808032
  C        40.2128343516        4.1971289968        9.6666969817
  C        36.7006763107        0.6774871581        9.6497774048
  H        27.6947531098        9.3212890719        8.2343794678
  H        29.7546164623        9.5038382913        1.8394277230
  H        29.4781575212        7.8292426667        7.5266992694
  H        39.5494504662        5.0365399650        9.6321457933
  C         5.5530484372       28.0547104927        8.2863237197
  C         4.4095317282       28.8738693863        8.3356872159
  H         6.1504925814       28.1012266464        7.3586746946
  H         4.1778874622       29.5117548471        7.4631224505
  C        25.4558040359       10.9982876920        8.9207796250
  C        24.3105876333       11.7992280556        8.8741695791
  H        25.6943858636       10.3924186360        8.0398755962
  H        23.7147707037       11.7884755303        7.9503149618
  N        13.3062071305       22.0359221203        0.4761883737
  C        12.7863632442       22.7961887704        9.2562707467
  C        11.4720505046       23.5321475618        9.5065887520
  C        10.7267484477       23.4126744484        1.0071903231
  C        10.9306120187       24.3906274095        8.5122428070
  C         1.0941133792       29.5039577263        9.6551323431
  C         3.5660926947       28.8586063034        9.4715350210
  C         2.4325584789       29.8689826815        9.5820368235
  C         5.9075850691       27.1899257127        9.3664184243
  C         2.7979839507       31.2128859761        9.6175059609
  C         0.6717416470       28.1225368796        9.6666764964
  C         4.1839432921       31.6422383731        9.6498839419
  H        13.1898104474       22.9984053293        8.2343807534
  H        11.1299904648       22.8159057941        1.8394265643
  H        11.4064107946       24.4904572729        7.5267007849
  H         1.3351181818       27.2831229205        9.6321061485
  N        20.4430186707       18.0969869379        0.0000113453
  N        20.4416562001       14.2228296655        0.0000597485
  N        -0.0002558348       30.3749300850        0.0001940515
  N         0.0000237289        1.9449139396       -0.0001918812
  N        18.5249873406       16.1581711585       -0.0002137741
  N        22.3596934082       16.1616570423       -0.0001476721
  N         1.9348118556        0.0000421012       -0.0003971470
  N        38.9502460858        0.0000462640        0.0003985851
 Co        20.4424442120       16.1600269661        0.0002560602
 Co         0.0002477722        0.0001559564        0.0000010351
  C        14.8902205201       11.8948893669        3.4400786547
  C        16.0366265300       12.7051128424        3.4878682031
  H        14.2919153688       11.9405288959        2.5125450462
  H        16.2649455622       13.3497172925        2.6183636424
  C        35.8719760074       27.1579966075        4.0728345218
  C        37.0162496822       27.9582757758        4.0259307269
  H        35.6326267844       26.5519351464        3.1921641257
  H        37.6128099546       27.9480529144        3.1026412577
  N         7.1356910007        5.8768426281        5.3229076670
  C         7.6547816279        6.6358083406        4.4089226250
  C         8.9703685195        7.3724340862        4.6597447890
  C         9.7155472462        7.2529252092        5.8543867223
  C         9.5118190064        8.2310322219        3.6653226769
  C        19.3474005058       13.3434237268        4.8073754815
  C        16.8828160023       12.6937507995        4.6209670603
  C        18.0123299526       13.7123127099        4.7354223022
  C        14.5342392151       11.0295041084        4.5209488878
  C        17.6613400731       15.0620710408        4.7758972021
  C        19.7701148675       11.9628222880        4.8190397393
  C        16.2853864793       15.4896379509        4.8066774846
  H         7.2522428497        6.8384307196        3.3868730810
  H         9.3120539836        6.6557537345        6.6863399533
  H         9.0356790509        8.3304735237        2.6798023807
  H        19.1076235933       11.1239755013        4.7849878793
  C        25.9943753722       20.4248414883        3.4400771660
  C        24.8479694853       19.6146208139        3.4878721333
  H        26.5926889251       20.3792091380        2.5125419479
  H        24.6196543598       18.9700149636        2.6183564974
  C         5.0126076194        5.1617224746        4.0728336018
  C         3.8683453657        4.3614526928        4.0259404071
  H         5.2519712370        5.7677953438        3.1921656535
  H         3.2717861766        4.3716767880        3.1026365149
  N        33.7488891792       26.4428758564        5.3229149987
  C        33.2298039640       25.6839108369        4.4089189391
  C        31.9142206686       24.9472890889        4.6597449558
  C        31.1690322588       25.0667864180        5.8543860873
  C        31.3727747478       24.0886966438        3.6653203782
  C        21.5371798226       18.9763081457        4.8073755707
  C        24.0017715433       19.6259706619        4.6209670342
  C        22.8722572959       18.6074069805        4.7354226616
  C        26.3503501755       21.2902200718        4.5209503908
  C        23.2232574264       17.2576640232        4.7758951637
  C        21.1144727794       20.3568997210        4.8190398779
  C        24.5991975054       16.8300834122        4.8066777052
  H        33.6323559451       25.4812992470        3.3868672977
  H        31.5725240341       25.6639583969        6.6863478335
  H        31.8489246550       23.9892628804        2.6797969491
  H        21.7769638310       21.1957469148        4.7849876404
  C        25.9944480163       11.8948770427        6.2540055179
  C        24.8480125506       12.7051060148        6.2062100633
  H        26.5927707721       11.9405156993        7.1815679624
  H        24.6197151786       13.3497197521        7.0757433733
  C         5.0123876165       27.1579916610        5.6212465456
  C         3.8680989189       27.9582728707        5.6681482714
  H         5.2517506976       26.5519223368        6.5019172824
  H         3.2715399152       27.9480392742        6.5914402014
  N        33.7491021209        5.8768418729        4.3711632149
  C        33.2299936031        6.6358104232        5.2851657064
  C        31.9144017540        7.3724262485        5.0343568013
  C        31.1692184658        7.2529331107        3.8397118766
  C        31.3729324061        8.2310132885        6.0287580627
  C        21.5372335784       13.3434171509        4.8867366362
  C        24.0018372447       12.6937505721        5.0731159229
  C        22.8723059437       13.7123150278        4.9586779976
  C        26.3504547569       11.0294991788        5.1731327354
  C        23.2232743698       15.0620580652        4.9181654796
  C        21.1145485613       11.9628238691        4.8750687522
  C        24.5992084036       15.4896444599        4.8873093384
  H        33.6325385396        6.8384212232        6.3072221483
  H        31.5727246243        6.6557691159        3.0077410829
  H        31.8490788294        8.3304617311        7.0143225866
  H        21.7770697638       11.1239685685        4.9090922578
  C        14.8901286071       20.4248329329        6.2540058209
  C        16.0365645901       19.6146058558        6.2062074723
  H        14.2918007382       20.3791874460        7.1815662415
  H        16.2648564624       18.9699837607        7.0757428775
  C        35.8722025603        5.1617152500        5.6212486163
  C        37.0164798186        4.3614481225        5.6681429165
  H        35.6328224835        5.7677883673        6.5019247338
  H        37.6130399870        4.3716640610        6.5914512285
  N         7.1354939911       26.4428783390        4.3711656123
  C         7.6545885080       25.6839069850        5.2851666742
  C         8.9701844758       24.9472928350        5.0343565007
  C         9.7153752089       25.0667949556        3.8397126948
  C         9.5116457418       24.0886982940        6.0287584295
  C        19.3473452179       18.9762919071        4.8867355961
  C        16.8827471117       19.6259695321        5.0731157480
  C        18.0122814447       18.6074065640        4.9586773502
  C        14.5341304283       21.2902185843        5.1731327567
  C        17.6613221320       17.2576472201        4.9181661283
  C        19.7700412445       20.3568957444        4.8750686542
  C        16.2853742123       16.8300752273        4.8873090942
  H         7.2520387751       25.4812885886        6.3072200113
  H         9.3118745878       25.6639656380        3.0077416670
  H         9.0354933289       23.9892425941        7.0143212550
  H        19.1075163594       21.1957507322        4.9090922773
  C         5.5528628153        4.2647741321        6.2545706407
  C         4.4095043698        3.4458634819        6.2047527211
  H         6.1505567573        4.2184258346        7.1822765795
  H         4.1783188079        2.8082762274        7.0776526750
  C        25.4558534373       21.3214290022        5.6202859014
  C        24.3107208264       20.5202653714        5.6664783788
  H        25.6944230297       21.9274577398        6.5011365907
  H        23.7145996628       20.5312405472        6.5902353325
  N        13.3063601271       10.2837171827        4.3709571841
  C        12.7865180899        9.5235246007        5.2848472911
  C        11.4722479707        8.7875818893        5.0345631051
  C        10.7268675548        8.9070030184        3.8399125929
  C        10.9307128985        7.9291156294        6.0288145082
  C         1.0949613577        2.8152249364        4.8861369177
  C         3.5662501259        3.4606228732        5.0697713830
  C         2.4336442620        2.4487139404        4.9590206716
  C         5.9076274223        5.1296318512        5.1747874422
  C         2.8009422224        1.1072992285        4.9231375244
  C         0.6723102122        4.1966454203        4.8745226734
  C         4.1780765793        0.6728149795        4.8914871299
  H        13.1899546622        9.3212819293        6.3066852890
  H        11.1301166492        9.5038105350        3.0077143909
  H        11.4065850068        7.8292395947        7.0143510907
  H         1.3351926143        5.0364232082        4.9090091210
  C        35.3317159213       28.0549243579        6.2545675992
  C        36.4750797402       28.8738039039        6.2046987292
  H        34.7339962448       28.1012829177        7.1823105594
  H        36.7062674847       29.5115005195        7.0777384944
  C        15.4287280384       10.9982854771        5.6202858695
  C        16.5738580150       11.7994487715        5.6664747618
  H        15.1901536854       10.3922528952        6.5011330035
  H        17.1699765914       11.7884673120        6.5902363131
  N        27.5782278150       22.0360030904        4.3709517171
  C        28.0980686473       22.7961952882        5.2848486241
  C        29.4123354180       23.5321355797        5.0345624941
  C        30.1577248578       23.4127251549        3.8399127246
  C        29.9538653764       24.3905955529        6.0288164240
  C        39.7895518086       29.5044968545        4.8861341147
  C        37.3183572890       28.8590769674        5.0697558946
  C        38.4509203607       29.8710177237        4.9592058965
  C        34.9769571242       27.1900740951        5.1747605419
  C        38.0835470102       31.2124272077        4.9231573066
  C        40.2122772405       28.1230816923        4.8744569289
  C        36.7065754037       31.6468566122        4.8915228574
  H        27.6946210400       22.9984288447        6.3066894496
  H        29.7544804897       22.8159207630        3.0077089840
  H        29.4779851754       24.4904653950        7.0143564075
  H        39.5493794876       27.2832851107        4.9089761136
  C        35.3319654644        4.2647847477        3.4395112387
  C        36.4753386549        3.4458757455        3.4893312144
  H        34.7342638202        4.2184422715        2.5117934159
  H        36.7065385067        2.8082847698        2.6164154216
  C        15.4286302990       21.3214326731        4.0737946475
  C        16.5737846041       20.5202610358        4.0276021783
  H        15.1900450401       21.9274813120        3.1929238627
  H        17.1699082961       20.5312623447        3.1038246222
  N        27.5783424703       10.2837274377        5.3231451660
  C        28.0982130902        9.5235219276        4.4092376576
  C        29.4124860019        8.7875813232        4.6595348732
  C        30.1578648140        8.9069939624        5.8541894949
  C        29.9540457420        7.9291166984        3.6652599266
  C        39.7898759307        2.8151971057        4.8079775417
  C        37.3186008344        3.4606211974        4.6243082288
  C        38.4512152136        2.4487298188        4.7350379117
  C        34.9771785066        5.1296367753        4.5192948130
  C        38.0839855424        1.1072629154        4.7708998559
  C        40.2125250016        4.1966420904        4.8196017966
  C        36.7068116265        0.6728597208        4.8025211069
  H        27.6947631324        9.3212871209        3.3873743384
  H        29.7545918575        9.5038173083        6.6863988655
  H        29.4781684277        7.8292567918        2.6797382743
  H        39.5496152121        5.0364229092        4.7850998221
  C         5.5526290249       28.0549373412        3.4395129668
  C         4.4092499859       28.8738174982        3.4893803046
  H         6.1503500605       28.1013002069        2.5117719533
  H         4.1780532410       29.5115127326        2.6163496976
  C        25.4559615156       10.9982938796        4.0737939951
  C        24.3108096011       11.7994652365        4.0276030279
  H        25.6945533886       10.3922509937        3.1929221921
  H        23.7146890646       11.7884713690        3.1038218262
  N        13.3062406137       22.0359903697        5.3231440388
  C        12.7863776544       22.7962014866        4.4092375956
  C        11.4721021585       23.5321404883        4.6595353291
  C        10.7267155567       23.4127189352        5.8541886656
  C        10.9305500675       24.3906126766        3.6652596602
  C         1.0947427906       29.5044682953        4.8079767368
  C         3.5659753031       28.8590747091        4.6243275455
  C         2.4333918319       29.8710283337        4.7349188263
  C         5.9074073642       27.1900770518        4.5193206327
  C         2.8007660010       31.2123972614        4.7709287321
  C         0.6720748458       28.1230784981        4.8196419071
  C         4.1776828837       31.6469160964        4.8024502598
  H        13.1898334749       22.9984441931        3.3873755504
  H        11.1299820227       22.8158899033        6.6863976283
  H        11.4064330797       24.4904801375        2.6797394617
  H         1.3349785095       27.2832890366        4.7850769252
  N        20.4423022138       18.1049597513        4.8470487293
  N        20.4423395738       14.2147611887        4.8470482011
  N        -0.0002338567       30.3751182816        4.8471876861
  N         0.0000426108        1.9443769244        4.8468730760
  N        18.5238886021       16.1598603368        4.8470240493
  N        22.3607633246       16.1598594945        4.8470314641
  N         1.9370281290       -0.0000914254        4.8472680762
  N        38.9480677027       -0.0000799402        4.8468101871
 Co        20.4424417825       16.1598589695        4.8467620850
 Co         0.0004170573       -0.0005674031        4.8463900858
  H        25.4551707467       17.5080402961        9.6340002020
  H        25.4553790462       14.8115054061        0.0600804974
  H        15.4293900960       14.8116472521        9.6340153642
  H        15.4292395783       17.5082495728        0.0600907543
  H        15.4274085062       17.5084227455        4.9069096229
  H        15.4274432901       14.8113079488        4.7869813165
  H        25.4571793004       14.8112957657        4.9069090243
  H        25.4571455015       17.5084149920        4.7869804193
     412
 i =        4, E =     -2345.2335629865
  C        14.7564284095       11.8554530109        8.5100174385
  C        15.8913077807       12.6574424461        8.5553560697
  H        14.1858273327       11.8926650836        7.5926296106
  H        16.1299484788       13.2795858745        7.6900803140
  C        35.6207333943       27.0044537169        9.1427854061
  C        36.7491967818       27.8093889696        9.0963261550
  H        35.3937806955       26.4233439361        8.2529642737
  H        37.3401639762       27.8035749105        8.1771912198
  N         7.0874209145        5.8653695351        0.4790257639
  C         7.6013858106        6.5962928489        9.4768461620
  C         8.8839303202        7.3313404828        9.7118696767
  C         9.6710860600        7.1915829648        0.9830855640
  C         9.4180464914        8.2270765897        8.7517877673
  C        19.2014120885       13.2784162124        9.8391325380
  C        16.7517960016       12.6402945650        9.6649871642
  C        17.8824395961       13.6492489070        9.7753688481
  C        14.4200797407       10.9727668834        9.5668088472
  C        17.5407139845       14.9750792618        9.8254977288
  C        19.6327366814       11.9000796397        9.8586138865
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  H        24.4575673285       18.8937509704        7.6900767327
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  H        16.1297909203       18.8937934223        2.2041086719
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  H        23.5476167875       20.4556942878        1.7073728549
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  H        17.0398961692       11.7177199043        1.7073752913
  N        27.3817893541       21.9522525311        9.4195892862
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  C        29.1770572459       23.4176571574        0.1824556548
  C        29.9633141852       23.2771544958        8.9112541944
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  C        39.4933094610       29.3621687941        0.0524822197
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  C        38.1622813013       29.7313221617        0.1191228082
  C        34.7122523170       27.0583918187        0.3288917605
  C        37.8046181487       31.0652937673        0.0798309783
  C        39.9150780252       27.9820071578        0.0340500805
  C        36.4079174832       31.4871066615        0.0557441383
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  H        29.5624714246       22.6994849362        8.0845515145
  H        29.2533108938       24.4081702987        2.1170320724
  H        39.2310180848       27.1339540992        0.0642261190
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  H        36.4241702981        2.7957957010        7.6791002477
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  H         4.1633221718       29.3774893641        7.6791054656
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  H        23.5477752728       11.7176350858        8.1868076617
  N        13.2054539647       21.9523410263        0.4746097072
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  C        11.4101824287       23.4176079190        9.7117251736
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  H        11.0248096401       22.6995204283        1.8096549260
  H        11.3339190530       24.4081402042        7.7771340078
  H         1.3560899478       27.1339012341        9.8298720528
  N        20.2935423584       18.0269947495        0.0001846175
  N        20.2939797990       14.1464928622        0.0002362696
  N        -0.0005153223       30.2294911149        0.0000997892
  N        -0.0000423131        1.9439676639       -0.0000955919
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  N        22.1945478923       16.0872417768       -0.0001081783
  N         1.9259071706        0.0000268761       -0.0015439031
  N        38.6621923000        0.0000689843        0.0015471203
 Co        20.2939616788       16.0869801024        0.0005518606
 Co         0.0004155358        0.0001915659       -0.0000109776
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  H        16.1299040517       13.2796158718        2.7444069412
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  C        36.7494895546       27.8101265591        4.1495602224
  H        35.3940385392       26.4237303187        3.3062852608
  H        37.3397219360       27.8037770958        3.2309152679
  N         7.0871418120        5.8651526466        5.4260894990
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  C        16.7523999823       12.6441620694        4.7185784266
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  C        17.5414851762       14.9784699325        4.8778695776
  C        19.6293258216       11.8962428322        4.9119134364
  C        16.1264999493       15.3724705596        4.9015824038
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  H         9.2679250094        6.6113793031        6.7575942167
  H         8.9591629334        8.3212220121        2.8297252086
  H        18.9432418372       11.0545917507        4.8827785211
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  C        24.6957941103       19.5164845170        3.6085195484
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  H        24.4576009635       18.8937786654        2.7444025529
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  H         3.2477600514        4.3695973556        3.2308679317
  N        33.5003582980       26.3081905472        5.4260515647
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  C        31.7037486268       24.8421039978        4.7647839816
  C        30.9165361418       24.9818087986        5.9301363132
  C        31.1695234023       23.9464039521        3.8047271668
  C        21.3860347347       18.8999823776        4.8926078189
  C        23.8351114163       19.5292125445        4.7185792386
  C        22.7074801894       18.5173931976        4.8288850372
  C        26.1678006678       21.2008407999        4.6195923803
  C        23.0460759606       17.1949066135        4.8778590467
  C        20.9581867461       20.2771523636        4.9119153390
  C        24.4610470321       16.8009064803        4.9015832470
  H        33.3902599567       25.3834247839        3.4822491617
  H        31.3195888925       25.5619680967        6.7575902805
  H        31.6283383493       23.8521762969        2.8297366150
  H        21.6442680015       21.1187812794        4.8827778486
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  C        24.6959143895       12.6568911101        6.2856980042
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  H        24.4577770294       13.2796055777        7.1497881528
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  C        31.7040673925        7.3312552493        5.1294186271
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  C        31.1698221862        8.2269767029        6.0894581402
  C        21.3861376085       13.2734020259        5.0015682252
  C        23.8352064581       12.6441800500        5.1756060546
  C        22.7075490293       13.6559937566        5.0653151294
  C        26.1679884541       10.9725343963        5.2746036787
  C        23.0461075110       14.9784631779        5.0162775859
  C        20.9583320108       11.8962123199        4.9823256607
  C        24.4610781654       15.3724649542        4.9925108349
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  H        31.3199142552        6.6114205569        3.1366159571
  H        31.6286221160        8.3211990738        7.0644791304
  H        21.6444256772       11.0546162910        5.0114092255
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  C        15.8916051781       19.5164606239        6.2856980622
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  H        16.1297386160       18.8937415849        7.1497797709
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  C        36.7498953662        4.3632614363        5.7445987975
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  H        37.3401590187        4.3695807515        6.6633103804
  N         7.0867985282       26.3081942972        4.4681294134
  C         7.6008522667       25.5772377696        5.3642542551
  C         8.8834462813       24.8421131108        5.1294229526
  C         9.6706670048       24.9818245481        3.9640620228
  C         9.4176945776       23.9463808631        6.0894532257
  C        19.2014342261       18.8999583047        5.0015580672
  C        16.7523086377       19.5291923761        5.1756016879
  C        17.8799578345       18.5173444994        5.0653138945
  C        14.4195271500       21.2008333379        5.2746025001
  C        17.5414572262       17.1949052433        5.0162842792
  C        19.6291705696       20.2771396098        4.9823246479
  C        16.1264710527       16.8009040082        4.9925088947
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  H         9.2675881440       25.5619863666        3.1366037400
  H         8.9588886235       23.8521457314        7.0644858365
  H        18.9430903998       21.1187495095        5.0114098713
  C         5.5398987681        4.2299934382        6.3319183338
  C         4.4144742459        3.4143049071        6.2808727085
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  H         4.1640730334        2.7963802460        7.1614558072
  C        25.2599193632       21.2538815396        5.6978555567
  C        24.1298277938       20.4475576448        5.7414550502
  H        25.4864602237       21.8328470315        6.5817134276
  H        23.5473356950       20.4557364406        6.6533789153
  N        13.2056622241       10.2209274867        4.4724900074
  C        12.6936196536        9.4923065767        5.3618540181
  C        11.4104536537        8.7557629389        5.1295786276
  C        10.6241753378        8.8960854851        3.9642485387
  C        10.8770757737        7.8607106472        6.0897277570
  C         1.0951253149        2.8090517818        4.9996659242
  C         3.5518407204        3.4306644473        5.1683242013
  C         2.4256556974        2.4429328834        5.0661170533
  C         5.8749186170        5.1148221667        5.2759465322
  C         2.7794693872        1.1070475488        5.0260927738
  C         0.6716294198        4.1901013557        4.9812232690
  C         4.1767253166        0.6950540034        5.0043795345
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  H        11.0250416637        9.4738514810        3.1376426320
  H        11.3342059728        7.7651862631        7.0639507832
  H         1.3561289340        5.0390515011        5.0113925557
  C        35.0475727496       27.9433014934        6.3319183847
  C        36.1730963508       28.7591093880        6.2810524274
  H        34.4756230729       27.9815630378        7.2556724533
  H        36.4234155400       29.3770121959        7.1614537225
  C        15.3275952160       10.9194841021        5.6978505975
  C        16.4576943715       11.7258119664        5.7414537281
  H        15.1010564165       10.3405065524        6.5817124188
  H        17.0401857987       11.7176178206        6.6533838211
  N        27.3818511103       21.9524584680        4.4725026359
  C        27.8938895664       22.6810556160        5.3618486976
  C        29.1770621539       23.4176064549        5.1295729478
  C        29.9633338633       23.2772965573        3.9642429387
  C        29.7104434597       24.3126544134        6.0897373005
  C        39.4924888358       29.3642064422        4.9997441889
  C        37.0357056767       28.7425948094        5.1683162965
  C        38.1617768220       29.7305359442        5.0665318960
  C        34.7125831110       27.0585292932        5.2759340097
  C        37.8081430035       31.0662303666        5.0260354077
  C        39.9158263903       27.9832360772        4.9810991704
  C        36.4108121300       31.4787048051        5.0046905549
  H        27.4924705368       22.8765908866        6.4079010083
  H        29.5624678134       22.6995434752        3.1376419508
  H        29.2533168687       24.4081602756        7.0639413872
  H        39.2314135019       27.1343496036        5.0112832743
  C        35.0480444452        4.2299940313        3.5622516023
  C        36.1734847077        3.4143063567        3.6132803755
  H        34.4760551416        4.1918239104        2.6385478944
  H        36.4238969216        2.7964386626        2.7327698978
  C        15.3274379325       21.2538832522        4.1963016973
  C        16.4575383776       20.4475578572        4.1527116798
  H        15.1008529854       21.8328737215        3.3124507042
  H        17.0400215782       20.4557858035        3.2407985450
  N        27.3820957918       10.2208924725        5.4216800537
  C        27.8941031861        9.4923393790        4.5323632931
  C        29.1773319744        8.7557475149        4.7646193945
  C        29.9636046710        8.8960730824        5.9299899228
  C        29.7107460931        7.8607225030        3.8044223934
  C        39.4929899790        2.8090035688        4.8944274275
  C        37.0361073911        3.4306875619        4.7258606030
  C        38.1623421104        2.4428401251        4.8280461920
  C        34.7129933265        5.1148190924        4.6182364174
  C        37.8086884263        1.1070230607        4.8679576262
  C        39.9162904906        4.1900667504        4.9130416763
  C        36.4114817032        0.6947213309        4.8896820198
  H        27.4927068764        9.2967751921        3.4862662699
  H        29.5627058594        9.4738410675        6.7565759427
  H        29.2536029196        7.7652098286        2.8302378520
  H        39.2318033830        5.0390135437        4.8828720945
  C         5.5395117081       27.9433159876        3.5622789199
  C         4.4139799933       28.7591007997        3.6131555457
  H         6.1114824669       27.9815978202        2.6384847546
  H         4.1636205354       29.3770660810        2.7326966204
  C        25.2600758672       10.9194952477        4.1962958844
  C        24.1299702771       11.7258227731        4.1527018194
  H        25.4866567818       10.3405199755        3.3124477440
  H        23.5474885029       11.7176084516        3.2407940524
  N        13.2054234399       21.9524682751        5.4216847072
  C        12.6934067293       22.6810410998        4.5323613894
  C        11.4101843028       23.4176247102        4.7646197716
  C        10.6239133694       23.2772863104        5.9299847318
  C        10.8767697714       24.3126601387        3.8044284788
  C         1.0947073775       29.3641709953        4.8944716895
  C         3.5513370035       28.7426112052        4.7258805339
  C         2.4252550251       29.7304297618        4.8276541836
  C         5.8745459395       27.0585312177        4.6182518427
  C         2.7789483699       31.0661917817        4.8682110583
  C         0.6712241538       27.9831848002        4.9131438697
  C         4.1762783612       31.4784338973        4.8894653916
  H        13.0948052950       22.8766165925        3.4862642335
  H        11.0248128420       22.6995041380        6.7565801137
  H        11.3339115040       24.4081911014        2.8302313595
  H         1.3557008961       27.1343487033        4.8828418816
  N        20.2937033977       18.0394977827        4.9470741873
  N        20.2938306015       14.1338763746        4.9470667557
  N        -0.0005092717       30.2294120774        4.9471361998
  N        -0.0000133356        1.9437517655        4.9468891596
  N        18.3890055420       16.0867174298        4.9470296530
  N        22.1985633134       16.0866557536        4.9470499800
  N         1.9275875276       -0.0001688090        4.9482516829
  N        38.6606141702       -0.0001651155        4.9459010629
 Co        20.2940006931       16.0866846825        4.9465834882
 Co         0.0007482752       -0.0009658863        4.9457873491
  H        25.2883824339       17.4423827990        9.8286579239
  H        25.2896031083       14.7299359015        0.0655247219
  H        15.2991336281       14.7309174492        9.8287372875
  H        15.2979127111       17.4434913352        0.0655788051
  H        15.2941203160       17.4430919504        5.0125394564
  H        15.2941506320       14.7302698954        4.8814680675
  H        25.2933899372       14.7302850513        5.0125362857
  H        25.2933597647       17.4430978978        4.8814649000
     412
 i =        5, E =     -2345.3705859589
  C        14.6882081506       11.8310167932        8.6774624059
  C        15.8226680383       12.6350118878        8.7211064425
  H        14.1240052537       11.8672419437        7.7573300837
  H        16.0592154370       13.2454818430        7.8540814841
  C        35.4863130881       26.9245410557        9.3117387087
  C        36.6153004088       27.7387646655        9.2658111096
  H        35.2704346623       26.3518205477        8.4131374425
  H        37.2018648626       27.7273805339        8.3458347391
  N         7.0545217514        5.8492395787        0.4936064769
  C         7.5773986277        6.5884649777        9.6266012134
  C         8.8486368280        7.3146239727        9.8781014668
  C         9.6395567287        7.1591578788        0.9709024355
  C         9.3672387175        8.2192989350        8.9250537848
  C        19.1327667379       13.2380729467        9.9927008962
  C        16.6876741250       12.6124718707        9.8244373329
  C        17.8092459624       13.6081938208        9.9308480724
  C        14.3591809998       10.9416156518        9.7245716158
  C        17.4594642846       14.9510434416        9.9870339312
  C        19.5401430962       11.8614276801       10.0136847785
  C        16.0778070466       15.3566849920       10.0114523977
  H         7.1707568742        6.7611064846        8.5903254801
  H         9.2464291265        6.5839229119        1.8056427874
  H         8.9139905634        8.3183419646        7.9509213239
  H        18.8646889384       11.0265250927        9.9889510338
  C        25.7463515275       20.2662160876        8.6774625476
  C        24.6118993850       19.4622237732        8.7211064590
  H        26.3105440295       20.2300099936        7.7573409574
  H        24.3753464042       18.8517695399        7.8540760947
  C         4.9482933071        5.1727100484        9.3117284543
  C         3.8192733146        4.3584539142        9.2657962375
  H         5.1641157606        5.7454276859        8.4131288043
  H         3.2326520486        4.3698760484        8.3457775050
  N        33.3800160165       26.2481661646        0.4936012989
  C        32.8571950260       25.5087720689        9.6266127402
  C        31.5859357256       24.7825924596        9.8781082339
  C        30.7949648173       24.9382254080        0.9709088312
  C        31.0673253185       23.8779332937        8.9250556936
  C        21.3018481241       18.8592261380        9.9928257429
  C        23.7469104933       19.4847513895        9.8244489565
  C        22.6253706446       18.4890790000        9.9309151754
  C        26.0753883816       21.1555986232        9.7245713337
  C        22.9751921782       17.1462214319        9.9871291918
  C        20.8944269156       20.2358345156       10.0137401521
  C        24.3568381542       16.7405325644       10.0114619567
  H        33.2637928861       25.3361396632        8.5903584115
  H        31.1880872928       25.5134297594        1.8056297326
  H        31.5205580838       23.7789081324        7.9509387679
  H        21.5698857204       21.0707059551        9.9889125239
  C        25.7465034953       11.8310453835        1.3778545616
  C        24.6118744001       12.6348650882        1.3342930927
  H        26.3107610213       11.8673073885        2.2979673284
  H        24.3755458509       13.2455225042        2.2011777781
  C         4.9476846306       26.9246139777        0.7435149472
  C         3.8186543229       27.7388277211        0.7894455746
  H         5.1635948334       26.3518720112        1.6421340820
  H         3.2320732357       27.7274398723        1.7094590840
  N        33.3805564675        5.8491425409        9.5616597430
  C        32.8576308499        6.5885457872        0.4286591445
  C        31.5863312727        7.3147107565        0.1771403388
  C        30.7954232410        7.1590750214        9.0843324352
  C        31.0676951508        8.2193662171        1.1302101790
  C        21.3021594031       13.2379968109        0.0630887148
  C        23.7470537774       12.6127008081        0.2308577704
  C        22.6254351467       13.6093201509        0.1248536335
  C        26.0756049107       10.9417209640        0.3306582192
  C        22.9751164613       14.9515468238        0.0671024594
  C        20.8965900305       11.8606230711        0.0413378478
  C        24.3573840546       15.3546881740        0.0440022352
  H        33.2642312496        6.7611677659        1.4648855681
  H        31.1885665675        6.5838752073        8.2496172959
  H        31.5209265433        8.3183977990        2.1043271951
  H        21.5713408772       11.0252763079        0.0662985329
  C        14.6880189805       20.2663269903        1.3778471206
  C        15.8226486799       19.4625116840        1.3342834344
  H        14.1237616038       20.2300475790        2.2979684735
  H        16.0589794844       18.8518352253        2.2011762840
  C        35.4868068543        5.1727703424        0.7435145080
  C        36.6158318041        4.3585238814        0.7894417777
  H        35.2709563985        5.7454646064        1.6420827781
  H        37.2024348861        4.3699459983        1.7094216791
  N         7.0540311962       26.2480883517        9.5616112096
  C         7.5768729349       25.5088606053        0.4286378487
  C         8.8481713154       24.7826850387        0.1771458053
  C         9.6391495244       24.9381577937        9.0843301559
  C         9.3668209439       23.8780082772        1.1302082760
  C        19.1323760498       18.8594294761        0.0628005587
  C        16.6874699551       19.4846827136        0.2308424128
  C        17.8091033072       18.4881102568        0.1247956678
  C        14.3589096403       21.1556658479        0.3306619925
  C        17.4594322714       17.1458605375        0.0672912423
  C        19.5379294210       20.2367925836        0.0413157505
  C        16.0771587582       16.7427225900        0.0440314442
  H         7.1702736895       25.3361994092        1.4649234942
  H         9.2459865401       25.5133859562        8.2495953132
  H         8.9135870179       23.7789589697        2.1043495374
  H        18.8631720826       21.0721209681        0.0662938218
  C         5.5349748171        4.2154671252        1.3806355360
  C         4.4092916766        3.3919491556        1.3305608116
  H         6.0983678263        4.1789863844        2.3066413028
  H         4.1593585138        2.7898732653        2.2125422679
  C        25.1637381330       21.2178672321        0.7408675567
  C        24.0352968351       20.4062427743        0.7831794556
  H        25.3799915340       21.7893208872        1.6352996087
  H        23.4567943644       20.4174107433        1.6990014939
  N        13.1646931687       10.2028782781        9.5634117944
  C        12.6394923382        9.4597589687        0.4291821007
  C        11.3696743732        8.7349087269        0.1769656709
  C        10.5791098395        8.8902276223        9.0852717596
  C        10.8517410735        7.8307786606        1.1301904998
  C         1.0921439383        2.8130217822        0.0589320152
  C         3.5455065057        3.4208071030        0.2211317913
  C         2.4239588635        2.4381774178        0.1245777812
  C         5.8601799658        5.1081913887        0.3330579349
  C         2.7845235493        1.1005706507        0.0819962459
  C         0.6794883682        4.1935108987        0.0385914046
  C         4.1709143598        0.6789736668        0.0614890172
  H        13.0446936272        9.2876616840        1.4595814010
  H        10.9703049757        9.4633666364        8.2502354780
  H        11.3031500554        7.7299873592        2.1041097423
  H         1.3636457874        5.0364734035        0.0662288328
  C        34.8995328116       27.8819399821        1.3806257184
  C        36.0251934903       28.7054421550        1.3304250975
  H        34.3362057932       27.9183558939        2.3065634147
  H        36.2751890749       29.3073885095        2.2124991614
  C        15.2707818305       10.8795193887        0.7408633808
  C        16.3992275288       11.6911442767        0.7831787636
  H        15.0545330686       10.3080489616        1.6352964456
  H        16.9777341018       11.6799550231        1.6990060671
  N        27.2698713421       21.8943419742        9.5634186566
  C        27.7950253367       22.6376346666        0.4291888735
  C        29.0648485821       23.3624911277        0.1769640176
  C        29.8554624625       23.2070021514        9.0852649486
  C        29.5827921092       24.2666056715        1.1301905859
  C        39.3424393926       29.2844497502        0.0589858562
  C        36.8889661004       28.6766582041        0.2209121576
  C        38.0105962700       29.6593459466        0.1238574025
  C        34.5743565413       26.9892345185        0.3331043967
  C        37.6500401115       30.9969746553        0.0829520696
  C        39.7550254445       27.9039106597        0.0388542021
  C        36.2638264671       31.4185821973        0.0611113715
  H        27.3898379010       22.8097077394        1.4595653948
  H        29.4642604627       22.6338816158        8.2502393547
  H        29.1313879741       24.3673709128        2.1040925224
  H        39.0708853755       27.0609615373        0.0661789612
  C        34.9001776995        4.2153783880        8.6746032732
  C        36.0258645500        3.3918905373        8.7246824648
  H        34.3367997160        4.1789350778        7.7486514346
  H        36.2758228908        2.7898679485        7.8427599572
  C        15.2705442140       21.2177569742        9.3143240021
  C        16.3989249572       20.4058755617        9.2719704124
  H        15.0542832047       21.7893178053        8.4199074479
  H        16.9775326441       20.4174042625        8.3562282564
  N        27.2701761600       10.2029506119        0.4918545032
  C        27.7953815694        9.4596592964        9.6260303486
  C        29.0652636484        8.7347998184        9.8782817727
  C        29.8558054265        8.8902940751        0.9700035302
  C        29.5832216492        7.8306849282        8.9250404638
  C        39.3430994745        2.8128682065        9.9962415044
  C        36.8896358157        3.4207319714        9.8341045734
  C        38.0112453511        2.4380019720        9.9307011221
  C        34.5749347141        5.1080859072        9.7221848358
  C        37.6508060899        1.1004320269        9.9729951636
  C        39.7556563449        4.1933987219       10.0166261460
  C        36.2646519421        0.6785374035        9.9934918826
  H        27.3901781780        9.2875865110        8.5956522943
  H        29.4645706977        9.4634184174        1.8050187763
  H        29.1318107149        7.7299267502        7.9511391199
  H        39.0714832012        5.0363273680        9.9891520763
  C         5.5344428625       27.8818627981        8.6746189387
  C         4.4087292184       28.7053739152        8.7248192207
  H         6.0977765675       27.9183155355        7.7486270721
  H         4.1586931839       29.3073646976        7.8426913224
  C        25.1640324169       10.8794660785        9.3143197056
  C        24.0356507426       11.6913448853        9.2719601377
  H        25.3802809778       10.3079263129        8.4199065542
  H        23.4570310701       11.6798373272        8.3562219419
  N        13.1643376323       21.8944337921        0.4918596296
  C        12.6391983190       22.6375553031        9.6260348653
  C        11.3693202720       23.3624119097        9.8782785605
  C        10.5787162826       23.2070797628        0.9700033020
  C        10.8513566781       24.2665433934        8.9250467976
  C         1.0914906308       29.2843187781        9.9963315196
  C         3.5449420325       28.6765767004        9.8343483496
  C         2.4232905278       29.6591497581        9.9313517649
  C         5.8596604245       26.9891429380        9.7221391573
  C         2.7837933761       30.9968468599        9.9725403129
  C         0.6788869079       27.9037943217       10.0164174066
  C         4.1702107996       31.4182321745        9.9943992532
  H        13.0443935990       22.8096554910        8.5956396838
  H        10.9699593405       22.6339360520        1.8050305277
  H        11.3027602440       24.3673265825        7.9511215282
  H         1.3630973073       27.0608741300        9.9889303604
  N        20.2173263492       17.9925271401        0.0002841271
  N        20.2172048461       14.1049304279        0.0002392891
  N        -0.0007371222       30.1486372487        0.0000327210
  N        -0.0000617707        1.9487632639       -0.0000273892
  N        18.3179585628       16.0474831751       -0.0007678108
  N        22.1166233240       16.0499085110       -0.0001690331
  N         1.9267750342        0.0000641624       -0.0020274914
  N        38.5085392829        0.0000992054        0.0020331333
 Co        20.2175851506       16.0490997901        0.0008588459
 Co         0.0006215028        0.0002835919       -0.0000124740
  C        14.6885701820       11.8304788198        3.6497064813
  C        15.8231233734       12.6344788247        3.6940281000
  H        14.1234255901       11.8671426677        2.7300987600
  H        16.0591529926       13.2457194785        2.8280033190
  C        35.4867648664       26.9250171771        4.2845012508
  C        36.6154786728       27.7394100476        4.2384353718
  H        35.2708006069       26.3523171183        3.3859885420
  H        37.2015628191       27.7276727022        3.3188164520
  N         7.0542219260        5.8489329823        5.5213506409
  C         7.5771834487        6.5883482640        4.5990952907
  C         8.8484289536        7.3145440216        4.8505136873
  C         9.6394321463        7.1591045844        5.9984689789
  C         9.3671264726        8.2191836722        3.8974760268
  C        19.1307719444       13.2323755920        4.9657603307
  C        16.6874249746       12.6168855879        4.7977530298
  C        17.8084074031       13.6131454406        4.9040260106
  C        14.3588513831       10.9414060928        4.6968068138
  C        17.4573036300       14.9548444723        4.9587111244
  C        19.5390346752       11.8558717578        4.9867629135
  C        16.0667573922       15.3582076451        4.9829728840
  H         7.1707509304        6.7611326335        3.5628257116
  H         9.2464027111        6.5838438317        6.8331903201
  H         8.9138819839        8.3184062641        2.9234131974
  H        18.8618300507       11.0218997261        4.9612533032
  C        25.7459585579       20.2668478711        3.6497075430
  C        24.6114089058       19.4628410140        3.6940147726
  H        26.3110941081       20.2302009361        2.7301056350
  H        24.3753687638       18.8516178208        2.8279994567
  C         4.9477989854        5.1723187634        4.2845229548
  C         3.8190520256        4.3579202790        4.2384504635
  H         5.1637382030        5.7450171047        3.3859744280
  H         3.2329426370        4.3696379920        3.3187683877
  N        33.3803297919       26.2483522591        5.5213126545
  C        32.8573434879       25.5089455584        4.5990783883
  C        31.5861012289       24.7827571690        4.8505160802
  C        30.7951223513       24.9381867640        5.9984767289
  C        31.0674010108       23.8781371369        3.8974771966
  C        21.3038112616       18.8649622172        4.9657658781
  C        23.7471231978       19.4804291241        4.7977496715
  C        22.6261674014       18.4841730690        4.9040245251
  C        26.0756852514       21.1559045285        4.6968115183
  C        22.9772992284       17.1424763122        4.9586975878
  C        20.8955086916       20.2414488318        4.9867659631
  C        24.3678246426       16.7390934093        4.9829739016
  H        33.2637671742       25.3361971477        3.5628537066
  H        31.1881492887       25.5134210196        6.8331791327
  H        31.5206343393       23.7789345812        2.9234312525
  H        21.5727129599       21.0754148268        4.9612520278
  C        25.7461713970       11.8304706414        6.4055734248
  C        24.6115791685       12.6344597839        6.3612387948
  H        26.3113164002       11.8671248686        7.3251801320
  H        24.3756252398       13.2457074531        7.2272547206
  C         4.9472312522       26.9250012289        5.7707505115
  C         3.8184796148       27.7393861622        5.8168181948
  H         5.1632281522       26.3522782367        6.6692786914
  H         3.2323858654       27.7276378327        6.7364623900
  N        33.3808543735        5.8489302313        4.5339184469
  C        32.8578463230        6.5883365822        5.4561738497
  C        31.5865398144        7.3145334841        5.2047385687
  C        30.7955465917        7.1591171966        4.0567797613
  C        31.0678202208        8.2191797755        6.1577636731
  C        21.3039500124       13.2323446317        5.0894482237
  C        23.7472829146       12.6168830520        5.2574956175
  C        22.6262831326       13.6131341671        5.1512253084
  C        26.0759288687       10.9414117384        5.3584366736
  C        22.9773546387       14.9548277790        5.0964747485
  C        20.8957073210       11.8558562869        5.0685431035
  C        24.3678594118       15.3582149814        5.0721785987
  H        33.2642465260        6.7611011962        6.4923963398
  H        31.1885933726        6.5839015298        3.2220857077
  H        31.5210313649        8.3183720176        7.1318300970
  H        21.5729312770       11.0219247957        5.0939953432
  C        14.6883848019       20.2668091324        6.4055654126
  C        15.8229786038       19.4628172415        6.3612384459
  H        14.1232375205       20.2301383827        7.3251824770
  H        16.0589337953       18.8515583268        7.2272456898
  C        35.4872948054        5.1722935179        5.7707211253
  C        36.6160536100        4.3579038764        5.8167907435
  H        35.2713338300        5.7449641630        6.6692412607
  H        37.2021530484        4.3696150271        6.7364440068
  N         7.0537173521       26.2483633129        4.5339103468
  C         7.5767217991       25.5089453220        5.4561779031
  C         8.8480045677       24.7827637091        5.2047485808
  C         9.6389928662       24.9382066409        4.0567774533
  C         9.3667327865       23.8781003301        6.1577613338
  C        19.1306345033       18.8649301155        5.0894354270
  C        16.6872721102       19.4804081659        5.2574930582
  C        17.8082929576       18.4841556041        5.1512206056
  C        14.3586172817       21.1558855074        5.3584385079
  C        17.4572531163       17.1424583185        5.0964829560
  C        19.5388373903       20.2414283439        5.0685401978
  C        16.0667264120       16.7390938932        5.0721767776
  H         7.1702915708       25.3361663234        6.4924355236
  H         9.2459243270       25.5134552506        3.2220625031
  H         8.9135146980       23.7788917887        7.1318509380
  H        18.8616135899       21.0753695949        5.0939962088
  C         5.5347012203        4.2153542753        6.4078726150
  C         4.4091562778        3.3915005213        6.3578539469
  H         6.0976898908        4.1786897651        7.3337474105
  H         4.1595384316        2.7901974943        7.2397851258
  C        25.1636561517       21.2174842646        5.7681199736
  C        24.0354712988       20.4046079661        5.8099976912
  H        25.3801775153       21.7896644459        6.6623991020
  H        23.4564039063       20.4174486776        6.7252932822
  N        13.1644839599       10.2026501821        4.5358279435
  C        12.6394901784        9.4596468117        5.4568726510
  C        11.3696342627        8.7348493139        5.2046154421
  C        10.5790402406        8.8901372136        4.0577411454
  C        10.8516186185        7.8307538266        6.1576873603
  C         1.0921196186        2.8113517526        5.0865683318
  C         3.5455705553        3.4199522083        5.2483285785
  C         2.4232688066        2.4395382749        5.1514268576
  C         5.8599353049        5.1079634491        5.3606901646
  C         2.7799446956        1.0998522792        5.1098164355
  C         0.6792515850        4.1921115448        5.0665657057
  C         4.1700140899        0.6837890000        5.0899047075
  H        13.0447558025        9.2875125323        6.4871855163
  H        10.9702840589        9.4633827251        3.2228366346
  H        11.3031538985        7.7299076822        7.1314999518
  H         1.3629782590        5.0356021093        5.0939073858
  C        34.8998581090       27.8819146504        6.4079023060
  C        36.0254171484       28.7057771629        6.3580229394
  H        34.3368908608       27.9185847567        7.3337204753
  H        36.2749788786       29.3071057691        7.2397541719
  C        15.2708962145       10.8798113613        5.7681135448
  C        16.3990900359       11.6926897304        5.8100002741
  H        15.0543792604       10.3076120373        6.6623983585
  H        16.9781590480       11.6798301773        6.7252974541
  N        27.2700472386       21.8946625469        4.5358363087
  C        27.7950612757       22.6376551857        5.4568782194
  C        29.0649185790       23.3624564860        5.2046132230
  C        29.8554964252       23.2071825982        4.0577341546
  C        29.5829453717       24.2665374375        6.1576882484
  C        39.3424704679       29.2858482948        5.0867268488
  C        36.8889667848       28.6772709298        5.2484719289
  C        38.0113135954       29.6577532645        5.1518029506
  C        34.5746143041       26.9893213304        5.3606799096
  C        37.6547581018       30.9974326888        5.1096030984
  C        39.7552763995       27.9051376804        5.0664725403
  C        36.2645276307       31.4138564796        5.0904471685
  H        27.3898079220       22.8097654233        6.4871702915
  H        29.4642476478       22.6339560903        3.2228399756
  H        29.1314147398       24.3673591902        7.1314846400
  H        39.0715881174       27.0617211099        5.0937473285
  C        34.9004507101        4.2153554138        3.6473621659
  C        36.0259981878        3.3915275565        3.6973727659
  H        34.3374791487        4.1787299405        2.7215475771
  H        36.2756365727        2.7902874641        2.8155249068
  C        15.2706568394       21.2174891732        4.2871004370
  C        16.3988698028       20.4046049273        4.2452335744
  H        15.0540954511       21.7896930897        3.3928217195
  H        16.9779239793       20.4175179893        3.3299374103
  N        27.2703525215       10.2026452917        5.5194258064
  C        27.7953801799        9.4596428143        4.5983510533
  C        29.0652951378        8.7348305465        4.8506453910
  C        29.8558737401        8.8901130881        5.9975458045
  C        29.5833558013        7.8307753521        3.8975225419
  C        39.3431770812        2.8112667357        4.9685219552
  C        36.8895782909        3.4199581872        4.8068959132
  C        38.0119877678        2.4394545476        4.9037895638
  C        34.5751731618        5.1079532654        4.6945504132
  C        37.6554825373        1.0997930481        4.9452195259
  C        39.7558800928        4.1920648144        4.9887621414
  C        36.2655273861        0.6835003155        4.9651267600
  H        27.3901343668        9.2875357277        3.5680672065
  H        29.4645961878        9.4633515213        6.8324308750
  H        29.1318068915        7.7299414907        2.9237477166
  H        39.0721492536        5.0355377852        4.9614550090
  C         5.5341148501       27.8819235087        3.6473462823
  C         4.4085014878       28.7057905199        3.6972303686
  H         6.0970901888       27.9186381817        2.7214703852
  H         4.1589052731       29.3071839344        2.8154302027
  C        25.1638846323       10.8798276353        4.2870975582
  C        24.0356691813       11.6927095275        4.2452224618
  H        25.3804358095       10.3076432896        3.3928208179
  H        23.4566116370       11.6798170911        3.3299370153
  N        13.1641945659       21.8946475560        5.5194309644
  C        12.6391654458       22.6376636487        4.5983577126
  C        11.3692592534       23.3624706628        4.8506426535
  C        10.5786835182       23.2071675455        5.9975453929
  C        10.8511912677       24.2665432525        3.8975284611
  C         1.0915244770       29.2857644631        4.9685305530
  C         3.5449428308       28.6772613409        4.8067932469
  C         2.4226262061       29.6576485960        4.9033993537
  C         5.8594003973       26.9893192142        4.6945679060
  C         2.7791911825       30.9973743202        4.9457483625
  C         0.6786427619       27.9050909894        4.9888600010
  C         4.1694784234       31.4136545614        4.9648740257
  H        13.0444053855       22.8097984188        3.5680537566
  H        10.9699675027       22.6339099431        6.8324427520
  H        11.3027335704       24.3674041534        2.9237285010
  H         1.3624010219       27.0617056469        4.9614127046
  N        20.2172150172       18.0056409135        5.0275773915
  N        20.2173622180       14.0916639219        5.0275633305
  N        -0.0006971726       30.1496809317        5.0275554547
  N        -0.0000107257        1.9473888940        5.0274040991
  N        18.3116262220       16.0486808934        5.0275257390
  N        22.1229951288       16.0486233684        5.0275548743
  N         1.9260627383       -0.0002446862        5.0291013116
  N        38.5094248931       -0.0002347416        5.0260555139
 Co        20.2176457891       16.0486505611        5.0268543076
 Co         0.0011584841       -0.0015727874        5.0256846221
  H        25.2100503456       17.4143266201        9.9862257329
  H        25.2111023694       14.6818136373        0.0689931496
  H        15.2245478665       14.6828855109        9.9863609019
  H        15.2234100054       17.4155784791        0.0690871647
  H        15.2155061082       17.4173349039        5.0967002178
  H        15.2155473082       14.6799518763        4.9583708614
  H        25.2190468767       14.6799679338        5.0966953223
  H        25.2190057322       17.4173538718        4.9583652047
     412
 i =        6, E =     -2345.4284197113
  C        14.6353771565       11.8104061915        8.8328973702
  C        15.7643761845       12.6132968635        8.8779153820
  H        14.0655530809       11.8442361450        7.9135847703
  H        15.9980558608       13.2188823421        8.0100616488
  C        35.3689651691       26.8590709532        9.4699749532
  C        36.4969450387       27.6787085449        9.4234998483
  H        35.1635059167       26.2861226602        8.5660010963
  H        37.0861743864       27.6620340978        8.5060225465
  N         7.0278407500        5.8390084798        0.4995900407
  C         7.5597798644        6.5837589916        9.7751517310
  C         8.8162391279        7.3020285292       10.0313748784
  C         9.6130807745        7.1336088131        0.9678404218
  C         9.3309072283        8.2113416150        9.0848121097
  C        19.0684585334       13.1991012905       10.1418216110
  C        16.6382736208       12.5907865685        9.9761036488
  C        17.7400330902       13.5799495050       10.0807713656
  C        14.3067229035       10.9157457252        9.8727150606
  C        17.3862667362       14.9239448160       10.1403943674
  C        19.4739613796       11.8342756482       10.1635690535
  C        16.0191910095       15.3402559046       10.1684637329
  H         7.1478298101        6.7339579976        8.7489758396
  H         9.2285913346        6.5567289019        1.8028930395
  H         8.8692868987        8.3170183679        8.1121528543
  H        18.7931647322       10.9973405592       10.1408508859
  C        25.6678101600       20.2218674635        8.8329025357
  C        24.5388123087       19.4189770537        8.8779160028
  H        26.2376358588       20.1880094498        7.9135659006
  H        24.3051271688       18.8133587701        8.0100365289
  C         4.9342460451        5.1732063989        9.4699507558
  C         3.8062818716        4.3535190689        9.4235539774
  H         5.1396561686        5.7461231630        8.5660513958
  H         3.2170023913        4.3702490575        8.5060352550
  N        33.2752769735       26.1930427792        0.4996870466
  C        32.7434117555       25.4485428469        9.7751401934
  C        31.4869921356       24.7303025081       10.0313759407
  C        30.6900205108       24.8984146206        0.9678321691
  C        30.9722915210       23.8209412761        9.0848290649
  C        21.2347982436       18.8333211511       10.1419725726
  C        23.6649523333       19.4415469508        9.9761171616
  C        22.5632193937       18.4524290807       10.0808642179
  C        25.9964868680       21.1165720180        9.8727203209
  C        22.9170382262       17.1084250669       10.1405423622
  C        20.8292505099       20.1981060008       10.1636516910
  C        24.2840781205       16.6920951233       10.1684828426
  H        33.1553769133       25.2983173081        8.7489366424
  H        31.0745523813       25.4753540239        1.8029492705
  H        31.4339112260       23.7152324182        8.1121106020
  H        21.5100577373       21.0350291327       10.1408055530
  C        25.6679778290       11.8102172339        1.3772773764
  C        24.5387573992       12.6128726020        1.3323366324
  H        26.2378908380       11.8441619323        2.2965750134
  H        24.3053849186       13.2187830248        2.2000842985
  C         4.9334481266       26.8589589819        0.7401319007
  C         3.8054579341       27.6785851612        0.7865896172
  H         5.1389428414       26.2860539421        1.6440215294
  H         3.2162478802       27.6619159620        1.7040129524
  N        33.2760137518        5.8391164331        9.7104253939
  C        32.7439657061        6.5836302700        0.4349648548
  C        31.4875057387        7.3018552711        0.1787225644
  C        30.6906356151        7.1337442125        9.2422585388
  C        30.9727628998        8.2112133463        1.1252759573
  C        21.2357582816       13.1984454115        0.0688724518
  C        23.6652145186       12.5908340073        0.2340620007
  C        22.5635524279       13.5806579175        0.1299222454
  C        25.9967430677       10.9156152232        0.3373466791
  C        22.9176817423       14.9234951816        0.0684670059
  C        20.8321850302       11.8326992386        0.0463863731
  C        24.2850571868       15.3374425266        0.0417397433
  H        33.1559529059        6.7338485155        1.4611676895
  H        31.0751983879        6.5568045300        8.4071408991
  H        31.4343912151        8.3169273624        2.0980069377
  H        21.5117998466       10.9957701940        0.0691889079
  C        14.6351341791       20.2218236018        1.3772728796
  C        15.7643547967       19.4191666793        1.3323321366
  H        14.0652464332       20.1879053551        2.2965446735
  H        15.9977324870       18.8132957816        2.2000597606
  C        35.3696283151        5.1730716573        0.7401185142
  C        36.4976451655        4.3534022240        0.7865396632
  H        35.1641793409        5.7460316043        1.6440961013
  H        37.0869394859        4.3701474816        1.7041131467
  N         7.0272058926       26.1931682218        9.7104863764
  C         7.5590819336       25.4484255567        0.4349155893
  C         8.8156031253       24.7301355452        0.1787221847
  C         9.6125536064       24.8985564846        9.2422404025
  C         9.3303418506       23.8208231454        1.1252909514
  C        19.0673170126       18.8335945559        0.0685405801
  C        16.6378918588       19.4411644049        0.2340429095
  C        17.7396023034       18.4513838680        0.1298491757
  C        14.3063626678       21.1163779473        0.3373544462
  C        17.3854646795       17.1084805366        0.0686305533
  C        19.4709138922       20.1993219735        0.0463273601
  C        16.0180835440       16.6945487933        0.0418122207
  H         7.1471794616       25.2982067427        1.4611065127
  H         9.2280187303       25.4754272741        8.4071959980
  H         8.8687483956       23.7151368670        2.0979580246
  H        18.7912990740       21.0362240654        0.0691785103
  C         5.5247525785        4.2016219393        1.3814170653
  C         4.4053085378        3.3758049653        1.3295267838
  H         6.0917778289        4.1693385507        2.3065787548
  H         4.1562919641        2.7820933300        2.2109599379
  C        25.0836718063       21.1844009799        0.7361511112
  C        23.9561489490       20.3689618646        0.7776108042
  H        25.2894606247       21.7561446997        1.6364760027
  H        23.3757363759       20.3846470357        1.6928725107
  N        13.1255611966       10.1809535549        9.7136311086
  C        12.5919468829        9.4334737417        0.4332330477
  C        11.3369481419        8.7153724130        0.1787794330
  C        10.5398445050        8.8833680930        9.2431979486
  C        10.8222552574        7.8063092081        1.1252175984
  C         1.0919326458        2.8187530649        0.0634988864
  C         3.5345946213        3.4098031913        0.2229650827
  C         2.4265553363        2.4332468797        0.1288388940
  C         5.8474338567        5.1017114018        0.3401956390
  C         2.7888586633        1.0936012987        0.0858028850
  C         0.6831964344        4.1929406992        0.0429943844
  C         4.1611475936        0.6769554946        0.0662968373
  H        13.0020619899        9.2820562729        1.4559083428
  H        10.9226806918        9.4581573119        8.4076393628
  H        11.2824101842        7.6989232828        2.0978722448
  H         1.3698219882        5.0344544108        0.0687804036
  C        34.7783140752       27.8304045826        1.3813474657
  C        35.8977786226       28.6562630138        1.3293361084
  H        34.2113133976       27.8627333483        2.3066657693
  H        36.1469162982       29.2500039106        2.2111148711
  C        15.2194307918       10.8476174852        0.7361473964
  C        16.3469623288       11.6630617683        0.7776062556
  H        15.0136659375       10.2759186619        1.6364449977
  H        16.9273797979       11.6473993685        1.6928603858
  N        27.1776322711       21.8513356811        9.7135957765
  C        27.7111713360       22.5985414024        0.4332402088
  C        28.9661413343       23.3166172771        0.1787799007
  C        29.7633548784       23.1489189784        9.2431971315
  C        29.4808500482       24.2257178534        1.1251988472
  C        39.2113117121       29.2133224782        0.0635434979
  C        36.7685605258       28.6223414380        0.2225613717
  C        37.8765935337       29.5986818132        0.1280450774
  C        34.4556621701       26.9302683755        0.3401560967
  C        37.5146342732       30.9385885742        0.0871991785
  C        39.6199640245       27.8390734145        0.0433213071
  C        36.1415993142       31.3541210383        0.0659825905
  H        27.3010498962       22.7499900792        1.4559358626
  H        29.3804939760       22.5740874550        8.4076001830
  H        29.0207043138       24.3331436640        2.0979125604
  H        38.9332729277       26.9975700801        0.0687287415
  C        34.7791644609        4.2017652028        8.8287014169
  C        35.8986339399        3.3759504940        8.8805643032
  H        34.2121254327        4.1694125871        7.9034227302
  H        36.1477578834        2.7821222219        7.9990161794
  C        15.2191325336       21.1844655435        9.4738955570
  C        16.3465830778       20.3686570132        9.4323968843
  H        15.0133641864       21.7562933238        8.5736289163
  H        16.9271138360       20.3848182682        8.5172178107
  N        27.1779938645       10.1808130432        0.4964930170
  C        27.7116573378        9.4336129144        9.7768385049
  C        28.9666946481        8.7155284147       10.0313085955
  C        29.7637980824        8.8832231483        0.9669043237
  C        29.4814360391        7.8064255365        9.0848886364
  C        39.2121883517        2.8188498732       10.1465292012
  C        36.7694299619        3.4099347999        9.9871736030
  C        37.8775322768        2.4335643043       10.0812794837
  C        34.4564312960        5.1018829787        9.8699270642
  C        37.5156617620        1.0936172793       10.1239466136
  C        39.6208227387        4.1930811768       10.1670481671
  C        36.1426656775        0.6778120971       10.1432882211
  H        27.3015183063        9.2821560100        8.7541353233
  H        29.3808995820        9.4580613270        1.8025024575
  H        29.0212785587        7.6990042492        8.1121635577
  H        38.9340614970        5.0345931141       10.1414806968
  C         5.5240385040       27.8305614002        8.8287168653
  C         4.4045310948       28.6563915949        8.8807541017
  H         6.0910143354       27.8628245926        7.9035050594
  H         4.1554151954       29.2500033915        7.9990955802
  C        25.0840707708       10.8478332908        9.4738958425
  C        23.9566164153       11.6636441354        9.4323921220
  H        25.2898372970       10.2759600438        8.5735934869
  H        23.3760698615       11.6474489251        8.5171933072
  N        13.1250995252       21.8512154689        0.4964479906
  C        12.5915712153       22.5986820971        9.7768509349
  C        11.3365010120       23.3168025648       10.0313063481
  C        10.5393065823       23.1488011177        0.9669157271
  C        10.8217538843       24.2258669451        9.0848736797
  C         1.0910738392       29.2134300054       10.1466087831
  C         3.5338301061       28.6224641985        9.9874914730
  C         2.4257514137       29.5989690698       10.0820126594
  C         5.8467536206       26.9304546871        9.8699003941
  C         2.7879202265       30.9386092521       10.1232255202
  C         0.6824106460       27.8392336557       10.1668169702
  C         4.1601805109       31.3551018758       10.1446128512
  H        13.0016684514       22.7501153419        8.7541681051
  H        10.9222035758       22.5740096715        1.8024621347
  H        11.2818945673       24.3332463974        8.1122111535
  H         1.3690870397       26.9977836356       10.1411909999
  N        20.1523798649       17.9703698769        0.0002723679
  N        20.1507881201       14.0617229776        0.0002908080
  N        -0.0008789506       30.0723657712       -0.0000693549
  N         0.0000217573        1.9596550277        0.0000758483
  N        18.2439863315       16.0140359244       -0.0009990244
  N        22.0592153427       16.0180376805       -0.0003696066
  N         1.9332875219        0.0001312266       -0.0023185024
  N        38.3714913640        0.0001632776        0.0023284784
 Co        20.1518674832       16.0163905014        0.0011044447
 Co         0.0006143651        0.0002818014       -0.0000162555
  C        14.6358511290       11.8096415616        3.7276854990
  C        15.7646455292       12.6128723388        3.7734141656
  H        14.0649753560       11.8439734833        2.8090204743
  H        15.9979860219       13.2192472748        2.9065339372
  C        35.3695037994       26.8594529296        4.3652556754
  C        36.4969648653       27.6792062551        4.3187289976
  H        35.1639914764       26.2865727618        3.4614714044
  H        37.0860420979       27.6622701066        3.4013200192
  N         7.0275810340        5.8388720077        5.6047604427
  C         7.5595219445        6.5834634837        4.6702995609
  C         8.8159694163        7.3017935053        4.9263617987
  C         9.6129490859        7.1336736912        6.0728446711
  C         9.3307662883        8.2110732248        3.9798292148
  C        19.0666400284       13.1929755933        5.0376666705
  C        16.6371869258       12.5949164113        4.8723562628
  C        17.7392963053       13.5829618364        4.9765340724
  C        14.3065131256       10.9154409734        4.7675229304
  C        17.3810165641       14.9262731452        5.0345026007
  C        19.4726895374       11.8255475589        5.0593548476
  C        16.0074181612       15.3408542683        5.0623985039
  H         7.1477768964        6.7338308776        3.6440536201
  H         9.2285634583        6.5567644652        6.9078724770
  H         8.8691373849        8.3169508343        3.0072182456
  H        18.7897943640       10.9910869585        5.0358330591
  C        25.6672777021       20.2224613362        3.7276892530
  C        24.5384880300       19.4192300732        3.7734054215
  H        26.2381599468       20.1881030133        2.8089987883
  H        24.3051300857       18.8128148926        2.9065073071
  C         4.9336420870        5.1726761539        4.3652589146
  C         3.8061901395        4.3529547817        4.3186780959
  H         5.1391363715        5.7454841895        3.4615448182
  H         3.2171310713        4.3698078606        3.4013825118
  N        33.2755797737       26.1933147906        5.6048057739
  C        32.7435844090       25.4486387345        4.6702624927
  C        31.4871850913       24.7303554465        4.9263586700
  C        30.6902094751       24.8985192393        6.0728388349
  C        30.9723671280       23.8210339297        3.9798449301
  C        21.2365402095       18.8392135446        5.0376764844
  C        23.6659734125       19.4372388834        4.8723495919
  C        22.5639036593       18.4492058580        4.9765329423
  C        25.9966390742       21.1167099188        4.7675303292
  C        22.9222031161       17.1058973292        5.0344910066
  C        20.8304654311       20.2066237387        5.0593588604
  C        24.2957787942       16.6913105520        5.0623959055
  H        33.1553716078       25.2982597999        3.6440014220
  H        31.0746388388       25.4754896662        6.9079259855
  H        31.4340039843       23.7151287973        3.0071767415
  H        21.5133651436       21.0410912558        5.0358310532
  C        25.6675663763       11.8097057695        6.4824267956
  C        24.5387301720       12.6129189850        6.4366841359
  H        26.2384454360       11.8440848517        7.4011262846
  H        24.3054718602       13.2193693495        7.3035928034
  C         4.9329235890       26.8594990591        5.8448542316
  C         3.8054406323       27.6792248342        5.8913827038
  H         5.1384572879       26.2866723617        6.7485487524
  H         3.2163806682       27.6623187823        6.8087111021
  N        33.2762701273        5.8388124627        4.6052621402
  C        32.7442311328        6.5834977494        5.5398250625
  C        31.4877703391        7.3017900278        5.2837408826
  C        30.6907649188        7.1336444644        4.1372637088
  C        30.9729189762        8.2111399371        6.2302444905
  C        21.2367249031       13.1929425337        5.1723720632
  C        23.6662079890       12.5949113478        5.3377421351
  C        22.5640804242       13.5829392949        5.2335461867
  C        25.9969559026       10.9154677415        5.4425636305
  C        22.9222794932       14.9262565918        5.1755056346
  C        20.8307117597       11.8255432398        5.1508022251
  C        24.2958204101       15.3408652406        5.1476021444
  H        33.1560148472        6.7338900898        6.5661014081
  H        31.0752287670        6.5566815964        3.3021742618
  H        31.4345342990        8.3170322209        7.2029260963
  H        21.5136597047       10.9911074970        5.1742683852
  C        14.6356059339       20.2225020073        6.4824232220
  C        15.7644379921       19.4192873138        6.4366840582
  H        14.0647476205       20.1881526538        7.4010956346
  H        15.9977041254       18.8128764139        7.3035618580
  C        35.3702403306        5.1727038564        5.8448078043
  C        36.4977363634        4.3529789451        5.8913927999
  H        35.1646996356        5.7455622730        6.7486059934
  H        37.0868094313        4.3698751048        6.8087687705
  N         7.0269024646       26.1932692082        4.6053745665
  C         7.5589080409       25.4486920925        5.5398073985
  C         8.8154092171       24.7303608653        5.2837460522
  C         9.6123691763       24.8984841881        4.1372438829
  C         9.3302537451       23.8210595809        6.2302593483
  C        19.0664539544       18.8391842292        5.1723577285
  C        16.6369591211       19.4372469959        5.3377387981
  C        17.7391237781       18.4492096394        5.2335383438
  C        14.3062056355       21.1166958881        5.4425719145
  C        17.3809459116       17.1058872491        5.1755132034
  C        19.4724438525       20.2066001116        5.1507974925
  C        16.0073793301       16.6912886346        5.1475994576
  H         7.1471764581       25.2983198111        6.5660496978
  H         9.2279291046       25.4753828577        3.3022328873
  H         8.8686620014       23.7151999857        7.2028745111
  H        18.7895034725       21.0410286990        5.1742687465
  C         5.5244334053        4.2015246797        6.4859898857
  C         4.4052732061        3.3754541696        6.4340480088
  H         6.0910797519        4.1691133699        7.4112270567
  H         4.1563759396        2.7822986052        7.3160321515
  C        25.0834159728       21.1839582169        5.8407646179
  C        23.9565232449       20.3670714505        5.8819018468
  H        25.2895071741       21.7565694959        6.7407215134
  H        23.3751663980       20.3847844579        6.7964276541
  N        13.1252833138       10.1805871930        4.6085838998
  C        12.5919026681        9.4334231350        5.5383866021
  C        11.3368801706        8.7154147395        5.2838612334
  C        10.5396977307        8.8831165311        4.1382379345
  C        10.8221004212        7.8063687335        6.2301352665
  C         1.0909350516        2.8181270938        5.1684422637
  C         3.5348957103        3.4092959869        5.3274994333
  C         2.4253258907        2.4340663610        5.2330087893
  C         5.8472125034        5.1016229600        5.4452200935
  C         2.7854170789        1.0939092507        5.1916547861
  C         0.6829822482        4.1916188854        5.1484501645
  C         4.1601663107        0.6750494302        5.1713405719
  H        13.0021553632        9.2820010754        6.5609559629
  H        10.9226404935        9.4580460078        3.3028443888
  H        11.2824224860        7.6989555670        7.2026571093
  H         1.3689598328        5.0333440386        5.1739172234
  C        34.7787489850       27.8306651112        6.4859981240
  C        35.8979025879       28.6566965839        6.4341688439
  H        34.2120617355       27.8631437392        7.4113043040
  H        36.1467772770       29.2500541684        7.3161234419
  C        15.2197453809       10.8482314812        5.8407596682
  C        16.3466438523       11.6651172413        5.8819041663
  H        15.0136760415       10.2756626913        6.7406916130
  H        16.9280097495       11.6474376677        6.7964158332
  N        27.1778523557       21.8515338794        4.6085511102
  C        27.7112729058       22.5987618899        5.5383938706
  C        28.9662651200       23.3167436289        5.2838615863
  C        29.7634389660       23.1489977665        4.1382372016
  C        29.4810619228       24.2258272145        6.2301176256
  C        39.2122519069       29.2139224753        5.1686490851
  C        36.7682738915       28.6228344004        5.3277562023
  C        37.8779284564       29.5979528672        5.2333655935
  C        34.4559477246       26.9305330167        5.4452115878
  C        37.5179921817       30.9383031712        5.1911914005
  C        39.6202299182       27.8404597004        5.1483771573
  C        36.1428215421       31.3569005871        5.1721417000
  H        27.3010136769       22.7502152164        6.5609831369
  H        29.3804752465       22.5740272242        3.3028045624
  H        29.0207469575       24.3332812321        7.2026981323
  H        38.9341779340       26.9987961676        5.1737104310
  C        34.7795001167        4.2014857903        3.7241399239
  C        35.8987025704        3.3754290819        3.7760887601
  H        34.2128272285        4.1690159347        2.7987771062
  H        36.1476559917        2.7821726138        2.8939588226
  C        15.2194188890       21.1839145261        4.3693111286
  C        16.3463456237       20.3670315845        4.3281828851
  H        15.0133033576       21.7564821667        3.4693809904
  H        16.9276923503       20.3847754214        3.4136641431
  N        27.1782431726       10.1806277674        5.6015384890
  C        27.7116982793        9.4333933574        4.6716933368
  C        28.9667558671        8.7154014114        4.9262394439
  C        29.7639405294        8.8831460344        6.0718724319
  C        29.4816007643        7.8063445220        3.9799583028
  C        39.2132017468        2.8180050124        5.0414429641
  C        36.7691296475        3.4092401446        4.8825947066
  C        37.8787730797        2.4340907383        4.9770107479
  C        34.4566603036        5.1016154904        4.7648886414
  C        37.5190211872        1.0937538452        5.0181653155
  C        39.6210169203        4.1915660665        5.0617304970
  C        36.1440739968        0.6752820987        5.0384123989
  H        27.3014439025        9.2819396010        3.6491018669
  H        29.3809483679        9.4581247048        6.9073090444
  H        29.0212649967        7.6988707011        3.0073663774
  H        38.9349301981        5.0332842576        5.0363311697
  C         5.5236176472       27.8306338044        3.7240531481
  C         4.4044396289       28.6566443166        3.7758680198
  H         6.0902669856       27.8630662699        2.7988662312
  H         4.1555481324       29.2499083106        2.8940743550
  C        25.0837235939       10.8482170087        4.3693126889
  C        23.9567966544       11.6650957729        4.3281740545
  H        25.2898402251       10.2756031015        3.4693467492
  H        23.3754393197       11.6473240333        3.4136458045
  N        13.1249092650       21.8515698311        5.6014948386
  C        12.5914695547       22.5987337935        4.6717071240
  C        11.3363877645       23.3167572082        4.9262360182
  C        10.5392258440       23.1490460457        6.0718837124
  C        10.8215312807       24.2257770154        3.9799427223
  C         1.0901413853       29.2137975358        5.0414273638
  C         3.5341167738       28.6227559056        4.8823254074
  C         2.4244383146       29.5979486116        4.9766489040
  C         5.8464749843       26.9305362648        4.7648617711
  C         2.7844845974       30.9381693585        5.0190404442
  C         0.6821538537       27.8404165451        5.0618313992
  C         4.1594061981       31.3572507117        5.0381835836
  H        13.0016861050       22.7501623084        3.6491350007
  H        10.9222138642       22.5741138903        6.9072688407
  H        11.2818537330       24.3332106322        3.0074136626
  H         1.3681975678       26.9988007261        5.0362861622
  N        20.1515360270       17.9820762541        5.1049536747
  N        20.1516986914       14.0500819602        5.1049342291
  N        -0.0008048185       30.0737499145        5.1048077689
  N         0.0000958926        1.9579506665        5.1047970794
  N        18.2354358751       16.0160994725        5.1049024053
  N        22.0678548355       16.0160576945        5.1049375748
  N         1.9308997188       -0.0002461096        5.1066234529
  N        38.3737997890       -0.0002180488        5.1032839856
 Co        20.1519418686       16.0160777982        5.1041338655
 Co         0.0011897275       -0.0015500928        5.1026885673
  H        25.1326298211       17.3818969090       10.1382459465
  H        25.1336232884       14.6488469883        0.0718250681
  H        15.1706522379       14.6504518804       10.1384196798
  H        15.1695028260       17.3831202134        0.0719530977
  H        15.1596569942       17.3853083726        5.1770850382
  H        15.1597091460       14.6468231530        5.0328414352
  H        25.1435443280       14.6468286874        5.1770790818
  H        25.1434895851       17.3853541437        5.0328327565
     412
 i =        7, E =     -2345.4735115838
  C        14.5893670768       11.7916673853        8.9898620797
  C        15.7168354249       12.5963610163        9.0402156292
  H        14.0063966708       11.8260610369        8.0759669197
  H        15.9440961669       13.2049574061        8.1703421816
  C        35.2642123178       26.8133796871        9.6320576294
  C        36.3895322795       27.6355792692        9.5854331464
  H        35.0688895930       26.2305909464        8.7303782146
  H        36.9873132862       27.6114808993        8.6759281911
  N         7.0096034416        5.8369592772        0.5008093710
  C         7.5420488138        6.5798080015        9.9356923498
  C         8.7923432272        7.2951481775       10.1918658215
  C         9.5859309198        7.1154827673        0.9687484773
  C         9.3026537967        8.2047343662        9.2414741026
  C        19.0050670776       13.1714853444       10.3001442179
  C        16.5925019689       12.5713740826       10.1348717894
  C        17.6790371435       13.5591187047       10.2387670489
  C        14.2628823227       10.8951634080       10.0302654005
  C        17.3204282439       14.9027176242       10.2993501720
  C        19.4086141906       11.8047781323       10.3208644385
  C        15.9578002750       15.3185478086       10.3330446029
  H         7.1276306849        6.7084367911        8.9193992494
  H         9.2140106153        6.5280390061        1.8009534287
  H         8.8224787667        8.3204562270        8.2783915975
  H        18.7305078344       10.9734617646       10.2989431896
  C        25.5983523030       20.1920286628        8.9898649532
  C        24.4708725728       19.3873130382        9.0401931040
  H        26.1812976169       20.1576187470        8.0759618716
  H        24.2436059794       18.7787328499        8.1703435046
  C         4.9235112293        5.1702261450        9.6321065225
  C         3.7981910935        4.3480176089        9.5855212107
  H         5.1187961866        5.7530960789        8.7303872049
  H         3.2003972890        4.3722018808        8.6760098776
  N        33.1779302902       26.1466075386        0.5007882493
  C        32.6457286942       25.4039585115        9.9357704968
  C        31.3953898446       24.6885463644       10.1918569934
  C        30.6016896134       24.8681809864        0.9687923056
  C        30.8850903725       23.7789577764        9.2414596892
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  C        22.8674116365       17.0810620569       10.2996259130
  C        20.7791273710       20.1790088024       10.3209536574
  C        24.2300286740       16.6651734968       10.3330406712
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  H        30.9736031725       25.4555886930        1.8009591598
  H        31.3652201614       23.6632270328        8.2783801623
  H        21.4572361942       21.0103081856       10.2988657623
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  H        24.2439509237       13.2048949551        2.2023128359
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  H        31.3658382587        8.3204331285        2.0942231461
  H        21.4595472210       10.9717626020        0.0735233458
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  H        15.9436690568       18.7787409272        2.2023152573
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  H        11.2720114062        7.6712949798        2.0945769553
  H         1.3727323512        5.0323393607        0.0723847899
  C        34.6735669655       27.7915661028        1.3872158672
  C        35.7882245733       28.6190383022        1.3287535274
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  H        36.0320705823       29.2113651512        2.2076813557
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  H        16.8887945971       11.6212716539        1.6892748140
  N        27.1016261786       21.8225738624        9.8720322209
  C        27.6364301228       22.5712061926        0.4364126782
  C        28.8849149918       23.2856034388        0.1802653421
  C        29.6790774524       23.1067966364        9.4048367307
  C        29.3951880334       24.1953080131        1.1312521942
  C        39.0906478987       29.1584081138        0.0663691589
  C        36.6596446416       28.5787750507        0.2256611227
  C        37.7630733084       29.5571601342        0.1315033270
  C        34.3552352039       26.8871096493        0.3458154279
  C        37.3944441658       30.8904170993        0.0934928558
  C        39.5044094808       27.7856709484        0.0473898482
  C        36.0339207504       31.3126096183        0.0699209637
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  H        29.3074548961       22.5205319637        8.5711768055
  H        28.9156123818       24.3123406540        2.0945838204
  H        38.8148702257       26.9513390783        0.0723541652
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  C        35.7892937430        3.3647845885        9.0437006486
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  H        36.0331889934        2.7721809265        8.1648265218
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  C        16.2992074982       20.3400871417        9.5959675563
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  H        16.8884386358       20.3624365720        8.6833098313
  N        27.1020579899       10.1610977223        0.5005370192
  C        27.6370721345        9.4124464685        9.9361713980
  C        28.8856321126        8.6980457775       10.1923305805
  C        29.6796588218        8.8768400181        0.9677598123
  C        29.3959553717        7.7883391695        9.2413441196
  C        39.0918362211        2.8252966355       10.3061806571
  C        36.6608199665        3.4050686610       10.1465413662
  C        37.7643074157        2.4265396109       10.2403812844
  C        34.3562551528        5.0965371640       10.0267627744
  C        37.3958303811        1.0933052061       10.2805923237
  C        39.5055638040        4.1980026831       10.3254737490
  C        36.0352479496        0.6707684815       10.3016517787
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  H        38.8159324190        5.0322940961       10.3004091874
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  H         4.1544665730       29.2113653389        8.1649282431
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  C        23.8885011418       11.6436241494        9.5959756193
  H        25.2112443138       10.2443893980        8.7358232944
  H        23.2992680311       11.6212511448        8.6833053438
  N        13.0855740534       21.8224806637        0.5005728538
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  C        11.3020958229       23.2856538464       10.1923318409
  C        10.5079244779       23.1068106024        0.9677333504
  C        10.7917340103       24.1953521804        9.2413720949
  C         1.0959619613       29.1584508238       10.3062427804
  C         3.5269249852       28.5788307366       10.1469266143
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  C         5.8314600545       26.8871573329       10.0267985459
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  C         4.1525165990       31.3118200308       10.3031247869
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  H        10.8796179370       22.5205199876        1.8014233936
  H        11.2713312571       24.3123803771        8.2780051860
  H         1.3717774702       26.9513975653       10.3000451594
  N        20.0956443903       17.9565037110        0.0004327056
  N        20.0920526664       14.0272913263        0.0001431595
  N        -0.0011477553       30.0092657533       -0.0001088488
  N         0.0000252393        1.9744685273        0.0001162029
  N        18.1759794849       15.9894303752       -0.0013708288
  N        22.0117981254       15.9943493674       -0.0004414207
  N         1.9434475641        0.0002288559       -0.0026656117
  N        38.2459579329        0.0002698025        0.0026745973
 Co        20.0939149193       15.9920069468        0.0012655820
 Co         0.0004369631        0.0001375977       -0.0000225870
  C        14.5899254086       11.7909725359        3.8033532824
  C        15.7167597766       12.5963578770        3.8544799199
  H        14.0059131695       11.8258136782        2.8902063101
  H        15.9440110823       13.2056906112        2.9853716205
  C        35.2645063065       26.8136525054        4.4460095589
  C        36.3895837154       27.6360456299        4.3991682320
  H        35.0694736186       26.2310792795        3.5445126874
  H        36.9873855544       27.6118677914        3.4897623941
  N         7.0093160403        5.8367446802        5.6873313864
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  C         8.7920162010        7.2949421935        5.0056136853
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  C         9.3024780323        8.2045120106        4.0552398521
  C        19.0031765159       13.1648970879        5.1149119159
  C        16.5905230605       12.5745195693        4.9499764322
  C        17.6792705241       13.5602736329        5.0532680264
  C        14.2628689896       10.8949588291        4.8438464769
  C        17.3115213637       14.9030484189        5.1122641832
  C        19.4084574963       11.7945884382        5.1355356471
  C        15.9465714471       15.3175426728        5.1455870926
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  H         9.2139660265        6.5279824202        6.9872099937
  H         8.8222870973        8.3204437154        3.0922011058
  H        18.7265147214       10.9652854757        5.1128638770
  C        25.5977236668       20.1926792262        3.8033535436
  C        24.4708832684       19.3872727499        3.8544472060
  H        26.1817144756       20.1578229437        2.8902002059
  H        24.2436083630       18.7779417054        2.9853686585
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  H         3.2002654123        4.3717624154        3.4897541488
  N        33.1782786077       26.1468521415        5.6872938573
  C        32.6458349452       25.4040298170        4.7495399987
  C        31.3956240908       24.6886939116        5.0055995927
  C        30.6019033893       24.8682310510        6.1550571228
  C        30.8851819457       23.7791236942        4.0552200542
  C        21.1845288595       18.8187987466        5.1149245226
  C        23.5971516293       19.4091651672        4.9499917535
  C        22.5084198371       18.4233891616        5.0532751517
  C        25.9247807252       21.0886806652        4.8438262127
  C        22.8762326197       17.0806538669        5.1122548093
  C        20.7792167893       20.1890939053        5.1355408519
  C        24.2411631044       16.6661152267        5.1455841497
  H        33.0601320767       25.2752921402        3.7331937518
  H        30.9737238753       25.4556954210        6.9872151631
  H        31.3653407443       23.6631929301        3.0921934178
  H        21.4611454614       21.0184008621        5.1128617954
  C        25.5981008034       11.7909827096        6.5692508133
  C        24.4712159302       12.5963743158        6.5181426183
  H        26.1820723909       11.8258765000        7.4824220955
  H        24.2440492198       13.2057465529        7.3872342641
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  C         3.7971161239       27.6360341021        5.9734095335
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  H         3.1992723980       27.6118684975        6.8828321156
  N        33.1791908554        5.8367858814        4.6853228146
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  C        31.3963924714        7.2949566153        5.3670029728
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  C        30.8858958354        8.2045430484        6.3173778544
  C        21.1847719799       13.1648700103        5.2576118023
  C        23.5974740866       12.5744761463        5.4226110403
  C        22.5086662863       13.5602352638        5.3192843298
  C        25.9252110697       10.8949912728        5.5287702391
  C        22.8763229155       14.9030004099        5.2602157421
  C        20.7795204434       11.7945714452        5.2371325526
  C        24.2412157966       15.3175898974        5.2269216662
  H        33.0609629820        6.7083501851        6.6393881656
  H        30.9744919649        6.5279882698        3.3854014117
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  H        21.4615304967       10.9653115732        5.2597565579
  C        14.5895927012       20.1926811234        6.5692437626
  C        15.7164667887       19.3873074643        6.5181171706
  H        14.0056154520       20.1578026342        7.4824193986
  H        15.9436429760       18.7779252298        7.3872349793
  C        35.2655012071        5.1699972365        5.9265815665
  C        36.3905808668        4.3476913584        5.9735091413
  H        35.0704068645        5.7525374029        6.8280437547
  H        36.9883828328        4.3717916178        6.8828480591
  N         7.0084159300       26.1469265929        4.6852675106
  C         7.5410654753       25.4039774211        5.6231197118
  C         8.7912751029       24.6887068448        5.3669974981
  C         9.5850247707       24.8681733267        4.2175902929
  C         9.3018104811       23.7791253738        6.3173495973
  C        19.0029353819       18.8187509853        5.2575987048
  C        16.5902138421       19.4091563726        5.4226217201
  C        17.6790264890       18.4234190998        5.3192799231
  C        14.2624457566       21.0886849869        5.5287534400
  C        17.3114365024       17.0806119403        5.2602162521
  C        19.4081568240       20.1890596035        5.2371247810
  C        15.9465233393       16.6660708233        5.2269230197
  H         7.1267154618       25.2753101285        6.6393960428
  H         9.2131311750       25.4556721639        3.3853870048
  H         8.8216500300       23.6632028561        7.2804104403
  H        18.7261275783       21.0183252960        5.2597563531
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  C         4.3995696633        3.3641610831        6.5149926123
  H         6.0919611394        4.1631630555        7.4913755555
  H         4.1555970327        2.7721542852        7.3941998319
  C        25.0156584079       21.1574100280        5.9213713800
  C        23.8885788515       20.3385797155        5.9625059462
  H        25.2105559292       21.7394868612        6.8219588871
  H        23.2980914121       20.3623441345        6.8738980995
  N        13.0859308891       10.1609012755        4.6857575160
  C        12.5510416124        9.4122283836        5.6228038408
  C        11.3025909625        8.6979733875        5.3666193920
  C        10.5084267062        8.8766660447        4.2186485660
  C        10.7922018446        7.7882587469        6.3174277381
  C         1.0958699722        2.8250253343        5.2524716573
  C         3.5277684402        3.4042576382        5.4117064567
  C         2.4234140666        2.4269517456        5.3175832064
  C         5.8321698619        5.0964061127        5.5320204546
  C         2.7911329493        1.0931130543        5.2794217897
  C         0.6832695784        4.1970023014        5.2338060333
  C         4.1531080061        0.6734686119        5.2567963366
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  H        10.8801808616        9.4631077955        3.3851566670
  H        11.2720287592        7.6712333700        7.2806047434
  H         1.3718809988        5.0309373225        5.2588554877
  C        34.6738230159       27.7918156926        6.5733080721
  C        35.7880922467       28.6194337655        6.5151803774
  H        34.0956961810       27.8205326537        7.4914285219
  H        36.0320494125       29.2116785358        7.3943281240
  C        15.1720129944       10.8262783990        5.9213391925
  C        16.2990861308       11.6450797447        5.9625161378
  H        14.9771281464       10.2441876140        6.8219564259
  H        16.8895940363       11.6213351429        6.8738919047
  N        27.1017527195       21.8227843335        4.6857790997
  C        27.6365882504       22.5714006129        5.6227775729
  C        28.8850635967       23.2856887738        5.3666251489
  C        29.6791990030       23.1069519440        4.2186184466
  C        29.3954426508       24.1954087093        6.3174441185
  C        39.0918404808       29.1584043953        5.2527348268
  C        36.6599718440       28.5792368346        5.4119547441
  C        37.7643085839       29.5567271169        5.3181757332
  C        34.3554951467       26.8872433143        5.5320179169
  C        37.3967295636       30.8904282610        5.2785290780
  C        39.5043600417       27.7865352363        5.2337115293
  C        36.0344637583       31.3107546061        5.2578694134
  H        27.2220804301       22.7011202038        6.6360040097
  H        29.3074488713       22.5205324614        3.3851493656
  H        28.9156620503       24.3124466802        7.2806122943
  H        38.8157289392       26.9526547216        5.2585788020
  C        34.6748582430        4.1917864351        3.7993388171
  C        35.7891849726        3.3640985190        3.8575330984
  H        34.0967518461        4.1631231326        2.8812215835
  H        36.0331703415        2.7721680680        2.9784138156
  C        15.1715804596       21.1573561428        4.4512565610
  C        16.2986953318       20.3385748536        4.4100801264
  H        14.9766458776       21.7394456478        3.5506222907
  H        16.8891828672       20.3623928016        3.4986860993
  N        27.1022328576       10.1608943517        5.6868008479
  C        27.6371600800        9.4122495926        4.7498178161
  C        28.8857020084        8.6979664635        5.0059809387
  C        29.6798611796        8.8766854693        6.1539831201
  C        29.3961476710        7.7882621547        4.0551460185
  C        39.0930343094        2.8249161637        5.1198681023
  C        36.6610114891        3.4042337868        4.9609197939
  C        37.7655640627        2.4268811896        5.0548620897
  C        34.3564258097        5.0963955011        4.8405627998
  C        37.3980991011        1.0930192654        5.0928493870
  C        39.5054928521        4.1969424025        5.1388967772
  C        36.0361419396        0.6729530035        5.1154935151
  H        27.2226527634        9.2825362785        3.7365986553
  H        29.3080797108        9.4631003126        6.9874536789
  H        28.9163632491        7.6712071745        3.0919723676
  H        38.8167777273        5.0308166911        5.1139495793
  C         5.5127821709       27.7917928694        3.7993244470
  C         4.3985231925       28.6193256471        3.8574805210
  H         6.0909401498       27.8205222727        2.8811571507
  H         4.1544841387       29.2116604934        2.9782620989
  C        25.0160753468       10.8262743661        4.4512266345
  C        23.8889501610       11.6450787930        4.4100821492
  H        25.2109903719       10.2442046906        3.5506257177
  H        23.2984563449       11.6212519718        3.4986821672
  N        13.0854690220       21.8227294142        5.6868397210
  C        12.5504560422       22.5714435426        4.7497870770
  C        11.3019587237       23.2856876010        5.0059810109
  C        10.5078055707       23.1070030235        6.1539565557
  C        10.7914753856       24.1953803787        4.0551716324
  C         1.0947797353       29.1582939953        5.1197708114
  C         3.5266598475       28.5791880994        4.9606029928
  C         2.4223938449       29.5566219845        5.0543051034
  C         5.8312040002       26.8872414327        4.8405997777
  C         2.7899326134       30.8903599758        5.0942088039
  C         0.6822674591       27.7864828256        5.1390374972
  C         4.1521649137       31.3104086392        5.1149886638
  H        12.9649907654       22.7011080233        3.7365995400
  H        10.8796124773       22.5205630682        6.9874612777
  H        11.2712804992       24.3124347360        3.0919612114
  H         1.3709279038       26.9526214442        5.1139331627
  N        20.0937958946       17.9664039153        5.1861302121
  N        20.0940026613       14.0172527379        5.1861120870
  N        -0.0010187301       30.0102514223        5.1858592741
  N         0.0001551926        1.9727470470        5.1859182128
  N        18.1649836196       15.9918502600        5.1860905226
  N        22.0228787814       15.9918070436        5.1861231962
  N         1.9388918598       -0.0004797350        5.1887045432
  N        38.2507929889       -0.0004254564        5.1835461760
 Co        20.0940117064       15.9918285375        5.1854251185
 Co         0.0007019611       -0.0009703553        5.1838977419
  H        25.0623436969       17.3533349510       10.2983390795
  H        25.0634299952       14.6284578657        0.0742483729
  H        15.1254703810       14.6303851253       10.2985848685
  H        15.1241877176       17.3551350698        0.0744344249
  H        15.1131211283       17.3568312328        5.2609213975
  H        15.1131934813       14.6267931851        5.1115264789
  H        25.0745909074       14.6268092826        5.2609136363
  H        25.0745177173       17.3568858866        5.1115158555
     412
 i =        8, E =     -2345.5265281835
  C        14.5182697375       11.7597116263        9.2699035204
  C        15.6442070457       12.5752959649        9.3210845554
  H        13.8979177201       11.8023354163        8.3750940237
  H        15.8587776108       13.2020543810        8.4650313338
  C        35.0946807256       26.7664776592        9.9213861054
  C        36.2163744740       27.5923651431        9.8774113853
  H        34.9182529486       26.1482424763        9.0408165588
  H        36.8404356426       27.5481827647        8.9898481180
  N         6.9831662070        5.8400116700        0.5027292881
  C         7.5133187825        6.5750380101       10.2349843793
  C         8.7659806605        7.2952778540       10.4782545545
  C         9.5371756310        7.0976706681        0.9743064973
  C         9.2627120986        8.1915426173        9.5167826480
  C        18.9135456805       13.1279311720       10.5882651906
  C        16.5085009250       12.5352155620       10.4241255673
  C        17.5805899153       13.5385026605       10.5234229239
  C        14.1951503011       10.8680558107       10.3151977737
  C        17.2087238761       14.8747661986       10.5824821873
  C        19.3395751412       11.7691055366       10.6068731587
  C        15.8635075021       15.3017832219       10.6285144610
  H         7.0932544627        6.6670705794        9.2307966360
  H         9.1910156439        6.4707581587        1.7905021244
  H         8.7320026131        8.3374753031        8.5781576766
  H        18.6222245086       10.9268979893       10.5788059695
  C        25.4885136921       20.1674646902        9.2698761372
  C        24.3626205604       19.3519830996        9.3211770501
  H        26.1088532873       20.1249019297        8.3751175935
  H        24.1479979395       18.7251707164        8.4650217860
  C         4.9120730288        5.1606794912        9.9212571871
  C         3.7903519475        4.3347265202        9.8776665661
  H         5.0885216665        5.7789628510        9.0407582154
  H         3.1662529857        4.3789632169        8.9898293255
  N        33.0237151023       26.0877365731        0.5028625130
  C        32.4933804431       25.3519137418       10.2346585142
  C        31.2408236218       24.6319076992       10.4783308802
  C        30.4694196425       24.8297297939        0.9741964980
  C        30.7440333083       23.7356398288        9.5168199639
  C        21.0933908044       18.7993947486       10.5884881154
  C        23.4983610723       19.3919399886       10.4240684090
  C        22.4263404021       18.3887756998       10.5236926944
  C        25.8116890973       21.0591634129       10.3152648529
  C        22.7983157660       17.0524693718       10.5829843676
  C        20.6673075798       20.1581758617       10.6069531578
  C        24.1434372458       16.6254141336       10.6284684790
  H        32.9134890741       25.2601911754        9.2310124118
  H        30.8156646045       25.4567116877        1.7904773446
  H        31.2747715951       23.5897622695        8.5782018058
  H        21.3846139745       21.0003778278       10.5787789741
  C        25.4887556517       11.7596283048        1.3949176141
  C        24.3627673823       12.5745935121        1.3440077662
  H        26.1092087895       11.8024423445        2.2894733116
  H        24.1484469521       13.2020997584        2.1997180277
  C         4.9108551025       26.7665481573        0.7433726027
  C         3.7890293758       27.5925580367        0.7871865621
  H         5.0873415754       26.1484096403        1.6237774947
  H         3.1650315264       27.5483016709        1.6748243620
  N        33.0249392135        5.8395849594       10.1617244983
  C        32.4942870276        6.5754589196        0.4299060611
  C        31.2417095098        7.2954357233        0.1862684490
  C        30.4703921131        7.0976557831        9.6904096179
  C        30.7447904457        8.1916970698        1.1477121650
  C        21.0941665239       13.1277281102        0.0769028599
  C        23.4993547658       12.5353033655        0.2407722658
  C        22.4271712094       13.5389018293        0.1421779434
  C        25.8120608808       10.8682588320        0.3492494329
  C        22.7989215175       14.8743643070        0.0802987018
  C        20.6722408042       11.7674168606        0.0583482847
  C        24.1449525278       15.2989165684        0.0353549827
  H        32.9144316430        6.6671900278        1.4336006581
  H        30.8166966522        6.4706573871        8.8741031936
  H        31.2755515697        8.3375998525        2.0864089236
  H        21.3882691896       10.9249187380        0.0853239091
  C        14.5179041934       20.1679012444        1.3948971356
  C        15.6439538072       19.3528438928        1.3440774196
  H        13.8974781922       20.1250213298        2.2895053347
  H        15.8582480491       18.7253865220        2.1997169874
  C        35.0958780355        5.1606894027        0.7431235212
  C        36.2175379386        4.3349224326        0.7868869062
  H        34.9193828506        5.7790625390        1.6237779329
  H        36.8416739811        4.3791354792        1.6746679738
  N         6.9821681417       26.0873127556       10.1618872589
  C         7.5121931114       25.3523694986        0.4295258062
  C         8.7649435085       24.6320851689        0.1863340876
  C         9.5363256493       24.8296708667        9.6902478136
  C         9.2617823055       23.7358273308        1.1478177332
  C        18.9125074241       18.7999397502        0.0767460880
  C        16.5073544889       19.3922862733        0.2406853729
  C        17.5795673775       18.3886999256        0.1420711126
  C        14.1946278562       21.0592248749        0.3493291966
  C        17.2078565055       17.0532746220        0.0800054566
  C        19.3344144550       20.1602904441        0.0580710933
  C        15.8618613475       16.6286221567        0.0356638731
  H         7.0921992902       25.2603041769        1.4337397561
  H         9.1901031803       25.4565518668        8.8740945005
  H         8.7311415875       23.5898795274        2.0864277292
  H        18.6183803570       21.0026797572        0.0852451203
  C         5.4995091768        4.1915874730        1.3944425836
  C         4.3872968191        3.3544584125        1.3295582318
  H         6.1090451624        4.1597858974        2.2931348981
  H         4.1579542387        2.7473088704        2.1908846884
  C        24.9117005649       21.1243124967        0.7418644826
  C        23.7822366189       20.3062833638        0.7807913492
  H        25.0899578245       21.7382556182        1.6256200806
  H        23.1678164421       20.3414901436        1.6779258116
  N        13.0124151895       10.1257752025       10.1623906357
  C        12.4902809293        9.3924769956        0.4240776891
  C        11.2376417839        8.6685868561        0.1872139909
  C        10.4662349447        8.8675175475        9.6883293697
  C        10.7401307626        7.7720347862        1.1483328405
  C         1.0910680075        2.8427850325        0.0673512958
  C         3.5206080475        3.4053710820        0.2270419994
  C         2.4259676116        2.4291065137        0.1382039039
  C         5.8073115291        5.0922577874        0.3521587994
  C         2.7974340667        1.0902217699        0.1046724833
  C         0.6824910899        4.2116435308        0.0530885254
  C         4.1581331727        0.6792431057        0.0798315274
  H        12.9124646359        9.2943426440        1.4359833315
  H        10.8138171337        9.4928102479        8.8725996050
  H        11.2731012171        7.6263946056        2.0874593673
  H         1.3753977518        5.0361914434        0.0816809766
  C        34.5075109035       27.7361460594        1.3942923800
  C        35.6192966080       28.5728342304        1.3288605658
  H        33.8977870242       27.7676847748        2.2930132189
  H        35.8488969605       29.1801403528        2.1908224278
  C        15.0949906818       10.8031732362        0.7419567731
  C        16.2245004109       11.6213469951        0.7806965730
  H        14.9167377331       10.1892463808        1.6256166152
  H        16.8388868483       11.5859979301        1.6779486693
  N        26.9942741571       21.8012728211       10.1623060141
  C        27.5164744518       22.5351877509        0.4242422532
  C        28.7690471829       23.2589687348        0.1871933356
  C        29.5406570906       23.0597582190        9.6883854686
  C        29.2666616257       24.1555285981        1.1483006555
  C        38.9160638597       29.0850396215        0.0672371761
  C        36.4860339931       28.5224213828        0.2266671919
  C        37.5801151357       29.4989256927        0.1383723252
  C        34.1994437026       26.8353375446        0.3520909619
  C        37.2097518442       30.8377387835        0.1074381440
  C        39.3242340045       27.7160440430        0.0531693311
  C        35.8492439775       31.2452378235        0.0796104197
  H        27.0942397375       22.6331390416        1.4359039104
  H        29.1929842657       22.4344237040        8.8726259591
  H        28.7335988529       24.3010709221        2.0874261204
  H        38.6313453224       26.8915362407        0.0816786428
  C        34.5087157284        4.1913103930        9.2702122857
  C        35.6206624384        3.3545214987        9.3351750877
  H        33.8990399325        4.1596620416        8.3715347184
  H        35.8501557500        2.7473000759        8.4738221705
  C        15.0944691419       21.1238666148        9.9225030772
  C        16.2234796386       20.3052760888        9.8834276665
  H        14.9163711896       21.7380639326        9.0391087408
  H        16.8383993158       20.3413049787        8.9866679988
  N        26.9947867106       10.1261088221        0.5021880785
  C        27.5172424183        9.3921934664       10.2403637522
  C        28.7699108354        8.6683829708       10.4773765696
  C        29.5414169110        8.8675489497        0.9761651310
  C        29.2676265459        7.7718221048        9.5163269093
  C        38.9174409938        2.8423653625       10.5973452258
  C        36.4875838268        3.4049996933       10.4374106112
  C        37.5817687652        2.4286927803       10.5262560318
  C        34.2006713107        5.0920398717       10.3124540948
  C        37.2111893903        1.0897174157       10.5595052401
  C        39.3256825479        4.2113756546       10.6114434339
  C        35.8510858421        0.6817994800       10.5837138534
  H        27.0950156580        9.2941759599        9.2286785268
  H        29.1936822401        9.4928900365        1.7919451900
  H        28.7345548489        7.6262541695        8.5771463927
  H        38.6326870541        5.0357897141       10.5831282855
  C         5.4981531514       27.7358862258        9.2702371514
  C         4.3860247786       28.5728363463        9.3355850896
  H         6.1076970133       27.7676125794        8.3714519106
  H         4.1564454927       29.1800403348        8.4736380038
  C        24.9123377280       10.8033880090        9.9226267274
  C        23.7833809064       11.6218472581        9.8833875515
  H        25.0904293182       10.1891371031        9.0391006347
  H        23.1684086896       11.5859157325        8.9867125567
  N        13.0117228638       21.8015822171        0.5020785502
  C        12.4896798585       22.5348168256       10.2405578014
  C        11.2369371384       23.2587640148       10.4773472054
  C        10.4653275405       23.0598763253        0.9762647333
  C        10.7392999358       24.1553353400        9.5162530907
  C         1.0896174963       29.0846281991       10.5972126938
  C         3.5194882207       28.5220501893       10.4380623457
  C         2.4247962398       29.4984572362       10.5263129837
  C         5.8061833591       26.8351433012       10.3124682546
  C         2.7956752521       30.8372529089       10.5575366828
  C         0.6811756110       27.7158185241       10.6114618929
  C         4.1566773258       31.2481206998       10.5859997260
  H        12.9118068935       22.6330457766        9.2285852302
  H        10.8129965924       22.4346105652        1.7919438557
  H        11.2722317247       24.3009806479        8.5771208395
  H         1.3741564983       26.8912984746       10.5826684832
  N        20.0044478824       17.9438197810        0.0005661272
  N        20.0023059123       13.9838200655        0.0003336424
  N        -0.0016002375       29.9303731278       -0.0001107108
  N        -0.0001617765        1.9973070417        0.0001144940
  N        18.0662772536       15.9624756212       -0.0015282896
  N        21.9404472897       15.9652451357       -0.0008844293
  N         1.9526776987        0.0001442239       -0.0020949837
  N        38.0555211093        0.0002135707        0.0021061375
 Co        20.0032405493       15.9636817963        0.0012839213
 Co        -0.0001447320       -0.0000334649       -0.0000384636
  C        14.5185650184       11.7592880565        3.9372625310
  C        15.6432673609       12.5759435179        3.9891492327
  H        13.8976316203       11.8020678497        3.0432924293
  H        15.8586429425       13.2034434686        3.1337988177
  C        35.0951895176       26.7671279728        4.5892068461
  C        36.2164589174       27.5931057387        4.5453837066
  H        34.9188999055       26.1485877107        3.7085054036
  H        36.8408465696       27.5488114680        3.6572050690
  N         6.9830371727        5.8399456464        5.8350445614
  C         7.5130339769        6.5748797978        4.9031036142
  C         8.7656216160        7.2952256810        5.1459552262
  C         9.5369071304        7.0974363451        6.3066345013
  C         9.2624585520        8.1914042881        4.1845594904
  C        18.9157607241       13.1221006418        5.2574937222
  C        16.5072006017       12.5363221878        5.0930156072
  C        17.5801558578       13.5372708311        5.1917264582
  C        14.1954402428       10.8680907119        4.9826129734
  C        17.2010795785       14.8739624804        5.2499719554
  C        19.3349496512       11.7563487272        5.2752621366
  C        15.8491170879       15.3046314368        5.2954938361
  H         7.0930027354        6.6670143710        3.8986367722
  H         9.1909206320        6.4705127365        7.1228018434
  H         8.7317255058        8.3375577485        3.2459677504
  H        18.6191948972       10.9168137634        5.2474701599
  C        25.4881400347       20.1680860491        3.9372203147
  C        24.3634918450       19.3515318387        3.9892093344
  H        26.1090679243       20.1253798073        3.0433220935
  H        24.1480626059       18.7239951412        3.1338066485
  C         4.9116328530        5.1605021198        4.5890524469
  C         3.7901767364        4.3342231090        4.5453115975
  H         5.0878706122        5.7788951281        3.7084424260
  H         3.1658381154        4.3786520666        3.6570094653
  N        33.0239128315       26.0875343881        5.8350625258
  C        32.4936125344       25.3523237143        4.9028511891
  C        31.2410980308       24.6321539198        5.1460045831
  C        30.4697738181       24.8297690515        6.3065357958
  C        30.7441920210       23.7359725642        4.1846000239
  C        21.0910683396       18.8053055848        5.2575167719
  C        23.4995861237       19.3910223426        5.0929325198
  C        22.4266923876       18.3901380930        5.1917460685
  C        25.8113193538       21.0593304667        4.9826771827
  C        22.8058306368       17.0533719381        5.2499914289
  C        20.6718347852       20.1710203392        5.2752645349
  C        24.1577648710       16.6227373325        5.2954825871
  H        32.9136655029       25.2604045724        3.8987796817
  H        30.8158300537       25.4567399530        7.1227498447
  H        31.2749722454       23.5898798250        3.2460120315
  H        21.3875428111       21.0105875947        5.2474697209
  C        25.4886130664       11.7592619920        6.7273336697
  C        24.3639408343       12.5758121414        6.6753476059
  H        26.1094829684       11.8020356890        7.6212771854
  H        24.1486314040       13.2034006624        7.5307843057
  C         4.9103706602       26.7669637946        6.0755644804
  C         3.7889640152       27.5930444777        6.1192421230
  H         5.0867097674       26.1485264124        6.9561067108
  H         3.1646229401       27.5487120282        7.0074635695
  N        33.0250622127        5.8397283470        4.8294317629
  C        32.4945817948        6.5750787858        5.7617800470
  C        31.2420594872        7.2951938498        5.5185570058
  C        30.4706670174        7.0976378625        4.3580775976
  C        30.7450550427        8.1913623725        6.4799384084
  C        21.0913510552       13.1220457397        5.4069175900
  C        23.4999878435       12.5363055394        5.5716456546
  C        22.4270261954       13.5371571951        5.4727346697
  C        25.8118550902       10.8680305914        5.6818809891
  C        22.8059357160       14.8739844236        5.4143615761
  C        20.6721604938       11.7563611346        5.3893992086
  C        24.1578240540       15.3047242805        5.3690095683
  H        32.9146907355        6.6669261556        6.7657735336
  H        30.8167946423        6.4706222027        3.5418019529
  H        31.2758311989        8.3374914194        7.4185879548
  H        21.3879954867       10.9168436059        5.4171672264
  C        14.5181276099       20.1680581109        6.7273157740
  C        15.6428520178       19.3514164413        6.6754206246
  H        13.8972754302       20.1252219790        7.6213081676
  H        15.8581355724       18.7238700829        7.5307789909
  C        35.0963387585        5.1602789252        6.0753221830
  C        36.2177368023        4.3341514336        6.1192120597
  H        34.9200492827        5.7787698843        6.9560822625
  H        36.8420917432        4.3786078184        7.0074908773
  N         6.9819712287       26.0873230553        4.8296935709
  C         7.5119704377       25.3525576312        5.7613695611
  C         8.7646783005       24.6321063592        5.5186507650
  C         9.5359821634       24.8298954944        4.3579056003
  C         9.2616282535       23.7359356263        6.4800350752
  C        18.9154668828       18.8052405942        5.4069205162
  C        16.5068056220       19.3910507070        5.5715647239
  C        17.5798402002       18.3901362395        5.4727291096
  C        14.1949079131       21.0592466794        5.6819594217
  C        17.2009758720       17.0533869592        5.4143476616
  C        19.3346151181       20.1709897830        5.3893863398
  C        15.8490518772       16.6226186853        5.3690184740
  H         7.0920209312       25.2603099849        6.7659781046
  H         9.1899329636       25.4567860695        3.5418209617
  H         8.7309369174       23.5897734023        7.4186059263
  H        18.6187512511       21.0104489233        5.4171640243
  C         5.4989957865        4.1907997976        6.7262227866
  C         4.3867468526        3.3537315874        6.6605464976
  H         6.1085962194        4.1592783467        7.6256539448
  H         4.1577176091        2.7466949484        7.5238953446
  C        24.9118276100       21.1234906885        6.0739967203
  C        23.7842328485       20.3044615031        6.1136419691
  H        25.0891843024       21.7383105226        6.9562868853
  H        23.1666259055       20.3411040757        7.0084697285
  N        13.0125475456       10.1257433622        4.8303253954
  C        12.4903517892        9.3922588772        5.7564177842
  C        11.2374395291        8.6683746727        5.5195215986
  C        10.4659534307        8.8673983241        4.3561800392
  C        10.7399168497        7.7717782162        6.4805199302
  C         1.0913481001        2.8421064402        5.3993322704
  C         3.5206393225        3.4049018545        5.5590316941
  C         2.4251654058        2.4270656318        5.4702654721
  C         5.8071915469        5.0918130721        5.6846563388
  C         2.7963582929        1.0901733075        5.4398600315
  C         0.6814456828        4.2108462047        5.3855135507
  C         4.1551721360        0.6643904510        5.4099539439
  H        12.9125582365        9.2939284366        6.7682093186
  H        10.8136867909        9.4928961762        3.5405988595
  H        11.2731258441        7.6261094937        7.4195196034
  H         1.3754014048        5.0351295397        5.4143223492
  C        34.5078782955       27.7365535511        6.7263012810
  C        35.6199810294       28.5733941713        6.6607934025
  H        33.8981774235       27.7679539789        7.6255255221
  H        35.8488580219       29.1804284257        7.5236367070
  C        15.0949305183       10.8037740572        6.0740995254
  C        16.2225696123       11.6229356896        6.1135828664
  H        14.9175792905       10.1889789154        6.9562860793
  H        16.8401425476       11.5861770522        7.0084871684
  N        26.9940750183       21.8015243272        4.8302509729
  C        27.5164602925       22.5351850160        5.7565739409
  C        28.7693285570       23.2589755427        5.5194972568
  C        29.5408379165       23.0600707168        4.3562399083
  C        29.2669357642       24.1555677453        6.4804928802
  C        38.9153569379       29.0850645388        5.3994421929
  C        36.4860785816       28.5225031776        5.5598784256
  C        37.5818439096       29.4999964038        5.4704283682
  C        34.1995775524       26.8355308136        5.6847178799
  C        37.2098639955       30.8369945332        5.4378551488
  C        39.3255349379       27.7161819244        5.3855621862
  C        35.8529244575       31.2623039162        5.4115117758
  H        27.0942207657       22.6333472276        6.7681298352
  H        29.1930287744       22.4345350351        3.5406218391
  H        28.7336443831       24.3011482902        7.4194845207
  H        38.6312949114       26.8921147736        5.4139810318
  C        34.5092350985        4.1907321426        3.9384350715
  C        35.6212796047        3.3540183713        4.0042984356
  H        33.8995031368        4.1593500623        3.0390214550
  H        35.8503728493        2.7468675262        3.1407793400
  C        15.0943976084       21.1235513460        4.5904708026
  C        16.2220860446       20.3044395592        4.5509905900
  H        14.9170126731       21.7383008479        3.7082960659
  H        16.8396366481       20.3412734828        3.6560557121
  N        26.9946731442       10.1258493816        5.8342932684
  C        27.5171687475        9.3921754546        4.9080293206
  C        28.7701134815        8.6683871743        5.1450776871
  C        29.5416797640        8.8672471307        6.3083095677
  C        29.2678202195        7.7717914523        4.1841285161
  C        38.9172692049        2.8419524506        5.2648343545
  C        36.4874431604        3.4047710683        5.1053441345
  C        37.5829000932        2.4268548596        5.1939522995
  C        34.2008114217        5.0917906123        4.9799662864
  C        37.2122612009        1.0899229909        5.2242719208
  C        39.3266852514        4.2107009753        5.2792217546
  C        35.8542663606        0.6649457594        5.2541976143
  H        27.0949432561        9.2939926293        3.8964422345
  H        29.1938290108        9.4927646419        7.1239579613
  H        28.7345420345        7.6261944224        3.2450712180
  H        38.6326541288        5.0348873795        5.2505841397
  C         5.4978006994       27.7364818177        3.9382062102
  C         4.3854227489       28.5735918270        4.0034999868
  H         6.1073248539       27.7680784160        3.0389311716
  H         4.1565017663       29.1805231067        3.1408722891
  C        24.9123486428       10.8038950483        4.5905947062
  C        23.7847068980       11.6228713286        4.5509489866
  H        25.0897165115       10.1891029084        3.7082810327
  H        23.1670988984       11.5861525503        3.6560901172
  N        13.0119140210       21.8016358295        5.8341838104
  C        12.4896825508       22.5350390318        4.9082276216
  C        11.2366685436       23.2589636836        5.1450453026
  C        10.4651516292       23.0599642764        6.3084105187
  C        10.7390311601       24.1555684100        4.1840537542
  C         1.0904299367       29.0848887994        5.2647315316
  C         3.5193511135       28.5223503774        5.1048706295
  C         2.4234385934       29.4997195297        5.1939665594
  C         5.8060628974       26.8355248112        4.9798425928
  C         2.7956169294       30.8367515449        5.2267385528
  C         0.6798855694       27.7160477225        5.2792340581
  C         4.1532909594       31.2631685580        5.2536199460
  H        12.9118054666       22.6334347822        3.8963532464
  H        10.8129366692       22.4345187049        7.1239591999
  H        11.2721763646       24.3012463982        3.2450472438
  H         1.3742020843       26.8920108617        5.2505752118
  N        20.0032659762       17.9509582028        5.3319658859
  N        20.0035627204       13.9763931519        5.3319564172
  N        -0.0015382349       29.9299821491        5.3314651603
  N        -0.0000822540        1.9967283809        5.3315402849
  N        18.0505068328       15.9637217179        5.3319567227
  N        21.9563758777       15.9636302850        5.3319701184
  N         1.9533532221       -0.0005082730        5.3341655637
  N        38.0553489755       -0.0004221046        5.3297055906
 Co        20.0032771864       15.9636760751        5.3317339493
 Co        -0.0002437365        0.0000460140        5.3303331315
  H        24.9713020095       17.3274006750       10.5863411307
  H        24.9728546872       14.5969152212        0.0783941901
  H        15.0356426526       14.5997605499       10.5866209991
  H        15.0338405819       17.3306368412        0.0786777524
  H        15.0222793302       17.3295330774        5.4113068613
  H        15.0223389318       14.5977351506        5.2531611352
  H        24.9845472845       14.5978063914        5.4112960294
  H        24.9844775228       17.3296280846        5.2531479778
     412
 i =        9, E =     -2345.5667075149
  C        14.4915853524       11.7498392397        9.4097620723
  C        15.6112099186       12.5644142958        9.4617866292
  H        13.8492561867       11.7965355561        8.5289299746
  H        15.8262196869       13.2132425896        8.6142533785
  C        35.0288370279       26.7634729124       10.0677043269
  C        36.1458166005       27.5853747982       10.0218446382
  H        34.8582375691       26.1214197593        9.2019078234
  H        36.7885602478       27.5353947691        9.1486258196
  N         6.9738118318        5.8438769507        0.5096629940
  C         7.5039522468        6.5753963686       10.3910100457
  C         8.7540216431        7.2963561888       10.6246007236
  C         9.5207559941        7.0973741565        0.9835419246
  C         9.2509397778        8.1908097950        9.6529022681
  C        18.8740719124       13.1236115891       10.7363155050
  C        16.4727779388       12.5281332516       10.5689115173
  C        17.5484324899       13.5307909800       10.6703751410
  C        14.1682621367       10.8601933207       10.4634018526
  C        17.1730670442       14.8670420884       10.7273943696
  C        19.2869624103       11.7467495014       10.7523229210
  C        15.8137214527       15.2828471133       10.7763299018
  H         7.0778233786        6.6526122895        9.3849437153
  H         9.1805064970        6.4434376008        1.7830853893
  H         8.6897289481        8.3504325821        8.7297498954
  H        18.5875541870       10.9178411906       10.7204422110
  C        25.4452973474       20.1693853439        9.4097916471
  C        24.3256909863       19.3548133264        9.4618091975
  H        26.0876499969       20.1226660406        8.5288969045
  H        24.1106582980       18.7059670649        8.6142589758
  C         4.9080111944        5.1556792068       10.0676057033
  C         3.7910287829        4.3338496015       10.0220631485
  H         5.0786007167        5.7976780310        9.2019708705
  H         3.1483118565        4.3836909183        9.1488265882
  N        32.9631005738       26.0753809728        0.5097340900
  C        32.4328171508       25.3437349140       10.3910373502
  C        31.1829145431       24.6228623644       10.6245786814
  C        30.4160473649       24.8217369148        0.9834623164
  C        30.6859242767       23.7284214606        9.6529765688
  C        21.0629361616       18.7957353897       10.7365912448
  C        23.4641659052       19.3911439172       10.5689352959
  C        22.3886227207       18.3885410812       10.6706339672
  C        25.7686656501       21.0590445039       10.4634102627
  C        22.7639764467       17.0522887034       10.7280290006
  C        20.6499804567       20.1726117240       10.7524045767
  C        24.1233243629       16.6363948068       10.7762860738
  H        32.8591120319       25.2666343343        9.3849131404
  H        30.7563435993       25.4757633999        1.7831391899
  H        31.2471924952       23.5687704750        8.7297021729
  H        21.3493938364       21.0015495902       10.7204683862
  C        25.4457068967       11.7493836759        1.4040451022
  C        24.3258992863       12.5634697738        1.3524727910
  H        26.0880853063       11.7964771724        2.2846965480
  H        24.1111707403       13.2130897194        2.1995446560
  C         4.9066936948       26.7634227005        0.7459861238
  C         3.7897152177       27.5852554800        0.7918268532
  H         5.0773596988       26.1214855233        1.6115516099
  H         3.1470084873       27.5353507141        1.6648726115
  N        32.9643408514        5.8438047412       10.3038286599
  C        32.4338658391        6.5754464141        0.4224744946
  C        31.1839085169        7.2963083702        0.1889725756
  C        30.4170792871        7.0974720536        9.8301124045
  C        30.6868086835        8.1907466397        1.1605440935
  C        21.0642142036       13.1235709033        0.0778566380
  C        23.4652479344       12.5278924889        0.2449620996
  C        22.3892073382       13.5306952614        0.1442681209
  C        25.7691295528       10.8602114204        0.3500945630
  C        22.7648062433       14.8661644466        0.0842102406
  C        20.6549981840       11.7451362057        0.0621310850
  C        24.1246940014       15.2796809814        0.0361350526
  H        32.8601542786        6.6525921687        1.4286815757
  H        30.7574198305        6.4434505137        9.0304056381
  H        31.2480442418        8.3504276960        2.0838694147
  H        21.3537986473       10.9155011077        0.0924646605
  C        14.4911018605       20.1697735958        1.4040782578
  C        15.6109509567       19.3556822983        1.3524901871
  H        13.8487752162       20.1226905634        2.2846728987
  H        15.8256654803       18.7060993606        2.1995315093
  C        35.0301227163        5.1555635195        0.7457746844
  C        36.1471968005        4.3337225530        0.7913535267
  H        34.8595091840        5.7976600050        1.6116373942
  H        36.7899004991        4.3837167111        1.6647883251
  N         6.9726419051       26.0753318911       10.3038972646
  C         7.5028055258       25.3438150393        0.4225034003
  C         8.7529516924       24.6228389540        0.1889451134
  C         9.5197962871       24.8217828057        9.8300108737
  C         9.2499580670       23.7284161658        1.1606478188
  C        18.8726915822       18.7957146002        0.0779471278
  C        16.4715799524       19.3912935153        0.2449389265
  C        17.5476820535       18.3885087791        0.1441294660
  C        14.1677033489       21.0589312723        0.3501151993
  C        17.1721011005       17.0531451722        0.0835942836
  C        19.2818284603       20.1741744670        0.0617791599
  C        15.8122357558       16.6394932095        0.0365157790
  H         7.0767196575       25.2666039398        1.4285321418
  H         9.1795116827       25.4756909087        9.0304835258
  H         8.6888224566       23.5687571850        2.0838011162
  H        18.5830026836       21.0037233259        0.0923702467
  C         5.4920070712        4.1950551548        1.3981615529
  C         4.3883955013        3.3605814537        1.3309388040
  H         6.1232674162        4.1617773088        2.2870409555
  H         4.1591384000        2.7300937710        2.1852698462
  C        24.8721740934       21.1180085526        0.7469804566
  C        23.7445154556       20.3042911667        0.7888586578
  H        25.0450171842       21.7526119788        1.6168160889
  H        23.1126797703       20.3421567562        1.6718740906
  N        12.9859676269       10.1196770789       10.3023617516
  C        12.4630415952        9.3858073360        0.4217412519
  C        11.2135605281        8.6635577517        0.1893192298
  C        10.4473385789        8.8631940820        9.8284732942
  C        10.7175587702        7.7692590336        1.1613068284
  C         1.0938433055        2.8494577297        0.0670391165
  C         3.5195146097        3.4058102413        0.2295454393
  C         2.4205969999        2.4341296775        0.1401829662
  C         5.8000086293        5.0951927509        0.3520962715
  C         2.7973212976        1.0949236558        0.1116692220
  C         0.6799927499        4.2213915179        0.0544762014
  C         4.1689592928        0.6782537385        0.0840877768
  H        12.8933470027        9.3045601113        1.4299906736
  H        10.7897368960        9.5165228636        9.0282687813
  H        11.2803034510        7.6096004019        2.0845126249
  H         1.3772724259        5.0447731627        0.0875898268
  C        34.4449837969       27.7241095208        1.3978652678
  C        35.5484689282       28.5586052091        1.3304078284
  H        33.8136845608       27.7574539426        2.2870732304
  H        35.7778845304       29.1891363996        2.1852465848
  C        15.0646688636       10.8011593985        0.7470074133
  C        16.1923595135       11.6149180966        0.7888461515
  H        14.8918342979       10.1665785797        1.6167903684
  H        16.8241468243       11.5770166594        1.6718439801
  N        26.9508951270       21.7995032496       10.3023463853
  C        27.4738702171       22.5334000400        0.4217050738
  C        28.7232501623       23.2556093932        0.1893433538
  C        29.4895790172       23.0560550540        9.8285235792
  C        29.2192848995       24.1498778403        1.1612417852
  C        38.8428271234       29.0700897487        0.0669208661
  C        36.4173724209       28.5135839456        0.2289959156
  C        37.5162951139       29.4849351847        0.1410119813
  C        34.1368910006       26.8240281094        0.3520154432
  C        37.1403684667       30.8246699713        0.1147674655
  C        39.2569647528       27.6979886205        0.0543437930
  C        35.7678599062       31.2386974265        0.0837025479
  H        27.0434593237       22.6145988086        1.4300283635
  H        29.1471521575       22.4026767216        9.0282490755
  H        28.6565052052       24.3095753661        2.0845609513
  H        38.5595792859       26.8745576946        0.0876002458
  C        34.4462980961        4.1951164393        9.4155598691
  C        35.5498968623        3.3607128514        9.4827887801
  H        33.8149466845        4.1617461824        8.5263934566
  H        35.7792207839        2.7300929804        8.6281759112
  C        15.0639235052       21.1177050095       10.0663663203
  C        16.1911241471       20.3034329590       10.0242034969
  H        14.8914346528       21.7525526344        9.1969254964
  H        16.8235784135       20.3420359767        9.1417176523
  N        26.9514492193       10.1197411206        0.5111070613
  C        27.4746520577        9.3858184837       10.3918576335
  C        28.7241288444        8.6635949427       10.6242045373
  C        29.4904157583        8.8630986849        0.9849881710
  C        29.2202664573        7.7693140656        9.6523440038
  C        38.8444448684        2.8491980055       10.7466593542
  C        36.4189588844        3.4056668034       10.5840124204
  C        37.5179044884        2.4344592532       10.6731749800
  C        34.1381769960        5.0951795979       10.4614785162
  C        37.1419774226        1.0947457869       10.7014387711
  C        39.2585290402        4.2212843715       10.7590626766
  C        35.7697693347        0.6801314675       10.7285231342
  H        27.0442697850        9.3045335205        9.3835183786
  H        29.1479443021        9.5164579094        1.7852873014
  H        28.6575247170        7.6095774958        8.7289845148
  H        38.5609886131        5.0446366414       10.7261864379
  C         5.4905785174       27.7241784242        9.4155378940
  C         4.3869747636       28.5586746164        9.4829876866
  H         6.1217121616       27.7574886919        8.5265579299
  H         4.1575112216       29.1890131549        8.6284132146
  C        24.8729706395       10.8015305410       10.0664112335
  C        23.7457933995       11.6157911750       10.0242319782
  H        25.0454691989       10.1666362462        9.1969032117
  H        23.1133134513       11.5771733297        9.1417321037
  N        12.9853210828       21.7994594548        0.5110887794
  C        12.4623421270       22.5333470581       10.3918087617
  C        11.2127458856       23.2556230325       10.6242252547
  C        10.4463967594       23.0560522018        0.9850561321
  C        10.7166486140       24.1499273507        9.6522504702
  C         1.0924112633       29.0698346082       10.7464588268
  C         3.5182286806       28.5134427887       10.5845684345
  C         2.4191722912       29.4851999749       10.6727067325
  C         5.7987635174       26.8240369043       10.4615271996
  C         2.7955059744       30.8245256177       10.6992167686
  C         0.6785450916       27.6979261997       10.7592191766
  C         4.1673179680       31.2409823837       10.7307726432
  H        12.8926041714       22.6146721519        9.3835607813
  H        10.7888590925       22.4027518289        1.7852322261
  H        11.2793369918       24.3096135182        8.7290405892
  H         1.3758522387       26.8746110706       10.7257162071
  N        19.9691636894       17.9438381043        0.0003542822
  N        19.9677274911       13.9754067388        0.0006644149
  N        -0.0015720100       29.9195656562       -0.0001028275
  N        -0.0000259289        1.9996615178        0.0001009712
  N        18.0249187378       15.9584953981       -0.0013477107
  N        21.9119469518       15.9608027349       -0.0013744627
  N         1.9494646427        0.0000627177       -0.0015660451
  N        37.9895317476        0.0001432290        0.0015804135
 Co        19.9682338472       15.9593482783        0.0011776417
 Co        -0.0004777352       -0.0000744826       -0.0000609177
  C        14.4915698502       11.7494434618        4.0026042981
  C        15.6102546142       12.5650859970        4.0554202694
  H        13.8489501004       11.7960582884        3.1224432534
  H        15.8260468896       13.2147462684        3.2085081205
  C        35.0292456864       26.7640195731        4.6609471960
  C        36.1461173375       27.5862107142        4.6155005619
  H        34.8589294121       26.1215907932        3.7950343440
  H        36.7889646301       27.5359986649        3.7416207251
  N         6.9735160222        5.8438169416        5.9165532326
  C         7.5036745191        6.5752141130        4.9844752795
  C         8.7536423876        7.2961509008        5.2178561731
  C         9.5204705682        7.0972801313        6.3903299305
  C         9.2506848843        8.1905465810        4.2462014673
  C        18.8757118144       13.1171322694        5.3310037114
  C        16.4718762194       12.5280525346        5.1626955349
  C        17.5481922761       13.5301377858        5.2642232438
  C        14.1685199947       10.8600552202        5.0562651803
  C        17.1648006589       14.8658920380        5.3207602037
  C        19.2849484425       11.7349274945        5.3464550140
  C        15.7977129420       15.2803527034        5.3687407324
  H         7.0775614988        6.6523872297        3.9784180789
  H         9.1803464450        6.4432585802        7.1898971926
  H         8.6894180447        8.3503742181        3.3230850644
  H        18.5842872292       10.9060245038        5.3150699218
  C        25.4452747371       20.1697465090        4.0026192719
  C        24.3266239632       19.3541238967        4.0554383808
  H        26.0879257085       20.1231186316        3.1224102287
  H        24.1107972862       18.7044261456        3.2085028855
  C         4.9076096727        5.1553032032        4.6608455817
  C         3.7907860910        4.3330886543        4.6151013114
  H         5.0779649413        5.7976289115        3.7950590703
  H         3.1479715273        4.3832572824        3.7415655952
  N        32.9634569834       26.0754577029        5.9166011796
  C        32.4330428122       25.3438486957        4.9844341904
  C        31.1832467981       24.6230405522        5.2178301321
  C        30.4163666503       24.8218503120        6.3902407914
  C        30.6861213968       23.7286388184        4.2462680875
  C        21.0612490067       18.8020753419        5.3310316153
  C        23.4650228575       19.3911635228        5.1626872206
  C        22.3888086317       18.3890699179        5.2642377166
  C        25.7683631475       21.0591461919        5.0562686624
  C        22.7722017702       17.0532708429        5.3207912907
  C        20.6519447629       20.1842756935        5.3464571145
  C        24.1392934688       16.6388363308        5.3687267403
  H        32.8593246504       25.2667776153        3.9783301079
  H        30.7565436560       25.4759699672        7.1899310307
  H        31.2474596332       23.5687903967        3.3230377143
  H        21.3525833735       21.0132256747        5.3150702531
  C        25.4457775704       11.7494381537        6.8108894545
  C        24.3271065901       12.5650726648        6.7580867972
  H        26.0883489508       11.7961399883        7.6911561331
  H        24.1114115026       13.2148018780        7.6050474105
  C         4.9062874267       26.7640021027        6.1527151963
  C         3.7894547866       27.5860891461        6.1982020209
  H         5.0766810180       26.1216769898        7.0184295170
  H         3.1466325521       27.5359726484        7.0718484858
  N        32.9646302173        5.8437074637        4.8969351635
  C        32.4341323234        6.5753089361        5.8290358165
  C        31.1842847653        7.2961493203        5.5957042813
  C        30.4173524186        7.0973672247        4.4233045357
  C        30.6870539160        8.1905288191        6.5672515725
  C        21.0615769175       13.1171109447        5.4823003830
  C        23.4654585360       12.5280006722        5.6508628930
  C        22.3891544989       13.5300584963        5.5491749865
  C        25.7689478322       10.8600458177        5.7572534332
  C        22.7723235641       14.8659094876        5.4924551786
  C        20.6522842905       11.7349361692        5.4671773888
  C        24.1393566014       15.2804902244        5.4447352991
  H        32.8604257873        6.6523954023        6.8352242292
  H        30.7575838203        6.4432424800        3.6235868846
  H        31.2483637325        8.3504191017        7.4905294200
  H        21.3530454599       10.9060574418        5.4985593470
  C        14.4910712570       20.1697475167        6.8109258606
  C        15.6097827781       19.3541026638        6.7581014833
  H        13.8485474893       20.1230567835        7.6911325875
  H        15.8254595708       18.7044035367        7.6050353269
  C        35.0305236756        5.1552191886        6.1525717179
  C        36.1474845156        4.3329321978        6.1982729078
  H        34.8601593634        5.7976346807        7.0185531057
  H        36.7902729763        4.3833011755        7.0720783117
  N         6.9722922568       26.0753717920        4.8970713644
  C         7.5025723421       25.3439683585        5.8291065951
  C         8.7526326389       24.6230212765        5.5956827742
  C         9.5194782412       24.8218520357        4.4232228576
  C         9.2497633614       23.7286516748        6.5673580935
  C        18.8753866422       18.8020537549        5.4823100682
  C        16.4714404068       19.3911621694        5.6508442034
  C        17.5478549733       18.3891025704        5.5491594468
  C        14.1679323025       21.0591205465        5.7572729144
  C        17.1646763646       17.0533026245        5.4924354824
  C        19.2846161067       20.1842385820        5.4671637306
  C        15.7976474293       16.6386988644        5.4447470275
  H         7.0765135967       25.2667731952        6.8351166708
  H         9.1793123777       25.4758621618        3.6236914077
  H         8.6885512497       23.5687844339        7.4904560780
  H        18.5838334195       21.0130523629        5.4985536632
  C         5.4913623511        4.1942014355        6.8045658304
  C         4.3876570163        3.3598353152        6.7367411411
  H         6.1227196694        4.1613249300        7.6940070358
  H         4.1589186079        2.7297465465        7.5922463748
  C        24.8728742152       21.1174394983        6.1536698947
  C        23.7466731090       20.3029273056        6.1966047240
  H        25.0441149487       21.7530488531        7.0221110806
  H        23.1112975249       20.3417837988        7.0769821571
  N        12.9863055826       10.1195674797        4.8957897616
  C        12.4630887854        9.3856639096        5.8285595316
  C        11.2134232980        8.6635100688        5.5961370480
  C        10.4470219047        8.8629557172        4.4218166697
  C        10.7172738335        7.7690681271        6.5679899653
  C         1.0939414743        2.8491205843        5.4734201798
  C         3.5190125584        3.4050555955        5.6360464224
  C         2.4212681847        2.4314214674        5.5474478594
  C         5.7997778307        5.0948208857        5.7590100401
  C         2.7978442522        1.0945533175        5.5218507437
  C         0.6804623368        4.2206372270        5.4612632785
  C         4.1642442814        0.6725610908        5.4897567636
  H        12.8934351020        9.3041864397        6.8366957074
  H        10.7895813276        9.5164840778        3.6218151330
  H        11.2803125232        7.6093764568        7.4910670706
  H         1.3773759778        5.0438233364        5.4947742941
  C        34.4455276577       27.7249004500        6.8045788429
  C        35.5491502498       28.5591849440        6.7369087102
  H        33.8139742170       27.7578540250        7.6941200807
  H        35.7777994117       29.1894965031        7.5923339284
  C        15.0639979018       10.8017384838        6.1537102746
  C        16.1902112078       11.6162798102        6.1966040836
  H        14.8927629801       10.1661557886        7.0220969351
  H        16.8255655574       11.5774110265        7.0769678012
  N        26.9505102438       21.7995801847        4.8957667497
  C        27.4738546233       22.5335728556        5.8285328199
  C        28.7234157857       23.2556804249        5.5961623158
  C        29.4898350621       23.0562511015        4.4218658146
  C        29.2196087935       24.1500957570        6.5679300476
  C        38.8432693648       29.0697650872        5.4734060242
  C        36.4180269287       28.5141022167        5.6366092056
  C        37.5158374891       29.4872904579        5.5470973479
  C        34.1370986125       26.8243977599        5.7591271130
  C        37.1391144320       30.8241408823        5.5193803212
  C        39.2566904200       27.6981158925        5.4614662259
  C        35.7729838210       31.2464596521        5.4913837338
  H        27.0434092832       22.6150006661        6.8367326101
  H        29.1472520050       22.4026732951        3.6217909217
  H        28.6565257749       24.3098257400        7.4911167912
  H        38.5593848779       26.8751526773        5.4944437770
  C        34.4469841559        4.1942349714        4.0091272905
  C        35.5506345749        3.3599385128        4.0769900211
  H        33.8154839532        4.1612538612        3.1194058221
  H        35.7794269931        2.7296743598        3.2211863340
  C        15.0634287641       21.1174143588        4.6598394810
  C        16.1897068308       20.3029375753        4.6169364953
  H        14.8921750865       21.7529427095        3.7914499259
  H        16.8250280248       20.3418883695        3.7365419041
  N        26.9511633873       10.1196234008        5.9177417011
  C        27.4746153890        9.3856330862        4.9850451725
  C        28.7242573164        8.6635267249        5.2173807555
  C        29.4907301781        8.8629071365        6.3916423563
  C        29.2205422867        7.7691034848        4.2456603141
  C        38.8447716884        2.8489799457        5.3395729694
  C        36.4194972077        3.4048947205        5.1775147822
  C        37.5173221147        2.4314163749        5.2655954965
  C        34.1383989466        5.0947883341        5.0545850748
  C        37.1413791308        1.0943536339        5.2911469056
  C        39.2580976120        4.2204892997        5.3524865709
  C        35.7743701013        0.6725721604        5.3234027519
  H        27.0442048283        9.3041654713        3.9767987420
  H        29.1481142223        9.5164458839        7.1917579250
  H        28.6575259632        7.6093485865        3.3224084015
  H        38.5608399074        5.0435918388        5.3191676722
  C         5.4900849189       27.7249130469        4.0088315265
  C         4.3863225891       28.5591735207        4.0764371037
  H         6.1214247522       27.7578470009        3.1195224299
  H         4.1576311597       29.1893236055        3.2213522404
  C        24.8734389955       10.8017760874        4.6598843889
  C        23.7471823770       11.6162307512        4.6169607172
  H        25.0446973082       10.1662090823        3.7914171937
  H        23.1118302948       11.5772891461        3.7365461166
  N        12.9856490484       21.7996070998        5.9177214053
  C        12.4623537662       22.5334981848        4.9849942400
  C        11.2125753194       23.2556644085        5.2174050276
  C        10.4461474728       23.0562562141        6.3917070176
  C        10.7163367944       24.1501065623        4.2455633081
  C         1.0923913230       29.0695990191        5.3395232766
  C         3.5176525232       28.5138970160        5.1768750834
  C         2.4197769910       29.4872190909        5.2662377625
  C         5.7985381309       26.8243804395        5.0544086056
  C         2.7967468376       30.8239371290        5.2940962528
  C         0.6789182328       27.6979760768        5.3523095107
  C         4.1621925958       31.2468578063        5.3227877759
  H        12.8926314955       22.6150092638        3.9768461249
  H        10.7887442218       22.4027797182        7.1917067699
  H        11.2793032043       24.3098119108        3.3224654916
  H         1.3760363817       26.8750741456        5.3191423256
  N        19.9682919770       17.9509597855        5.4063965399
  N        19.9686172827       13.9682281758        5.4063877155
  N        -0.0016142630       29.9180924588        5.4057969708
  N        -0.0000378940        2.0006269835        5.4058553661
  N        18.0107956067       15.9596452048        5.4063965286
  N        21.9261457523       15.9595424834        5.4064006968
  N         1.9518067821       -0.0002576479        5.4077329897
  N        37.9884362304       -0.0001555544        5.4050194120
 Co        19.9682394799       15.9595938454        5.4064561791
 Co        -0.0008026692        0.0005798245        5.4051427287
  H        24.9406324641       17.3229857329       10.7339548598
  H        24.9421871533       14.5928144679        0.0798491114
  H        14.9964616877       14.5962749066       10.7342272834
  H        14.9947372906       17.3262912969        0.0801682226
  H        14.9834395285       17.3231366546        5.4873679642
  H        14.9834929429       14.5959336394        5.3260936694
  H        24.9535721698       14.5960062099        5.4873577028
  H        24.9535101980       17.3232960204        5.3260769767
     412
 i =       10, E =     -2345.5784521247
  C        14.4927660868       11.7489016232        9.4067098776
  C        15.6148889995       12.5649903213        9.4573504586
  H        13.8472468610       11.7993254102        8.5328913230
  H        15.8308858620       13.2241810297        8.6163757531
  C        35.0354630051       26.7767936913       10.0642900600
  C        36.1540096021       27.5983724490       10.0183187846
  H        34.8647174744       26.1277480016        9.2081620868
  H        36.8021878335       27.5476751209        9.1499061607
  N         6.9779085921        5.8479789221        0.5130727262
  C         7.5048432454        6.5748623279       10.3937738102
  C         8.7577766983        7.2978473640       10.6244120740
  C         9.5215060414        7.1035361945        0.9857437539
  C         9.2524688631        8.1913958107        9.6467660337
  C        18.8801589415       13.1300914650       10.7354415563
  C        16.4724656047       12.5317394992       10.5664485042
  C        17.5560126926       13.5326509427       10.6689774623
  C        14.1726061210       10.8641824679       10.4632088057
  C        17.1814680699       14.8715905099       10.7251559688
  C        19.2925514634       11.7485187897       10.7514554647
  C        15.8130442249       15.2868121705       10.7719280552
  H         7.0782090211        6.6551552593        9.3834016844
  H         9.1800542516        6.4396513854        1.7762698282
  H         8.6869005632        8.3550849284        8.7312254273
  H        18.5948160846       10.9209863846       10.7156412042
  C        25.4544469160       20.1838111645        9.4067231232
  C        24.3323123818       19.3676976166        9.4573460761
  H        26.0999653353       20.1333531917        8.5328631062
  H        24.1163047121       18.7085115110        8.6163906712
  C         4.9117599306        5.1558240830       10.0643325843
  C         3.7931765069        4.3343552135       10.0185773240
  H         5.0824311204        5.8048397816        9.2081939854
  H         3.1449924248        4.3848673297        9.1501449102
  N        32.9692529782       26.0846207216        0.5130581659
  C        32.4423610885       25.3578867457       10.3939050294
  C        31.1894406028       24.6348427072       10.6243937272
  C        30.4256813448       24.8290896508        0.9857336455
  C        30.6947526100       23.7413072542        9.6467733661
  C        21.0671393626       18.8027061763       10.7356763180
  C        23.4747899463       19.4010434791       10.5665030644
  C        22.3913157943       18.4001470573       10.6692293920
  C        25.7746151136       21.0685234977       10.4632022173
  C        22.7658322861       17.0612317896       10.7257228254
  C        20.6547024736       20.1843297941       10.7515224539
  C        24.1343143870       16.6459349210       10.7718962312
  H        32.8690274331       25.2775616399        9.3833582177
  H        30.7671173844       25.4929692921        1.7762937453
  H        31.2603109538       23.5776002627        8.7312027762
  H        21.3524339689       21.0118916351       10.7156972297
  C        25.4549126637       11.7483687879        1.4047001087
  C        24.3324915015       12.5640727447        1.3544997352
  H        26.1004635241       11.7992188441        2.2783644657
  H        24.1168290519       13.2239572682        2.1950272837
  C         4.9104683032       26.7767764949        0.7468398523
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  H        15.8303471008       18.7086751799        2.1950189828
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  H         1.3765477308        5.0504974860        0.0893927905
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  H        16.8332467086       11.5823582486        1.6687986488
  N        26.9589003963       21.8092841350       10.2969518281
  C        27.4809182592       22.5408440537        0.4187697395
  C        28.7325140822       23.2635718053        0.1869897122
  C        29.4951819897       23.0692183118        9.8245168343
  C        29.2258018201       24.1569475421        1.1647844102
  C        38.8523306465       29.0844317011        0.0655342579
  C        36.4233138043       28.5235241361        0.2290304323
  C        37.5294531874       29.4966112220        0.1406666821
  C        34.1445932716       26.8344273016        0.3490245049
  C        37.1510971249       30.8340044122        0.1152098884
  C        39.2674648008       27.7078671400        0.0526911300
  C        35.7725903429       31.2576893293        0.0834428038
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  H        29.1520450917       22.4058098792        9.0327296768
  H        28.6592133413       24.3209376536        2.0802678848
  H        38.5706689047       26.8823110455        0.0893981453
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  C        35.5591218854        3.3663786743        9.4794692110
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  H        35.7878367594        2.7246264185        8.6312765650
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  C        16.1933390291       20.3111726103       10.0207162534
  H        14.8925253417       21.7667816019        9.2017047362
  H        16.8326499536       20.3501081476        9.1423183069
  N        26.9594766417       10.1234120694        0.5140788907
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  C        28.7333502603        8.6691021934       10.6241317747
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  C        29.2267382293        7.7757079314        9.6463625262
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  C        36.4248247078        3.4092309635       10.5816571142
  C        37.5309451135        2.4361773378       10.6712837243
  C        34.1458421458        5.0982231943       10.4620288221
  C        37.1527548903        1.0988761092       10.6983762131
  C        39.2689757663        4.2248891387       10.7582458967
  C        35.7743987074        0.6746037583       10.7264666086
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  H        38.5720388381        5.0503611772       10.7219430127
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  C         4.3881355520       28.5663565702        9.4797302548
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  H         4.1591931302       29.2079648979        8.6315767064
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  C        23.7538559718       11.6215552033       10.0207506941
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  H        23.1145541624       11.5825781261        9.1423314246
  N        12.9877075221       21.8091689169        0.5140972549
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  C        11.2138250991       23.2636103717       10.6241363062
  C        10.4510965698       23.0692464047        0.9865911063
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  C         1.0933299247       29.0844201691       10.7454160223
  C         3.5225922650       28.5234866003       10.5820603160
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  C         2.7949500533       30.8340942942       10.6963589619
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  H        10.7943060781       22.4058540474        1.7783446306
  H        11.2869939787       24.3209935045        8.7308811642
  H         1.3751178025       26.8823626929       10.7215042231
  N        19.9742873790       17.9479478498        0.0002390222
  N        19.9729178342       13.9847335089        0.0007398660
  N        -0.0015733103       29.9375275705       -0.0000854743
  N        -0.0000566224        1.9951135672        0.0000781194
  N        18.0320400128       15.9650437665       -0.0012272718
  N        21.9151640775       15.9676296758       -0.0014908668
  N         1.9463583006        0.0000489974       -0.0013044862
  N        38.0030969771        0.0001278355        0.0013174384
 Co        19.9734590746       15.9661186209        0.0010481361
 Co        -0.0003586540       -0.0000517809       -0.0000711430
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  H        13.8468295938       11.7988156413        3.1274327277
  H        15.8306627398       13.2256312968        3.2119678001
  C        35.0358250564       26.7773428860        4.6588133509
  C        36.1544910862       27.5992196157        4.6131135188
  H        34.8654223107       26.1279571609        3.8025586364
  H        36.8024487091       27.5483205543        3.7443788516
  N         6.9774989807        5.8478043417        5.9188674378
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  C         9.2522001106        8.1911277754        4.2412612404
  C        18.8797157131       13.1237555409        5.3310633630
  C        16.4718767856       12.5316355893        5.1611089763
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  C        14.1726786923       10.8639796307        5.0572515066
  C        17.1725582875       14.8709433344        5.3198812332
  C        19.2906594781       11.7379167469        5.3467725192
  C        15.7991587853       15.2863438298        5.3658393825
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  H         9.1798681205        6.4394713805        7.1818683245
  H         8.6865860430        8.3550040859        3.3257784459
  H        18.5918894118       10.9094257458        5.3116710351
  C        25.4545313758       20.1840112170        4.0008262728
  C        24.3330096397       19.3671797860        4.0522224916
  H        26.1003751466       20.1338162909        3.1274007650
  H        24.1165188474       18.7070049400        3.2119694074
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  C         3.7928078085        4.3335244055        4.6127461148
  H         5.0818114854        5.8047675095        3.8025498785
  H         3.1447819974        4.3844182578        3.7442530902
  N        32.9696676702       26.0848098504        5.9188234022
  C        32.4426062951       25.3579476174        4.9884364855
  C        31.1897829844       24.6350070486        5.2188721849
  C        30.4259956580       24.8292242124        6.3912968185
  C        30.6949842489       23.7415115820        4.2412661370
  C        21.0675691891       18.8088896218        5.3310904274
  C        23.4753461464       19.4010546458        5.1611275446
  C        22.3910398485       18.3996616004        5.2641420836
  C        25.7745203323       21.0686675947        5.0572376511
  C        22.7747355328       17.0616962817        5.3199102344
  C        20.6565675238       20.1947529132        5.3467737744
  C        24.1481728152       16.6463162029        5.3658260115
  H        32.8692646400       25.2777039776        3.9779966589
  H        30.7673223125       25.4931981055        7.1818712949
  H        31.2606003623       23.5776195907        3.3257564014
  H        21.3553033452       21.0232843694        5.3116720506
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  C        24.3334807296       12.5654884335        6.7588720140
  H        26.1007833949       11.7989056946        7.6837403287
  H        24.1171249322       13.2256857996        7.5991506941
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  C         3.7914840539       27.5991344785        6.1980704680
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  H         3.1434783102       27.5482970630        7.0666837922
  N        32.9708266912        5.8478155279        4.8922893739
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  C        31.1907929525        7.2976466013        5.5922262376
  C        30.4269688862        7.1034479030        4.4198101934
  C        30.6959059619        8.1911237278        6.5698384999
  C        21.0678963744       13.1237598678        5.4797793502
  C        23.4757694686       12.5315812916        5.6499961991
  C        22.3913713108       13.5329362329        5.5468327822
  C        25.7750997271       10.8639859833        5.7538589763
  C        22.7748612272       14.8709469535        5.4908784223
  C        20.6568936489       11.7379149591        5.4644274888
  C        24.1482359195       15.2864775131        5.4452054415
  H        32.8703314594        6.6549353929        6.8331216653
  H        30.7683364353        6.4394888213        3.6292200395
  H        31.2614747127        8.3550534259        7.4853799342
  H        21.3557370067       10.9094673479        5.4995392656
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  H        15.8300640749       18.7069856254        7.5991451385
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  C        36.1558109580        4.3334066914        6.1982957902
  H        34.8666298626        5.8047422562        7.0086050257
  H        36.8037378629        4.3844661736        7.0669433712
  N         6.9762997977       26.0848574074        4.8923122464
  C         7.5035119647       25.3579140738        5.8227859899
  C         8.7564089684       24.6350093625        5.5922143394
  C         9.5202390992       24.8291436821        4.4198231393
  C         9.2512978494       23.7415421265        6.5698481911
  C        18.8793940790       18.8088991305        5.4797897927
  C        16.4714531164       19.4010368738        5.6499979693
  C        17.5559273613       18.3997197011        5.5468195518
  C        14.1720967079       21.0686633543        5.7538566428
  C        17.1724307751       17.0617171422        5.4908587300
  C        19.2903385122       20.1947136282        5.4644157155
  C        15.7990978227       16.6461634707        5.4452154028
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  H         9.1788716271       25.4931094215        3.6292869705
  H         8.6857239748       23.5776159296        7.4853442293
  H        18.5914616649       21.0231120278        5.4995328633
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  C         4.3888817301        3.3655882275        6.7367486699
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  H         4.1605940517        2.7243815420        7.5851479498
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  C        23.7544237343       20.3108186354        6.1963444051
  H        25.0534803403       21.7675146176        7.0139585907
  H        23.1126147158       20.3499228393        7.0728368414
  N        12.9886170507       10.1232185653        4.8915339190
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  C        10.4517284751        8.8632532706        4.4190500995
  C        10.7210821527        7.7754833821        6.5702781330
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  C        34.4519352291       27.7312247930        6.8023896631
  C        35.5582986547       28.5670025259        6.7369663833
  H        33.8171106996       27.7676565220        7.6855482211
  H        35.7864275576       29.2083323304        7.5852888973
  C        15.0653411513       10.8073262469        6.1535846018
  C        16.1927640707       11.6218398613        6.1963528135
  H        14.8937137445       10.1651511256        7.0139567042
  H        16.8345682292       11.5827440287        7.0728216956
  N        26.9585881636       21.8094496520        4.8915489208
  C        27.4808495883       22.5410068844        5.8243315044
  C        28.7326313962       23.2636348659        5.5926008237
  C        29.4954236334       23.0693734470        4.4190656907
  C        29.2260710352       24.1571500307        6.5702688170
  C        38.8522265945       29.0844587317        5.4707525619
  C        36.4241235031       28.5242552023        5.6351160771
  C        37.5288378677       29.4979602107        5.5453556010
  C        34.1449457385       26.8348581640        5.7547935038
  C        37.1509225933       30.8341337134        5.5187168256
  C        39.2671770544       27.7080067537        5.4586150562
  C        35.7766725024       31.2565710596        5.4909593260
  H        27.0491732568       22.6242351526        6.8330929847
  H        29.1521743643       22.4057987105        3.6274846508
  H        28.6592361335       24.3212200260        7.4856092232
  H        38.5703135192       26.8826884255        5.4950695726
  C        34.4533512723        4.2013777781        4.0088717610
  C        35.5597632593        3.3655425639        4.0744018806
  H        33.8186347707        4.1649064378        3.1255663436
  H        35.7880203080        2.7243376810        3.2258923770
  C        15.0647894451       21.1252871837        4.6575435637
  C        16.1922758549       20.3108436119        4.6147629311
  H        14.8931467213       21.7674156358        3.7971501336
  H        16.8340457368       20.3500225502        3.7382618396
  N        26.9592317821       10.1232204945        5.9195439262
  C        27.4815921083        9.3916606218        4.9867993453
  C        28.7334580186        8.6690364835        5.2185203343
  C        29.4962978054        8.8632548645        6.3920252030
  C        29.2269805554        7.7755081833        4.2408733348
  C        38.8535474191        2.8477245930        5.3396520135
  C        36.4255560270        3.4081044391        5.1764136760
  C        37.5304020353        2.4342909869        5.2646519771
  C        34.1461753688        5.0977982029        5.0564495167
  C        37.1527059663        1.0978438103        5.2895147851
  C        39.2686145963        4.2241111815        5.3529427159
  C        35.7781981076        0.6758962205        5.3212667574
  H        27.0499630780        9.3083922635        3.9780113866
  H        29.1530216254        9.5267815279        7.1836398374
  H        28.6602282629        7.6114180785        3.3254911889
  H        38.5717442044        5.0494899506        5.3161719340
  C         5.4939314217       27.7312440311        4.0086972020
  C         4.3876004944       28.5668348752        4.0741013719
  H         6.1286850537       27.7676335737        3.1256258057
  H         4.1593484253       29.2081788262        3.2259275729
  C        24.8824071818       10.8073200860        4.6575247748
  C        23.7549168950       11.6218002503        4.6147899527
  H        25.0540543480       10.1652054420        3.7971334659
  H        23.1131479275       11.5826094809        3.7382669779
  N        12.9879784161       21.8094087129        5.9195611002
  C        12.4656110915       22.5410033312        4.9867243590
  C        11.2137031335       23.2636258006        5.2185235016
  C        10.4508547573       23.0694345207        6.3920393932
  C        10.7201641450       24.1571508403        4.2408555586
  C         1.0937266221       29.0843772972        5.3396572356
  C         3.5219186632       28.5240635174        5.1759120796
  C         2.4172197062       29.4978788119        5.2655364376
  C         5.8009973546       26.8348668004        5.0563146586
  C         2.7953331308       30.8339636415        5.2922913460
  C         0.6787725757       27.7079473048        5.3527149648
  C         4.1688172913       31.2566367084        5.3207463022
  H        12.8972158836       22.6242332781        3.9780503925
  H        10.7941642189       22.4058930579        7.1836084681
  H        11.2869581302       24.3212010947        3.3255205812
  H         1.3754739379       26.8825668204        5.3161249535
  N        19.9734498970       17.9565355372        5.4052049506
  N        19.9737744726       13.9761165186        5.4051986654
  N        -0.0015984910       29.9363837217        5.4046165353
  N        -0.0000402773        1.9959278838        5.4046444556
  N        18.0202971533       15.9663784770        5.4052006521
  N        21.9269357192       15.9662727956        5.4052026490
  N         1.9479844626       -0.0002357196        5.4060234498
  N        38.0021709236       -0.0001413830        5.4043133793
 Co        19.9734449724       15.9663256189        5.4053158294
 Co        -0.0005789060        0.0004958558        5.4041150183
  H        24.9565129854       17.3324906395       10.7319486578
  H        24.9578232686       14.5969387786        0.0794569339
  H        14.9908799792       14.6002485033       10.7321983014
  H        14.9894504341       17.3356079303        0.0797814187
  H        14.9771964706       17.3329166487        5.4858648236
  H        14.9772472694       14.5996049862        5.3251794911
  H        24.9701433972       14.5996912840        5.4858542061
  H        24.9700882408       17.3330901347        5.3251624356
     412
 i =       11, E =     -2345.5897274683
  C        14.4912578851       11.7444552555        9.4202503275
  C        15.6142868105       12.5615713250        9.4660420719
  H        13.8344630739       11.7993945315        8.5604664546
  H        15.8316341629       13.2396334190        8.6429372652
  C        35.0340178130       26.7925679578       10.0763177870
  C        36.1544068210       27.6135825565       10.0302247732
  H        34.8627291961       26.1266021374        9.2375080616
  H        36.8172693119       27.5617739181        9.1693894831
  N         6.9817085053        5.8525184502        0.5248934920
  C         7.5061511257        6.5745832677       10.4128339900
  C         8.7609815335        7.2993623675       10.6407260613
  C         9.5222514029        7.1130998614        0.9899507806
  C         9.2521291681        8.1891210094        9.6576427642
  C        18.8859427259       13.1345794627       10.7515186500
  C        16.4663153196       12.5351889497       10.5796972875
  C        17.5617824618       13.5357153913       10.6839716130
  C        14.1736532692       10.8678571487       10.4785212517
  C        17.1866486755       14.8761870080       10.7395336419
  C        19.2978159116       11.7530311568       10.7679955192
  C        15.8075730523       15.2943102231       10.7808298640
  H         7.0763656655        6.6567168488        9.4000239578
  H         9.1750328432        6.4266795911        1.7608617339
  H         8.6741781491        8.3631466861        8.7521837204
  H        18.6030820727       10.9239771786       10.7230750353
  C        25.4601211806       20.2040737777        9.4202267747
  C        24.3370780391       19.3869644157        9.4660432464
  H        26.1169222780       20.1490853034        8.5604381081
  H        24.1197188858       18.7088497281        8.6429480540
  C         4.9173903026        5.1559178524       10.0764826591
  C         3.7969876246        4.3350657490       10.0304968683
  H         5.0885757919        5.8217383184        9.2376075460
  H         3.1341528876        4.3865424305        9.1698057035
  N        32.9697358510       26.0956208480        0.5249984697
  C        32.4452284111       25.3739931562       10.4128108985
  C        31.1903661731       24.6492089320       10.6407435459
  C        30.4291865334       24.8350565574        0.9899839390
  C        30.6992475357       23.7593919248        9.6576058955
  C        21.0654578540       18.8140692728       10.7515905566
  C        23.4850865125       19.4134542998       10.5797665416
  C        22.3896199602       18.4129418119       10.6842239044
  C        25.7777066339       21.0807226368       10.4785243785
  C        22.7647509327       17.0724649596       10.7398573877
  C        20.6535957495       20.1956731198       10.7680326423
  C        24.1438894920       16.6543087167       10.7808279506
  H        32.8750278887       25.2918268571        9.3999724734
  H        30.7764150259       25.5215124149        1.7609139366
  H        31.2772197994       23.5853386805        8.7521281345
  H        21.3483091126       21.0247830035       10.7231968874
  C        25.4606215229       11.7437577067        1.4044564286
  C        24.3372816099       12.5604734880        1.3589889078
  H        26.1175669423       11.7990788394        2.2641164948
  H        24.1202903815       13.2391606515        2.1817719234
  C         4.9162583596       26.7923903842        0.7479279614
  C         3.7958357990       27.6133408431        0.7940611079
  H         5.0874936052       26.1264603357        1.5867818081
  H         3.1329211298       27.5615599210        1.6548960664
  N        32.9707737263        5.8527273507       10.2993464283
  C        32.4463375123        6.5743252951        0.4115284950
  C        31.1913789863        7.2991180388        0.1835845923
  C        30.4300522257        7.1132967275        9.8343496525
  C        30.7001664321        8.1889292204        1.1667155167
  C        21.0673257967       13.1336141188        0.0739754707
  C        23.4860735882       12.5345687680        0.2450360346
  C        22.3907512613       13.5354366448        0.1412914845
  C        25.7783838137       10.8675801079        0.3458052940
  C        22.7661996573       14.8749396547        0.0827044492
  C        20.6583767972       11.7517181409        0.0573603454
  C        24.1450893397       15.2905106824        0.0421847631
  H        32.8760399169        6.6565468135        1.4243472484
  H        30.7773171875        6.4268786544        9.0634201313
  H        31.2780501263        8.3630057700        2.0722017256
  H        21.3527394680       10.9225176533        0.1003950917
  C        14.4908393285       20.2043955714        1.4044371277
  C        15.6141778293       19.3877031084        1.3589665214
  H        13.8338750452       20.1491053845        2.2641053743
  H        15.8311501485       18.7090388566        2.1817546492
  C        35.0353108489        5.1556763086        0.7479128963
  C        36.1557615792        4.3348191433        0.7938747539
  H        34.8640354672        5.8215017880        1.5867510967
  H        36.8184932305        4.3864156413        1.6546025103
  N         6.9804936156       26.0958695553       10.2994320679
  C         7.5052024617       25.3737680648        0.4114239686
  C         8.7600646113       24.6489902701        0.1835837688
  C         9.5212911998       24.8351821143        9.8344046894
  C         9.2512942258       23.7592597048        1.1666566691
  C        18.8842470814       18.8145500099        0.0741127799
  C        16.4653866010       19.4135795043        0.2450125527
  C        17.5607645668       18.4127732575        0.1411243236
  C        14.1730705781       21.0805226766        0.3458043212
  C        17.1852895150       17.0732942326        0.0821869995
  C        19.2931242023       20.1964775286        0.0571830292
  C        15.8064549471       16.6576154026        0.0423301489
  H         7.0753936301       25.2916399566        1.4242799605
  H         9.1740697276       25.5215929842        9.0634670064
  H         8.6733684591       23.5851880014        2.0721718170
  H        18.5986912825       21.0256761093        0.1002769938
  C         5.5009677621        4.2137058663        1.3937225338
  C         4.3922026730        3.3761707542        1.3340522042
  H         6.1473293385        4.1721772414        2.2659054904
  H         4.1639309118        2.7103534056        2.1682864172
  C        24.8871126027       21.1343695031        0.7491450788
  C        23.7598373770       20.3203570330        0.7908594251
  H        25.0629076598       21.7900244071        1.5935770202
  H        23.1074791381       20.3598593936        1.6590510679
  N        12.9893050107       10.1273821860       10.3037345501
  C        12.4673525384        9.4010346775        0.4126064082
  C        11.2134813373        8.6761721690        0.1843402327
  C        10.4542991263        8.8620260338        9.8340156060
  C        10.7240371629        7.7862372486        1.1667792984
  C         1.0919804469        2.8473820546        0.0630085450
  C         3.5289941409        3.4134858267        0.2293732165
  C         2.4193834063        2.4387554238        0.1396074624
  C         5.8075555951        5.1027821612        0.3455390799
  C         2.7976233327        1.1003192315        0.1132875590
  C         0.6815223127        4.2295711192        0.0500050396
  C         4.1803972894        0.6752532702        0.0856586765
  H        12.9011322754        9.3149463145        1.4208919054
  H        10.8014573570        9.5465680242        9.0625119636
  H        11.3018451751        7.6115935986        2.0714286720
  H         1.3757235887        5.0628350076        0.0938528308
  C        34.4505314288       27.7345443502        1.3936181535
  C        35.5592478714       28.5721835427        1.3339012300
  H        33.8043174560       27.7761059960        2.2658876938
  H        35.7876512432       29.2377899324        2.1680337418
  C        15.0643710636       10.8138173872        0.7491121155
  C        16.1916395006       11.6278325599        0.7908196095
  H        14.8885655534       10.1581773987        1.5935364062
  H        16.8439746739       11.5883226718        1.6590223519
  N        26.9620863579       21.8211801263       10.3036876968
  C        27.4840655698       22.5470649856        0.4126402602
  C        28.7379635480       23.2719172649        0.1843308375
  C        29.4970431389       23.0864886789        9.8340008275
  C        29.2273755804       24.1619092178        1.1668124502
  C        38.8598616063       29.1005934625        0.0629680361
  C        36.4224525129       28.5347962583        0.2292644574
  C        37.5322881940       29.5095105798        0.1409378713
  C        34.1438486684       26.8452729912        0.3454467603
  C        37.1538533352       30.8478346491        0.1157197918
  C        39.2699419548       27.7186662872        0.0496985522
  C        35.7712758479       31.2740293773        0.0850627148
  H        27.0503055190       22.6332073842        1.4209055172
  H        29.1499073470       22.4019293076        9.0624853887
  H        28.6495661412       24.3365958716        2.0714803016
  H        38.5757790127       26.8854819702        0.0938455712
  C        34.4516902549        4.2138434603        9.4305783755
  C        35.5605635834        3.3762839155        9.4902631845
  H        33.8053791908        4.1722499972        8.5583235225
  H        35.7888221815        2.7105151480        8.6559091810
  C        15.0633918437       21.1341497293       10.0750228292
  C        16.1903275724       20.3196335346       10.0331516697
  H        14.8880694418       21.7902028611        9.2307990237
  H        16.8432421466       20.3597012991        9.1653118801
  N        26.9627672271       10.1271484010        0.5205592191
  C        27.4846828850        9.4012981914       10.4116694090
  C        28.7386841203        8.6764427217       10.6399981684
  C        29.4979255517        8.8618193026        0.9903190690
  C        29.2281999928        7.7864307304        9.6575372253
  C        38.8612541464        2.8478561327       10.7614745751
  C        36.4238185012        3.4137054250       10.5949424375
  C        37.5336093831        2.4389455812       10.6845014986
  C        34.1449729074        5.1030469350       10.4788287913
  C        37.1554567113        1.1006316141       10.7105966709
  C        39.2713306073        4.2298021146       10.7744119615
  C        35.7728512096        0.6739535150       10.7382964794
  H        27.0509931329        9.3150507138        9.4034101932
  H        29.1507410478        9.5463336432        1.7618302584
  H        28.6504709173        7.6117019942        8.7528564209
  H        38.5770514565        5.0628713417       10.7306674372
  C         5.4995854858       27.7346877020        9.4307706682
  C         4.3908849813       28.5722285017        9.4904765204
  H         6.1457515866       27.7762569212        8.5585044061
  H         4.1623890522       29.2378026244        8.6564256055
  C        24.8879399702       10.8143836533       10.0749952668
  C        23.7610031887       11.6289334431       10.0331624284
  H        25.0632975628       10.1582989758        9.2307865477
  H        23.1081240843       11.5888075686        9.1653260348
  N        12.9887114275       21.8209538419        0.5205228171
  C        12.4665942791       22.5472883204       10.4117078004
  C        11.2126378429       23.2721448261       10.6399838137
  C        10.4535048781       23.0863718176        0.9902695232
  C        10.7231244547       24.1620720438        9.6575763005
  C         1.0905234952       29.1010755183       10.7611828008
  C         3.5276957130       28.5350218466       10.5951033767
  C         2.4178959243       29.5096490476       10.6835930072
  C         5.8063274874       26.8455608783       10.4788681258
  C         2.7960794977       30.8482006280       10.7090487101
  C         0.6800576749       27.7189295147       10.7745504512
  C         4.1786822717       31.2732002002       10.7396287681
  H        12.9003776234       22.6334534795        9.4034183540
  H        10.8006697108       22.4018548563        1.7617946023
  H        11.3008980276       24.3367742410        8.7528883943
  H         1.3742772208       26.8856909462       10.7302921837
  N        19.9762259890       17.9539869350        0.0000924668
  N        19.9752279964       13.9941425870        0.0008295827
  N        -0.0016177128       29.9592284538       -0.0000560665
  N        -0.0001744800        1.9889110561        0.0000340590
  N        18.0375988292       15.9730461625       -0.0010776877
  N        21.9138888236       15.9750137961       -0.0016219587
  N         1.9447710763        0.0000270593       -0.0010083818
  N        38.0087647413        0.0001017314        0.0010151039
 Co        19.9757247678       15.9739981505        0.0007582289
 Co        -0.0000413188       -0.0000166631       -0.0000916340
  C        14.4909202215       11.7443297595        4.0078140025
  C        15.6139474698       12.5615816781        4.0540508856
  H        13.8338756875       11.7987710082        3.1480926113
  H        15.8313406523       13.2409862416        3.2321407984
  C        35.0343770780       26.7928905840        4.6641633633
  C        36.1550596612       27.6138246776        4.6177823469
  H        34.8634876739       26.1267875475        3.8253402867
  H        36.8176390266       27.5624229093        3.7573001903
  N         6.9812897552        5.8524449935        5.9374301892
  C         7.5058752860        6.5742865891        5.0008929494
  C         8.7606661839        7.2990813689        5.2286243076
  C         9.5219408900        7.1130884404        6.4021597623
  C         9.2518963615        8.1887937685        4.2455172013
  C        18.8836663201       13.1286529671        5.3399968098
  C        16.4663911202       12.5350846470        5.1674226844
  C        17.5601489153       13.5364025746        5.2723969260
  C        14.1733876820       10.8675108144        5.0659329593
  C        17.1784541930       14.8760645987        5.3277744660
  C        19.2962658291       11.7428762492        5.3566077217
  C        15.7950209443       15.2912611303        5.3684118533
  H         7.0760568352        6.6563480731        3.9880210266
  H         9.1747783382        6.4265759654        7.1730630672
  H         8.6738698402        8.3629423017        3.3401338007
  H        18.6010732427       10.9129662392        5.3129653735
  C        25.4605341591       20.2039560305        4.0077821323
  C        24.3374899360       19.3866981163        4.0540347800
  H        26.1175829188       20.1494663003        3.1480543634
  H        24.1200922957       18.7072550393        3.2321367337
  C         4.9170567114        5.1554645607        4.6641157709
  C         3.7965076158        4.3343882478        4.6176077668
  H         5.0879850826        5.8215804042        3.8253721617
  H         3.1338282962        4.3859837815        3.7571055982
  N        32.9700392246       26.0959083409        5.9375658075
  C        32.4455625886       25.3739997771        5.0007876365
  C        31.1907251292       24.6492290305        5.2286194675
  C        30.4294383064       24.8353075958        6.4021753620
  C        30.6995322123       23.7594632479        4.2454695011
  C        21.0678100620       18.8196469403        5.3400210986
  C        23.4850483187       19.4132518081        5.1674320182
  C        22.3913144926       18.4118981514        5.2724221823
  C        25.7780248982       21.0808137881        5.0659306762
  C        22.7730193965       17.0722465545        5.3277984164
  C        20.6552068932       20.2054551219        5.3566077022
  C        24.1565093254       16.6570693415        5.3684034885
  H        32.8753864143       25.2918959545        3.9879158097
  H        30.7766158866       25.5218703548        7.1731059500
  H        31.2775741651       23.5852825354        3.3400793538
  H        21.3503401365       21.0354233235        5.3129673496
  C        25.4609870982       11.7443936144        6.8165118438
  C        24.3379325479       12.5616635437        6.7702582726
  H        26.1179354214       11.7989381500        7.6762888777
  H        24.1206695606       13.2411158278        7.5921809818
  C         4.9159078308       26.7929546909        6.1600718559
  C         3.7952465133       27.6138399460        6.2064748438
  H         5.0867475934       26.1269038804        6.9989262579
  H         3.1325905294       27.5624542626        7.0669447387
  N        32.9711858014        5.8524020174        4.8868147521
  C        32.4465970075        6.5742999627        5.8234977127
  C        31.1916856897        7.2991002410        5.5956807607
  C        30.4303627134        7.1130508886        4.4221295578
  C        30.7003953075        8.1888604135        6.5788398886
  C        21.0681193495       13.1286772126        5.4839890469
  C        23.4854440990       12.5350758279        5.6568916073
  C        22.3916257767       13.5363926426        5.5517318405
  C        25.7785800853       10.8675227284        5.7583781742
  C        22.7731490249       14.8760811033        5.4961390610
  C        20.6554951795       11.7428905206        5.4677816680
  C        24.1565674376       15.2914169465        5.4558220261
  H        32.8763512549        6.6564282226        6.8363624149
  H        30.7775699342        6.4265339301        3.6512103884
  H        31.2783629959        8.3630706166        7.4842481841
  H        21.3507059947       10.9130181374        5.5114757156
  C        14.4904242312       20.2039946787        6.8164906445
  C        15.6134729548       19.3867341176        6.7702302715
  H        13.8334481253       20.1494914018        7.6762788374
  H        15.8307043192       18.7073206474        7.5921703660
  C        35.0356573281        5.1554510941        6.1603005045
  C        36.1563070046        4.3343735865        6.2067856306
  H        34.8646439074        5.8215971290        6.9990175870
  H        36.8188612557        4.3860896018        7.0673291823
  N         6.9801975593       26.0959038439        4.8868971544
  C         7.5048684396       25.3740250682        5.8234381313
  C         8.7597052447       24.6492456679        5.5957038614
  C         9.5210397637       24.8351770683        4.4222044929
  C         9.2510120571       23.7595653883        6.5787889297
  C        18.8833549311       18.8196926748        5.4839996117
  C        16.4659918645       19.4132560570        5.6568848292
  C        17.5598282706       18.4119806572        5.5517283565
  C        14.1728259559       21.0808183418        5.7583784662
  C        17.1783235027       17.0722770072        5.4961238043
  C        19.2959708712       20.2054350881        5.4677749734
  C        15.7949633713       16.6569141011        5.4558302033
  H         7.0750480724       25.2919485213        6.8363445983
  H         9.1738740454       25.5216917502        3.6512713676
  H         8.6730112439       23.5853557963        7.4842188591
  H        18.6007011699       21.0352599089        5.5114675146
  C         5.5008593385        4.2133549618        6.8059396220
  C         4.3921628303        3.3754790637        6.7468076348
  H         6.1465167891        4.1716997515        7.6780561356
  H         4.1634753781        2.7098953499        7.5804051207
  C        24.8881354747       21.1341346105        6.1615637791
  C        23.7610688316       20.3197151736        6.2034291211
  H        25.0624496715       21.7914007324        7.0052008470
  H        23.1062325819       20.3596578516        7.0699905646
  N        12.9893922279       10.1268301252        4.8915565631
  C        12.4674667568        9.4009951948        5.8247638442
  C        11.2133337873        8.6762487539        5.5965278901
  C        10.4540794085        8.8617408620        4.4219835094
  C        10.7238104692        7.7862209417        6.5788646431
  C         1.0924142676        2.8469572139        5.4747312695
  C         3.5285268640        3.4127287970        5.6409308954
  C         2.4186321472        2.4410960034        5.5530497177
  C         5.8071814850        5.1025603269        5.7574969014
  C         2.7932761854        1.0991975067        5.5283216715
  C         0.6813207665        4.2294073496        5.4619161506
  C         4.1848968852        0.6881372974        5.4993557643
  H        12.9012086932        9.3146135864        6.8330207813
  H        10.8012855989        9.5464168016        3.6506483237
  H        11.3017656213        7.6114072917        7.4833772827
  H         1.3763249609        5.0626392341        5.5064455828
  C        34.4503731436       27.7349280677        6.8061286842
  C        35.5592302715       28.5728710510        6.7469773270
  H        33.8045801629       27.7767199543        7.6782828034
  H        35.7877895594       29.2387749657        7.5808942272
  C        15.0632606023       10.8142610008        6.1615455085
  C        16.1903205437       11.6286742529        6.2034139207
  H        14.8889423227       10.1570210163        7.0051808208
  H        16.8451420108       11.5887514172        7.0699741372
  N        26.9620469234       21.8214830887        4.8915079697
  C        27.4838772452       22.5473455399        5.8248018121
  C        28.7380448856       23.2720815463        5.5965161953
  C        29.4973040460       23.0865152385        4.4219666836
  C        29.2275315674       24.1621624346        6.5788996583
  C        38.8594290686       29.1008066757        5.4746421627
  C        36.4231562031       28.5353570000        5.6409679347
  C        37.5330931528       29.5067856812        5.5520914693
  C        34.1441508521       26.8456969259        5.7574891072
  C        37.1590333918       30.8488408143        5.5264889822
  C        39.2702305390       27.7184312383        5.4621687248
  C        35.7662683858       31.2601915666        5.5006274462
  H        27.0501644129       22.6337839106        6.8330391339
  H        29.1501167737       22.4018193104        3.6506194962
  H        28.6495805175       24.3370263851        7.4834299241
  H        38.5749379411       26.8853346994        5.5062169971
  C        34.4517919532        4.2132967461        4.0183240052
  C        35.5606010497        3.3753281746        4.0774425522
  H        33.8061784855        4.1715192766        3.1461488261
  H        35.7892696548        2.7097456376        3.2437884073
  C        15.0627516485       21.1340420727        4.6627883598
  C        16.1898731165       20.3196985440        4.6209187078
  H        14.8884356808       21.7912335891        3.8191151065
  H        16.8446648971       20.3597079196        3.7543227095
  N        26.9626622827       10.1268633873        5.9327876056
  C        27.4845891431        9.4010072691        4.9995289675
  C        28.7388343875        8.6762660245        5.2278091360
  C        29.4981440116        8.8617919742        6.4023541333
  C        29.2284229928        7.7861680158        4.2454339245
  C        38.8607414602        2.8470966176        5.3487887011
  C        36.4243850753        3.4125909898        5.1833936592
  C        37.5345442504        2.4410577534        5.2707292225
  C        34.1453383801        5.1025859110        5.0668780769
  C        37.1602171018        1.0990656460        5.2953003309
  C        39.2717055104        4.2294251653        5.3626306252
  C        35.7680547424        0.6878856539        5.3246852471
  H        27.0509456336        9.3145238043        3.9912817339
  H        29.1509214885        9.5464322291        7.1737119036
  H        28.6505591040        7.6112963108        3.3408883599
  H        38.5764078366        5.0623733032        5.3183610508
  C         5.4997847434       27.7348208649        4.0182701085
  C         4.3909658673       28.5725815736        4.0774044362
  H         6.1455089610       27.7766033250        3.1461136042
  H         4.1623056996       29.2384925356        3.2435692190
  C        24.8886627448       10.8142142602        4.6627530274
  C        23.7615434618       11.6285780560        4.6209173260
  H        25.0630068253       10.1570067331        3.8190918288
  H        23.1067719467       11.5885479291        3.7543325259
  N        12.9887686827       21.8214827839        5.9327466524
  C        12.4667579193       22.5473306805        4.9995648959
  C        11.2125528420       23.2720720913        5.2277960557
  C        10.4532358860       23.0866326249        6.4023096621
  C        10.7229660565       24.1620848429        4.2454761025
  C         1.0908724041       29.1009282566        5.3487780344
  C         3.5271448190       28.5351747031        5.1833048321
  C         2.4173138356       29.5066623719        5.2719509051
  C         5.8060242612       26.8457293626        5.0668285435
  C         2.7914171127       30.8487140791        5.2976625202
  C         0.6800148550       27.7184541610        5.3623107836
  C         4.1834821356       31.2603719692        5.3243300662
  H        12.9004914320       22.6337307793        3.9912839871
  H        10.8004508082       22.4019885146        7.1736789220
  H        11.3008709627       24.3369321910        3.3409200604
  H         1.3751299881       26.8851823100        5.3182735454
  N        19.9755571689       17.9667207081        5.4118613105
  N        19.9758761625       13.9816116453        5.4118627879
  N        -0.0015705450       29.9596416675        5.4112966306
  N        -0.0000782620        1.9886806424        5.4112776663
  N        18.0261583552       15.9742201459        5.4118512878
  N        21.9252533825       15.9741131324        5.4118498012
  N         1.9422707891        0.0000101982        5.4124186810
  N        38.0113866360        0.0000958587        5.4111292850
 Co        19.9756568232       15.9741664390        5.4120236218
 Co        -0.0000410458        0.0003633063        5.4110535056
  H        24.9773941683       17.3426315773       10.7459290297
  H        24.9782266445       14.6027734788        0.0787284978
  H        14.9741361177       14.6059783505       10.7461345372
  H        14.9733291838       17.3452716492        0.0790714019
  H        14.9605035340       17.3422714222        5.4919122058
  H        14.9605506892       14.6059033183        5.3323671681
  H        24.9910564725       14.6060263054        5.4919004005
  H        24.9910117800       17.3424719577        5.3323493655
     412
 i =       12, E =     -2345.5911974139
  C        14.4844617468       11.7386972766        9.4518662050
  C        15.6054461202       12.5543650879        9.4960485807
  H        13.8150429280       11.7930959041        8.5994447226
  H        15.8235156909       13.2454450243        8.6819143639
  C        35.0172841940       26.7898099935       10.1066802267
  C        36.1387199112       27.6109929786       10.0590225256
  H        34.8450945623       26.1121156820        9.2788970521
  H        36.8097188154       27.5595873279        9.2067088411
  N         6.9804662364        5.8544473928        0.5324282631
  C         7.5055867224        6.5723172175       10.4477093620
  C         8.7573703865        7.2973101601       10.6731698413
  C         9.5200485974        7.1138801162        0.9925185206
  C         9.2468368469        8.1853660557        9.6897000443
  C        18.8795570065       13.1322738538       10.7839858020
  C        16.4587141096       12.5350021748       10.6099283093
  C        17.5522120048       13.5292214536       10.7153340185
  C        14.1658925607       10.8645036175       10.5086492188
  C        17.1746856033       14.8761484207       10.7717630463
  C        19.2906021475       11.7509638358       10.8006734225
  C        15.7991561765       15.2893194605       10.8090929401
  H         7.0728737658        6.6535787577        9.4354200853
  H         9.1681045337        6.4142404700        1.7482742471
  H         8.6598019886        8.3658528696        8.7894296664
  H        18.5998207810       10.9195796178       10.7493584788
  C        25.4514474177       20.2075201255        9.4518654416
  C        24.3304412009       19.3918477748        9.4960648078
  H        26.1208548618       20.1530860712        8.5994215120
  H        24.1123504487       18.7007417161        8.6819438055
  C         4.9186792159        5.1563980507       10.1068431733
  C         3.7972951094        4.3353960039       10.0592531590
  H         5.0907648795        5.8339196105        9.2789828453
  H         3.1261824696        4.3864223744        9.2070811921
  N        32.9552499430       26.0915121010        0.5324018317
  C        32.4303786695       25.3739643720       10.4477848340
  C        31.1785421218       24.6488927076       10.6731589170
  C        30.4157324252       24.8321900800        0.9925694502
  C        30.6890790209       23.7608207920        9.6896807637
  C        21.0563627190       18.8140211656       10.7839205317
  C        23.4772490436       19.4112845418       10.6100343413
  C        22.3837321713       18.4170502603       10.7156252272
  C        25.7700270475       21.0817114708       10.5086289470
  C        22.7612711599       17.0701243000       10.7718128824
  C        20.6453664475       20.1953610974       10.8006787142
  C        24.1368622403       16.6569926967       10.8091274329
  H        32.8630486863       25.2926455364        9.4353820124
  H        30.7676891543       25.5318121172        1.7483080314
  H        31.2761038617       23.5803294122        8.7893889985
  H        21.3361255676       21.0268044669       10.7494896503
  C        25.4518836899       11.7380490266        1.4041210994
  C        24.3306102239       12.5533490234        1.3602944568
  H        26.1214765207       11.7927790782        2.2564306252
  H        24.1128444418       13.2449066861        2.1740711679
  C         4.9174615599       26.7897471154        0.7488412136
  C         3.7960188265       27.6108605813        0.7965460505
  H         5.0896352433       26.1120644895        1.5766258779
  H         3.1250019583       27.5594589658        1.6487942294
  N        32.9563591625        5.8545970703       10.3231658409
  C        32.4312701535        6.5721570984        0.4077548905
  C        31.1793950809        7.2972148832        0.1824068747
  C        30.4166452334        7.1139591094        9.8630098231
  C        30.6898508997        8.1852703671        1.1658479026
  C        21.0583040386       13.1314220527        0.0731508422
  C        23.4780900666       12.5344903463        0.2460815570
  C        22.3847120145       13.5292379957        0.1410218414
  C        25.7706055990       10.8643645928        0.3469724885
  C        22.7622058824       14.8746445534        0.0815039708
  C        20.6496438539       11.7502487708        0.0559481391
  C        24.1373976892       15.2861226118        0.0449996931
  H        32.8639341009        6.6535102175        1.4201995610
  H        30.7686075536        6.4143566355        9.1072407353
  H        31.2768301862        8.3658028824        2.0661961851
  H        21.3405962607       10.9185948758        0.1052798787
  C        14.4839186594       20.2079818874        1.4041329763
  C        15.6052104056       19.3927216141        1.3602570318
  H        13.8143435062       20.1532672905        2.2564105885
  H        15.8229711113       18.7011454499        2.1740684603
  C        35.0183585955        5.1562727123        0.7487424919
  C        36.1398178716        4.3352577473        0.7963030954
  H        34.8462542498        5.8337739054        1.5766219344
  H        36.8108571284        4.3863902221        1.6485791178
  N         6.9794417064       26.0917114031       10.3231262121
  C         7.5045298004       25.3738358269        0.4078108742
  C         8.7563964255       24.6488224874        0.1823505428
  C         9.5192441835       24.8321910230        9.8630519368
  C         9.2459352276       23.7607848547        1.1658504354
  C        18.8774985650       18.8146957385        0.0730282390
  C        16.4577040462       19.4115816712        0.2460576703
  C        17.5511692969       18.4169301337        0.1408121228
  C        14.1651649605       21.0816790291        0.3469337369
  C        17.1736594004       17.0714125156        0.0813817719
  C        19.2861961405       20.1958745100        0.0559034097
  C        15.7984306535       16.6599106220        0.0450252756
  H         7.0718841970       25.2925568277        1.4200888390
  H         9.1672981004       25.5318009752        9.1072805859
  H         8.6589702020       23.5802681956        2.0661371165
  H        18.5951756628       21.0275094080        0.1051293490
  C         5.5012292339        4.2156120468        1.3935149699
  C         4.3937168977        3.3788592526        1.3374174557
  H         6.1586871421        4.1761510313        2.2556426109
  H         4.1674150569        2.7009731698        2.1576250835
  C        24.8804676032       21.1344200724        0.7480137790
  C        23.7539352874       20.3189775406        0.7907820861
  H        25.0578383675       21.8014074271        1.5849104449
  H        23.0911580411       20.3589942518        1.6527908320
  N        12.9859353943       10.1270243932       10.3274570486
  C        12.4594009861        9.4016523634        0.4098401114
  C        11.2095760843        8.6779524327        0.1831105077
  C        10.4481616727        8.8592752735        9.8634386692
  C        10.7212899090        7.7888626713        1.1656333047
  C         1.0942644153        2.8467812068        0.0621749280
  C         3.5306305313        3.4137331215        0.2307314217
  C         2.4206207861        2.4378245696        0.1401026219
  C         5.8095382677        5.1037171338        0.3469583644
  C         2.8002557782        1.0989683773        0.1134338724
  C         0.6812773158        4.2300978794        0.0482534422
  C         4.1752433111        0.6718492475        0.0869994855
  H        12.8972537424        9.3162236330        1.4166505236
  H        10.8006642048        9.5577644109        9.1063023456
  H        11.3083932139        7.6076455953        2.0653090977
  H         1.3726038306        5.0677656949        0.0974928813
  C        34.4345757934       27.7305128794        1.3933714594
  C        35.5419562050       28.5672310661        1.3372021619
  H        33.7773422526       27.7699940761        2.2556219012
  H        35.7685552573       29.2450664767        2.1573801449
  C        15.0553585345       10.8116852974        0.7479829980
  C        16.1818802710       11.6271204609        0.7907475138
  H        14.8779946029       10.1446809051        1.5848774184
  H        16.8446590515       11.5870752475        1.6527631112
  N        26.9500143637       21.8192123751       10.3274629853
  C        27.4763564903       22.5443440767        0.4098023415
  C        28.7261837258       23.2680736732        0.1831352487
  C        29.4877313213       23.0869016860        9.8634142163
  C        29.2144607204       24.1571743240        1.1656564450
  C        38.8415574039       29.0993783728        0.0622538452
  C        36.4051849510       28.5323994709        0.2307474178
  C        37.5154061377       29.5083352420        0.1415213057
  C        34.1263054466       26.8423543031        0.3468990264
  C        37.1356658295       30.8472251628        0.1153944272
  C        39.2546906439       27.7159602747        0.0479099255
  C        35.7607699968       31.2737940626        0.0867911758
  H        27.0385203415       22.6298161255        1.4166739809
  H        29.1352247601       22.3884210234        9.1062815125
  H        28.6273842348       24.3384093588        2.0653498596
  H        38.5631977083       26.8784732666        0.0974619007
  C        34.4358106151        4.2156492096        9.4620661509
  C        35.5433814247        3.3788826590        9.5181093711
  H        33.7784075996        4.1761298147        8.5998256278
  H        35.7696802130        2.7010792088        8.6978286872
  C        15.0544434517       21.1340763117       10.1073160487
  C        16.1806717092       20.3182382987       10.0644515766
  H        14.8775695862       21.8014897557        9.2706377716
  H        16.8439197475       20.3586151008        9.2028228750
  N        26.9506150635       10.1268665544        0.5280678982
  C        27.4771017548        9.4017498896       10.4457089334
  C        28.7269912183        8.6780594375       10.6724166968
  C        29.4884692493        8.8591816228        0.9921241033
  C        29.2153336979        7.7889605333        9.6899379960
  C        38.8429842296        2.8468653095       10.7934888882
  C        36.4065547381        3.4138188743       10.6247888344
  C        37.5167586510        2.4379198083       10.7152643648
  C        34.1274559154        5.1037517623       10.5085836245
  C        37.1371993701        1.0989453829       10.7417109038
  C        39.2561240858        4.2302658488       10.8074601834
  C        35.7624614308        0.6719977303       10.7680468538
  H        27.0392435246        9.3162132820        9.4388374978
  H        29.1359460200        9.5576319246        1.7492865570
  H        28.6283011540        7.6076638305        8.7901967988
  H        38.5645262311        5.0677113712       10.7582430476
  C         5.5000684289       27.7305524851        9.4622013762
  C         4.3926571095       28.5671874366        9.5184305643
  H         6.1572499833       27.7700568687        8.5999852773
  H         4.1660043537       29.2450140652        8.6982715709
  C        24.8814322871       10.8121233750       10.1073015984
  C        23.7552066135       11.6280046524       10.0644978636
  H        25.0583154756       10.1446999443        9.2706329239
  H        23.0919501046       11.5875801490        9.2028191642
  N        12.9851939406       21.8191249410        0.5280843897
  C        12.4587533465       22.5444961254       10.4456677321
  C        11.2088905094       23.2681483751       10.6724380960
  C        10.4473060254       23.0868967962        0.9920845597
  C        10.7205273249       24.1572341712        9.6899329868
  C         1.0929953700       29.0994679815       10.7931720773
  C         3.5294856717       28.5324898580       10.6248796856
  C         2.4193193348       29.5083938231       10.7142135284
  C         5.8084609689       26.8424137151       10.5087072130
  C         2.7988276963       30.8472620016       10.7405709003
  C         0.6799812016       27.7161679486       10.8075054571
  C         4.1738312269       31.2744451384       10.7692712916
  H        12.8966317464       22.6299680559        9.4388802780
  H        10.7998141006       22.3884412450        1.7492498470
  H        11.3075668486       24.3385027916        8.7902448283
  H         1.3713106350       26.8785651561       10.7579247092
  N        19.9678936757       17.9545261960        0.0002673532
  N        19.9678977234       13.9914774356        0.0007767961
  N        -0.0014628817       29.9550243796       -0.0000556836
  N        -0.0000938641        1.9910711701        0.0000193321
  N        18.0276724534       15.9717677527       -0.0016101518
  N        21.9081077873       15.9741794091       -0.0011619020
  N         1.9506938007       -0.0000342248       -0.0008139640
  N        37.9868054504        0.0000338670        0.0008131468
 Co        19.9679443934       15.9730912975        0.0005992356
 Co         0.0000262232        0.0000063463       -0.0002136776
  C        14.4839795040       11.7387566797        4.0237828571
  C        15.6052607443       12.5540032253        4.0684477797
  H        13.8142907037       11.7925679536        3.1713447009
  H        15.8230617158       13.2468615655        3.2556568009
  C        35.0174678994       26.7899453646        4.6786636055
  C        36.1390629892       27.6109334144        4.6308666653
  H        34.8457296012       26.1122662366        3.8509818640
  H        36.8105039371       27.5602714737        3.7784500192
  N         6.9800963755        5.8542757057        5.9607442639
  C         7.5053255763        6.5721870619        5.0200784140
  C         8.7569714351        7.2971073595        5.2454631919
  C         9.5198505500        7.1138023740        6.4203753544
  C         9.2465395796        8.1851530880        4.2619429227
  C        18.8773201933       13.1238277796        5.3565934145
  C        16.4582483740       12.5347040988        5.1818724766
  C        17.5496480787       13.5318693788        5.2882147405
  C        14.1654391322       10.8642917701        5.0805560488
  C        17.1682781437       14.8757368570        5.3443990708
  C        19.2863653073       11.7431030767        5.3734042892
  C        15.7866104386       15.2927106489        5.3817180750
  H         7.0724240404        6.6532481036        4.0077242743
  H         9.1678826582        6.4140193911        7.1761241356
  H         8.6593902793        8.3657128902        3.3617318092
  H        18.5984004651       10.9089751252        5.3239817019
  C        25.4518717188       20.2073569822        4.0237782429
  C        24.3305863489       19.3920931023        4.0684300949
  H        26.1215579092       20.1535188916        3.1713113940
  H        24.1127647401       18.6992333542        3.2556681476
  C         4.9182389948        5.1560585510        4.6786296497
  C         3.7968592090        4.3350711473        4.6307253702
  H         5.0901598535        5.8339628456        3.8509815370
  H         3.1254124673        4.3859430384        3.7782842478
  N        32.9555595092       26.0916716944        5.9606551273
  C        32.4305765872       25.3739902143        5.0201654145
  C        31.1788731281       24.6489835232        5.2454148622
  C        30.4159829091       24.8323589292        6.4204188320
  C        30.6892778859       23.7609134827        4.2619202105
  C        21.0585608767       18.8222559156        5.3566083889
  C        23.4776309574       19.4114270841        5.1818956203
  C        22.3862551089       18.4142104668        5.2882459165
  C        25.7704090328       21.0818133168        5.0805265406
  C        22.7676164616       17.0703596294        5.3444165536
  C        20.6495502821       20.2030007853        5.3734064282
  C        24.1493479299       16.6534213489        5.3817145013
  H        32.8634392875       25.2928214813        4.0076211666
  H        30.7679825864       25.5321378531        7.1761386226
  H        31.2764404812       23.5803513020        3.3616861208
  H        21.3374557850       21.0371879967        5.3239831542
  C        25.4523427900       11.7387696670        6.8317341574
  C        24.3310443797       12.5540509910        6.7870747431
  H        26.1219603109       11.7926694225        7.6842843801
  H        24.1133892965       13.2469318290        7.5998857014
  C         4.9173095755       26.7899729712        6.1768417388
  C         3.7957328350       27.6109059703        6.2246782200
  H         5.0890151212       26.1123266313        7.0045167649
  H         3.1242742603       27.5602521121        7.0769871439
  N        32.9567015445        5.8543478781        4.8948817962
  C        32.4315275186        6.5721307158        5.8353814469
  C        31.1797880999        7.2971269728        5.6101157950
  C        30.4168425746        7.1137899541        4.4351391572
  C        30.6901435390        8.1851734399        6.5936052632
  C        21.0588574597       13.1238412803        5.4986004523
  C        23.4779996119       12.5346935533        5.6736384217
  C        22.3865494732       13.5318640063        5.5671078687
  C        25.7709418831       10.8643062323        5.7750125905
  C        22.7677461548       14.8757558737        5.5107245743
  C        20.6498079363       11.7431369454        5.4821875871
  C        24.1493973944       15.2928626540        5.4737202792
  H        32.8643835686        6.6532876683        6.8479126844
  H        30.7688270579        6.4140432082        3.6793815194
  H        31.2772438012        8.3657852590        7.4938890585
  H        21.3377778034       10.9090165416        5.5317109949
  C        14.4835411554       20.2073412483        6.8317416891
  C        15.6048433544       19.3920811265        6.7870448210
  H        13.8139335213       20.1534748025        7.6842574967
  H        15.8224782037       18.6992218622        7.5998776649
  C        35.0188287535        5.1560066172        6.1769797581
  C        36.1403129563        4.3350046515        6.2248402496
  H        34.8468820689        5.8339172753        7.0046546164
  H        36.8116935328        4.3859987435        7.0774235674
  N         6.9791247918       26.0917829619        4.8948788515
  C         7.5043424540       25.3739435529        5.8354528712
  C         8.7560671208       24.6490064194        5.6100876832
  C         9.5189875775       24.8322536416        4.4352002652
  C         9.2457270926       23.7609685522        6.5936095150
  C        18.8770220494       18.8222950318        5.4986082274
  C        16.4578731245       19.4114110473        5.6736625666
  C        17.5493418352       18.4142858159        5.5671098447
  C        14.1649057519       21.0818241260        5.7749783888
  C        17.1681566081       17.0703878520        5.5107173649
  C        19.2861170717       20.2029867445        5.4821856759
  C        15.7865586299       16.6532332504        5.4737251032
  H         7.0715125593       25.2928239454        6.8478514539
  H         9.1670093640       25.5320135931        3.6794429003
  H         8.6586332746       23.5803685472        7.4938359920
  H        18.5980773954       21.0370454198        5.5317001969
  C         5.5012744186        4.2153146475        6.8213588739
  C         4.3940399955        3.3784327074        6.7655455740
  H         6.1583035203        4.1756111681        7.6838087305
  H         4.1666817346        2.6998109290        7.5860505429
  C        24.8814408054       21.1342208069        6.1762492975
  C        23.7547908465       20.3185486103        6.2185263370
  H        25.0576983395       21.8029298803        7.0123756318
  H        23.0902051780       20.3587890692        7.0794212642
  N        12.9858208581       10.1264862287        4.8994074611
  C        12.4594697535        9.4013614135        5.8376837709
  C        11.2095259405        8.6779358961        5.6109368364
  C        10.4478644205        8.8590957745        4.4357608563
  C        10.7211329356        7.7887568008        6.5933556765
  C         1.0930081010        2.8475749855        5.4893767967
  C         3.5310221785        3.4136595676        5.6580994271
  C         2.4187168786        2.4399079803        5.5690042748
  C         5.8094450709        5.1035184380        5.7745441951
  C         2.8000785396        1.0999347233        5.5439712726
  C         0.6814326651        4.2307273513        5.4759218016
  C         4.1809434591        0.6708625254        5.5146133466
  H        12.8974343508        9.3157996381        6.8444200116
  H        10.8004073766        9.5577097618        3.6787834781
  H        11.3083794757        7.6073454229        7.4929035243
  H         1.3735922902        5.0679056341        5.5257415465
  C        34.4346199750       27.7307853480        6.8215406949
  C        35.5419536936       28.5677178097        6.7659067591
  H        33.7773087715       27.7705158085        7.6839982376
  H        35.7689959732       29.2464809221        7.5863035244
  C        15.0544183951       10.8119396819        6.1762349830
  C        16.1810549092       11.6275798182        6.2185348070
  H        14.8781710322       10.1432245437        7.0123674598
  H        16.8456494936       11.5873551302        7.0794092975
  N        26.9500448548       21.8196477555        4.8994156899
  C        27.4763525936       22.5447349881        5.8376407064
  C        28.7262724295       23.2681750980        5.6109667243
  C        29.4879542669       23.0869737811        4.4357285944
  C        29.2146891187       24.1573744187        6.5933697917
  C        38.8433272918       29.0979403373        5.4892730983
  C        36.4049308353       28.5320233914        5.6583389212
  C        37.5172957784       29.5063010251        5.5688817365
  C        34.1264124415       26.8425875708        5.7745457711
  C        37.1371678006       30.8461469802        5.5423565481
  C        39.2545522270       27.7150159131        5.4757565349
  C        35.7540736292       31.2753098838        5.5159149056
  H        27.0383956159       22.6303359518        6.8444513282
  H        29.1353918656       22.3883601810        3.6787642292
  H        28.6274554059       24.3388073219        7.4929455820
  H        38.5621457792       26.8778347427        5.5254744816
  C        34.4357700571        4.2152888928        4.0341852325
  C        35.5430552882        3.3783507821        4.0899423411
  H        33.7787659959        4.1754912406        3.1716211734
  H        35.7704155190        2.6997221751        3.2693653263
  C        15.0539143008       21.1341556140        4.6793328961
  C        16.1806212707       20.3185695660        4.6370403072
  H        14.8776631481       21.8028189257        3.8431430668
  H        16.8451582178       20.3588960721        3.7761242679
  N        26.9506514653       10.1264816387        5.9561188317
  C        27.4770179936        9.4013962549        5.0179137529
  C        28.7270406586        8.6779376015        5.2445963880
  C        29.4887685256        8.8591072096        6.4198076389
  C        29.2154953787        7.7887563938        4.2622032921
  C        38.8444650016        2.8476785185        5.3652603305
  C        36.4061925036        3.4135830672        5.1974326351
  C        37.5188230270        2.4399455671        5.2859756413
  C        34.1275442555        5.1034653249        5.0810103186
  C        37.1375325404        1.0998511098        5.3108096119
  C        39.2560295894        4.2307840150        5.3798363719
  C        35.7564366299        0.6705751503        5.3407013202
  H        27.0390994390        9.3157503562        4.0110821076
  H        29.1362092673        9.5576809320        7.1768202678
  H        28.6283198179        7.6072902930        3.3625774684
  H        38.5635403393        5.0676887292        5.3303533857
  C         5.5000916985       27.7307016030        4.0340381909
  C         4.3927428867       28.5674898413        4.0896993320
  H         6.1573106620       27.7704544992        3.1716193892
  H         4.1656407692       29.2462369941        3.2693833466
  C        24.8819217520       10.8119085487        4.6793059999
  C        23.7552217798       11.6275191153        4.6370602727
  H        25.0581802582       10.1432488364        3.8431239856
  H        23.0906708021       11.5871884373        3.7761276117
  N        12.9852465448       21.8196017405        5.9561335822
  C        12.4587676993       22.5447553892        5.0178736105
  C        11.2087976368       23.2681579791        5.2446160630
  C        10.4470810603       23.0870614580        6.4197713495
  C        10.7202966343       24.1573347936        4.2622094903
  C         1.0914256763       29.0980332935        5.3652779534
  C         3.5298352547       28.5318979877        5.1971668216
  C         2.4176214514       29.5062615238        5.2863273603
  C         5.8083644560       26.8425355923        5.0810608455
  C         2.7975778814       30.8460755022        5.3130004776
  C         0.6802598786       27.7150805215        5.3798691667
  C         4.1802627002       31.2754752669        5.3402676892
  H        12.8967200331       22.6303274249        4.0111166329
  H        10.7996382054       22.3884775649        7.1767824297
  H        11.3074841839       24.3387753807        3.3626279162
  H         1.3724280488       26.8776976453        5.3303217095
  N        19.9677800716       17.9671831370        5.4275259878
  N        19.9680820787       13.9789289197        5.4275126929
  N        -0.0013791836       29.9563677714        5.4269593435
  N         0.0000357344        1.9895228832        5.4269355691
  N        18.0188435149       15.9731039539        5.4274908806
  N        21.9170259808       15.9730063955        5.4275118798
  N         1.9438253927       -0.0007996002        5.4293633774
  N        37.9939805781       -0.0007159246        5.4254030899
 Co        19.9679358512       15.9730576550        5.4276259531
 Co         0.0003444137        0.0004491446        5.4269466513
  H        24.9805480365       17.3404948381       10.7773671876
  H        24.9812845284       14.6024983200        0.0784721186
  H        14.9555140421       14.6057242249       10.7776135130
  H        14.9545648650       17.3434881011        0.0788925146
  H        14.9416410231       17.3401409843        5.5074268469
  H        14.9416893542       14.6057947341        5.3481076812
  H        24.9943427844       14.6059550386        5.5074115701
  H        24.9942873973       17.3403423618        5.3480887949
     412
 i =       13, E =     -2345.6087239475
  C        14.4844480993       11.7387066227        9.4518733971
  C        15.6054440468       12.5543775096        9.4960683221
  H        13.8150216825       11.7930822673        8.5994613849
  H        15.8234972590       13.2454373425        8.6819379070
  C        35.0172589687       26.7897841042       10.1066958039
  C        36.1387002184       27.6109765572       10.0590368723
  H        34.8450619888       26.1120808346        9.2789010404
  H        36.8097030643       27.5595771032        9.2067121754
  N         6.9804637010        5.8544477428        0.5324312261
  C         7.5055866562        6.5723234426       10.4477187989
  C         8.7573629491        7.2973140946       10.6731895548
  C         9.5200484760        7.1138660427        0.9925074722
  C         9.2468195609        8.1853747563        9.6897203254
  C        18.8795273323       13.1322760053       10.7839986556
  C        16.4587105108       12.5350027476       10.6099397701
  C        17.5521912303       13.5292423193       10.7153470585
  C        14.1658838233       10.8645067590       10.5086504577
  C        17.1746614249       14.8761369880       10.7717788385
  C        19.2905929867       11.7509868676       10.8006866759
  C        15.7991528357       15.2893434150       10.8091058963
  H         7.0728760661        6.6535871264        9.4354423327
  H         9.1680911007        6.4142349327        1.7482574788
  H         8.6597973515        8.3658489252        8.7894509181
  H        18.5998261203       10.9195855743       10.7493647794
  C        25.4514373071       20.2075076581        9.4518725614
  C        24.3304191696       19.3918321685        9.4960847276
  H        26.1208539076       20.1530942891        8.5994364426
  H        24.1123450038       18.7007433970        8.6819662778
  C         4.9186802821        5.1564223581       10.1068585019
  C         3.7972926794        4.3354113501       10.0592674570
  H         5.0907731368        5.8339472060        9.2789917610
  H         3.1261782465        4.3864289363        9.2070892670
  N        32.9552273244       26.0914867966        0.5324111598
  C        32.4303532295       25.3739554901       10.4477924653
  C        31.1785263668       24.6488888779       10.6731785381
  C        30.4157082441       24.8321781789        0.9925580266
  C        30.6890728347       23.7608098641        9.6897008079
  C        21.0563684616       18.8140193251       10.7839329239
  C        23.4772285889       19.4112834781       10.6100458364
  C        22.3837296880       18.4170298478       10.7156380727
  C        25.7700125830       21.0817083445       10.5086304602
  C        22.7612717122       17.0701358490       10.7718278630
  C        20.6453517907       20.1953385699       10.8006918555
  C        24.1368416219       16.6569695744       10.8091403511
  H        32.8630252010       25.2926338342        9.4353991072
  H        30.7676799242       25.5317980062        1.7482952656
  H        31.2760874568       23.5803277624        8.7894064687
  H        21.3360972406       21.0267992192       10.7494958978
  C        25.4518731997       11.7380477329        1.4041263872
  C        24.3305877809       12.5533508125        1.3602867720
  H        26.1214750722       11.7927569216        2.2564278305
  H        24.1128385622       13.2448909711        2.1740611003
  C         4.9174620431       26.7897093297        0.7488381298
  C         3.7960159814       27.6108314903        0.7965437850
  H         5.0896431081       26.1120233387        1.5766291877
  H         3.1249975481       27.5594389018        1.6487982545
  N        32.9563369664        5.8546087023       10.3231688552
  C        32.4312438986        6.5721522489        0.4077594292
  C        31.1793784766        7.2972049926        0.1823994114
  C        30.4166214566        7.1139573281        9.8630335230
  C        30.6898440237        8.1852676307        1.1658401668
  C        21.0583090532       13.1314099095        0.0731510296
  C        23.4780696605       12.5344775728        0.2460823244
  C        22.3847093738       13.5292433252        0.1410207607
  C        25.7705903538       10.8643540837        0.3469831991
  C        22.7622055918       14.8746204469        0.0815006726
  C        20.6496284234       11.7502561764        0.0559471208
  C        24.1373779050       15.2861318522        0.0449990319
  H        32.8639099226        6.6535082007        1.4201945839
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  H        15.8229523802       18.7011397300        2.1740573295
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  N        26.9506000402       10.1268526253        0.5280705621
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  H        23.0919398363       11.5875845171        9.2028375613
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  H        11.3075609517       24.3384851379        8.7902652084
  H         1.3712919845       26.8785621062       10.7579337445
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  N        19.9678849730       13.9914547229        0.0007760879
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  N        37.9867689814        0.0000338802        0.0008131806
 Co        19.9679323444       15.9730773341        0.0005991091
 Co         0.0000269168        0.0000064064       -0.0002138625
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  H        15.8230429674       13.2468467949        3.2556744971
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  H        36.8104900018       27.5602534370        3.7784449639
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  C        17.1682557985       14.8757261639        5.3444085931
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  H        18.5984048847       10.9089740399        5.3239821652
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  H        24.1127589863       18.6992277680        3.2556847853
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  H         3.1254074179        4.3859424335        3.7782858340
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  C        31.1788569375       24.6489723787        5.2454283197
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  C        25.7703939924       21.0818026188        5.0805226053
  C        22.7676145433       17.0703562071        5.3444260454
  C        20.6495262082       20.2029749660        5.3734142216
  C        24.1493337665       16.6534084561        5.3817199355
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  H        21.3374277794       21.0371754678        5.3239835837
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  C        24.1493832801       15.2928618063        5.4737269861
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  H        15.8224597880       18.6992228942        7.5998721839
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  C        36.1402940693        4.3350156023        6.2248456102
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  H        36.8116792686        4.3860027459        7.0774403805
  N         6.9791236004       26.0917611362        4.8948820364
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  H        18.5980819165       21.0370328799        5.5317119971
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  H        16.8456350770       11.5873562484        7.0794080546
  N        26.9500305945       21.8196406678        4.8994187626
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  C        28.7262511616       23.2681566003        5.6109659529
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  C        36.4049114532       28.5320044145        5.6583495198
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  C        37.1371320437       30.8461338630        5.5423552442
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  C        35.7540686435       31.2752481046        5.5159262756
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  H        38.5621373902       26.8778214565        5.5254836836
  C        34.4357415232        4.2152795581        4.0341798851
  C        35.5430355110        3.3783444302        4.0899485683
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  H        35.7703831029        2.6997109328        3.2693700429
  C        15.0539032051       21.1341597417        4.6793443793
  C        16.1806127077       20.3185577944        4.6370534106
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  H        16.8451437246       20.3588812564        3.7761377320
  N        26.9506371694       10.1264749756        5.9561278363
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  C        28.7270192845        8.6779423984        5.2446094761
  C        29.4887561153        8.8591191315        6.4198046507
  C        29.2154659603        7.7887519587        4.2622163717
  C        38.8444373103        2.8476850302        5.3652648255
  C        36.4061731546        3.4135881048        5.1974366387
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  C        37.1374944539        1.0998510956        5.3108223003
  C        39.2560027578        4.2307786736        5.3798425938
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  H        29.1361828607        9.5576858864        7.1768115543
  H        28.6282993936        7.6072950167        3.3625881916
  H        38.5635315873        5.0676888897        5.3303558596
  C         5.5000931345       27.7306960196        4.0340333785
  C         4.3927380606       28.5674788571        4.0897057932
  H         6.1573253076       27.7704248122        3.1716298067
  H         4.1656518773       29.2462203152        3.2693987286
  C        24.8819086465       10.8118889233        4.6793176167
  C        23.7552056550       11.6275153628        4.6370732260
  H        25.0581777934       10.1432279533        3.8431316181
  H        23.0906604043       11.5871850992        3.7761401726
  N        12.9852364194       21.8195976597        5.9561396618
  C        12.4587639702       22.5447309381        5.0178883466
  C        11.2087941989       23.2681395454        5.2446288942
  C        10.4470684372       23.0870387509        6.4197685793
  C        10.7203008142       24.1573233903        4.2622226702
  C         1.0914362200       29.0980141239        5.3652832396
  C         3.5298347282       28.5318778311        5.1971663093
  C         2.4176389632       29.5062684554        5.2863271026
  C         5.8083609340       26.8425222495        5.0810546442
  C         2.7976042110       30.8460561577        5.3130146954
  C         0.6802668486       27.7150736805        5.3798782323
  C         4.1802078104       31.2754551891        5.3402748522
  H        12.8967077716       22.6303179901        4.0111270227
  H        10.7996397429       22.3884658710        7.1767711798
  H        11.3074781327       24.3387506175        3.3626419955
  H         1.3724102853       26.8776867192        5.3303250558
  N        19.9677678892       17.9671794626        5.4275322508
  N        19.9680697753       13.9789188425        5.4275188904
  N        -0.0013748450       29.9563300112        5.4269656726
  N         0.0000399300        1.9895455802        5.4269421002
  N        18.0188205639       15.9730970354        5.4274970944
  N        21.9170244204       15.9729995731        5.4275181169
  N         1.9438325649       -0.0007959284        5.4293842553
  N        37.9939773042       -0.0007123711        5.4253928667
 Co        19.9679238927       15.9730508061        5.4276316019
 Co         0.0003440501        0.0004578719        5.4269544721
  H        24.9805269299       17.3404695637       10.7773805186
  H        24.9812616195       14.6025106078        0.0784706466
  H        14.9555130273       14.6057510235       10.7776267944
  H        14.9545642672       17.3434470053        0.0788911619
  H        14.9416444913       17.3401037963        5.5074315467
  H        14.9416928577       14.6058182118        5.3481152529
  H        24.9943165050       14.6059777675        5.5074162965
  H        24.9942610817       17.3403059735        5.3480963297
     412
 i =       14, E =     -2345.6311397198
  C        14.4805922451       11.7405097142        9.4554566530
  C        15.6040256369       12.5565812714        9.5028361358
  H        13.8085767531       11.7888186494        8.6050026911
  H        15.8181784109       13.2430057930        8.6892789463
  C        35.0095847684       26.7816913013       10.1120945454
  C        36.1324468231       27.6052943769       10.0638983470
  H        34.8354267617       26.1018158946        9.2815877751
  H        36.8040708376       27.5556525703        9.2095206997
  N         6.9794552090        5.8544006030        0.5331775633
  C         7.5055034136        6.5734042414       10.4516584252
  C         8.7548541875        7.2977188156       10.6795497662
  C         9.5198308963        7.1097353942        0.9897685630
  C         9.2419956109        8.1870275724        9.6968079142
  C        18.8714489041       13.1320695134       10.7887119179
  C        16.4577323361       12.5349185406       10.6142459907
  C        17.5455492144       13.5328538539       10.7200290640
  C        14.1628041816       10.8644474041       10.5102554468
  C        17.1669074297       14.8731240290       10.7773651949
  C        19.2875238118       11.7560239783       10.8055296670
  C        15.7982492022       15.2937192548       10.8137929785
  H         7.0732550078        6.6551319787        9.4427497062
  H         9.1643331440        6.4124366114        1.7436384824
  H         8.6581052666        8.3643938339        8.7964848772
  H        18.6003334212       10.9200848990       10.7523622233
  C        25.4477303322       20.2032016663        9.4554455100
  C        24.3241910998       19.3871081722        9.5028979745
  H        26.1201023375       20.1543141122        8.6045669872
  H        24.1100698434       18.6999948285        8.6890558178
  C         4.9186996210        5.1623811727       10.1121862579
  C         3.7963847504        4.3390759268       10.0641095660
  H         5.0927184152        5.8407356787        9.2828405570
  H         3.1251296742        4.3877281507        9.2109972677
  N        32.9482800286       26.0838903323        0.5346371945
  C        32.4224688306       25.3704843385       10.4513322634
  C        31.1736159402       24.6467338617       10.6795094022
  C        30.4081886637       24.8284373408        0.9897289206
  C        30.6864052255       23.7568670051        9.6967381403
  C        21.0568474155       18.8125293702       10.7885269851
  C        23.4705814106       19.4094777940       10.6143645183
  C        22.3829387567       18.4117487508       10.7202808947
  C        25.7656697777       21.0799948286       10.5102962463
  C        22.7615069027       17.0714036314       10.7771932501
  C        20.6408501574       20.1886456482       10.8055052034
  C        24.1301456570       16.6510284887       10.8138219805
  H        32.8556951921       25.2885355963        9.4414856326
  H        30.7640883994       25.5272149585        1.7446220096
  H        31.2708561395       23.5786972981        8.7955473433
  H        21.3282172342       21.0246888260       10.7524748227
  C        25.4480583370       11.7373478014        1.4052085708
  C        24.3242509070       12.5530585043        1.3580985460
  H        26.1205852297       11.7864867330        2.2558808090
  H        24.1104393474       13.2405602766        2.1716199951
  C         4.9173115397       26.7788222338        0.7481249381
  C         3.7949767935       27.6021670747        0.7962712340
  H         5.0914752056       26.1002905482        1.5773756995
  H         3.1239104286       27.5532046017        1.6494360787
  N        32.9495173459        5.8572182063       10.3255729246
  C        32.4231184957        6.5706324447        0.4088038213
  C        31.1742317626        7.2943658451        0.1806587141
  C        30.4092191678        7.1127160813        9.8704834662
  C        30.6869803656        8.1842280080        1.1634224820
  C        21.0585969542       13.1278654037        0.0732712143
  C        23.4714044858       12.5312708764        0.2463798103
  C        22.3838037343       13.5292478918        0.1408649654
  C        25.7660266139       10.8610997241        0.3499267298
  C        22.7621102184       14.8685565973        0.0805615981
  C        20.6448517476       11.7517001605        0.0557049995
  C        24.1307598976       15.2871633542        0.0449272484
  H        32.8563911812        6.6526134158        1.4186974292
  H        30.7650695894        6.4139602768        9.1155600935
  H        31.2714179118        8.3624277396        2.0646338848
  H        21.3323652179       10.9159981972        0.1069283493
  C        14.4798956448       20.2011871954        1.4051718362
  C        15.6036207799       19.3855137542        1.3581092463
  H        13.8077762874       20.1526019282        2.2554760788
  H        15.8175456857       18.6986642958        2.1713667273
  C        35.0103603661        5.1594565012        0.7479424296
  C        36.1332889435        4.3359387207        0.7960774546
  H        34.8363678141        5.8391310413        1.5785852564
  H        36.8050691464        4.3853772705        1.6504704955
  N         6.9786706295       26.0867532744       10.3269791370
  C         7.5043181716       25.3677399297        0.4084917597
  C         8.7537335737       24.6434033496        0.1806086292
  C         9.5192361809       24.8313447196        9.8703939137
  C         9.2409916728       23.7541152878        1.1633477951
  C        18.8692441749       18.8099380085        0.0728925982
  C        16.4564325812       19.4066611924        0.2463426646
  C        17.5441604125       18.4084853782        0.1406836857
  C        14.1619204730       21.0767104392        0.3499674274
  C        17.1658674106       17.0691285406        0.0805263279
  C        19.2830182040       20.1860613874        0.0557182445
  C        15.7971463176       16.6504034690        0.0449619731
  H         7.0721679966       25.2859972849        1.4174031624
  H         9.1637018893       25.5286107515        9.1165094016
  H         8.6571849686       23.5767230889        2.0637177770
  H        18.5956641450       21.0216625301        0.1067568592
  C         5.5014163984        4.2112138836        1.3961274365
  C         4.3928939647        3.3757112309        1.3378349833
  H         6.1619652010        4.1781722540        2.2540340981
  H         4.1702531538        2.6999143870        2.1550201471
  C        24.8764897198       21.1333053851        0.7463573364
  C        23.7489976759       20.3135224063        0.7888861611
  H        25.0561809812       21.8010969404        1.5848292545
  H        23.0872076463       20.3536726238        1.6513043912
  N        12.9834957192       10.1261704754       10.3315413044
  C        12.4574234508        9.4018688442        0.4080736046
  C        11.2084829837        8.6771550412        0.1814386811
  C        10.4441720183        8.8628501040        9.8704282427
  C        10.7218537422        7.7861040305        1.1633011861
  C         1.0973008766        2.8463145240        0.0625603747
  C         3.5306206563        3.4128187271        0.2316985333
  C         2.4238404892        2.4339069932        0.1403825357
  C         5.8086015710        5.1015451267        0.3506158085
  C         2.7999139074        1.0981467047        0.1118575977
  C         0.6822516071        4.2262150475        0.0478410059
  C         4.1672232881        0.6758098269        0.0880266103
  H        12.8935444948        9.3129416773        1.4155802520
  H        10.8006916106        9.5586283901        9.1156703739
  H        11.3065474205        7.6082015182        2.0631559996
  H         1.3673848022        5.0647019745        0.0983984996
  C        34.4262932092       27.7269368473        1.3957740370
  C        35.5352718635       28.5626949329        1.3371279366
  H        33.7649609340       27.7611399857        2.2557920153
  H        35.7583794652       29.2405924446        2.1567046964
  C        15.0514561304       10.8048270648        0.7463429562
  C        16.1788521518       11.6245969843        0.7888295568
  H        14.8719360913       10.1379067066        1.5844173452
  H        16.8406412532       11.5850585919        1.6510352310
  N        26.9448646465       21.8177669087       10.3308511990
  C        27.4706084433       22.5361659636        0.4081872291
  C        28.7192497016       23.2604829610        0.1814355142
  C        29.4839389197       23.0810216604        9.8704463059
  C        29.2058253077       24.1520177061        1.1633077504
  C        38.8310948336       29.0915927289        0.0626664557
  C        36.3980863884       28.5252734450        0.2314355604
  C        37.5044488906       29.5030348887        0.1416084514
  C        34.1190743747       26.8359914532        0.3502132624
  C        37.1292192246       30.8402307709        0.1136054653
  C        39.2463736174       27.7114423359        0.0475650272
  C        35.7587225809       31.2577511286        0.0884686347
  H        27.0341370957       22.6256418578        1.4162398909
  H        29.1273936395       22.3842849302        9.1150256692
  H        28.6209030116       24.3309558745        2.0640286158
  H        38.5601335194       26.8727108128        0.0983722386
  C        34.4277118574        4.2141622103        9.4642744785
  C        35.5368009045        3.3783847946        9.5227809670
  H        33.7661547696        4.1799456778        8.6043661503
  H        35.7595128359        2.7005621841        8.7032089589
  C        15.0507158976       21.1359776193       10.1135636241
  C        16.1778398150       20.3158448108       10.0710589916
  H        14.8716131393       21.8032325614        9.2757002156
  H        16.8399791683       20.3555690621        9.2091505368
  N        26.9453227316       10.1232536265        0.5292801712
  C        27.4715162734        9.4049129378       10.4519603366
  C        28.7202279509        8.6806325313       10.6787369042
  C        29.4844763245        8.8600535239        0.9896985982
  C        29.2068195924        7.7890988780        9.6968910919
  C        38.8326141707        2.8496562495       10.7977294573
  C        36.3994821233        3.4158403074       10.6286246435
  C        37.5059121200        2.4381521178       10.7195760556
  C        34.1203313188        5.1051123161       10.5098524871
  C        37.1307707027        1.1009441731       10.7477922929
  C        39.2479072560        4.2297756253       10.8125528669
  C        35.7606025990        0.6830488457       10.7711779394
  H        27.0349674184        9.3153830221        9.4439034510
  H        29.1279639437        9.5567562113        1.7451547945
  H        28.6218997550        7.6101189600        8.7961633241
  H        38.5616106911        5.0684698016       10.7619262681
  C         5.5005497524       27.7298995779        9.4642123871
  C         4.3920660024       28.5653231500        9.5226230958
  H         6.1607793409       27.7629935550        8.6061331066
  H         4.1690041687       29.2410567078        8.7054406405
  C        24.8776289048       10.8081944413       10.1135943107
  C        23.7503880077       11.6283677873       10.0710776293
  H        25.0568040376       10.1400571128        9.2753343280
  H        23.0881890674       11.5879737018        9.2089403191
  N        12.9825365664       21.8150272136        0.5286275556
  C        12.4569743839       22.5392748663       10.4520826517
  C        11.2079947040       23.2639690455       10.6787042067
  C        10.4431883322       23.0783061895        0.9897398680
  C        10.7212771919       24.1549959257        9.6968793279
  C         1.0962555695       29.0949430133       10.7973652126
  C         3.5296328185       28.5283082163       10.6286108661
  C         2.4227856579       29.5072497834       10.7187746983
  C         5.8077520339       26.8395831695       10.5096979936
  C         2.7986540042       30.8430962318       10.7470924969
  C         0.6811942415       27.7150362717       10.8124108451
  C         4.1661659320       31.2654829267       10.7726767149
  H        12.8931006659       22.6282511423        9.4445530151
  H        10.7997466994       22.3825616948        1.7445247085
  H        11.3058926325       24.3329427684        8.7969980933
  H         1.3663515390       26.8765915090       10.7616696220
  N        19.9639187589       17.9528279122        0.0005798988
  N        19.9639398459       13.9848468504        0.0005832784
  N        -0.0008329188       29.9419318931       -0.0000834330
  N         0.0004717764        1.9958379016        0.0000249657
  N        18.0196781982       15.9671639956       -0.0021599908
  N        21.9080203831       15.9705167145       -0.0007040057
  N         1.9558632149       -0.0000329968       -0.0008383872
  N        37.9748122790        0.0000283028        0.0008216182
 Co        19.9640843171       15.9689261584        0.0005708416
 Co         0.0001781335        0.0000222521       -0.0002779646
  C        14.4799760671       11.7385913150        4.0249928140
  C        15.6034735185       12.5542164477        4.0725993363
  H        13.8077005016       11.7866738934        3.1746895176
  H        15.8176265624       13.2427454193        3.2607839994
  C        35.0088126570       26.7794624330        4.6815431214
  C        36.1328122363       27.6034398755        4.6331827686
  H        34.8357516178       26.0997173841        3.8508638994
  H        36.8053525175       27.5544744791        3.7783040420
  N         6.9793658315        5.8560827544        5.9637555268
  C         7.5051985599        6.5716173170        5.0217701007
  C         8.7543421390        7.2958256981        5.2495120021
  C         9.5197289242        7.1113386203        6.4199862450
  C         9.2416104548        8.1851548604        4.2667233896
  C        18.8693788906       13.1219995980        5.3589322680
  C        16.4563032410       12.5335909633        5.1841669714
  C        17.5437038601       13.5324345866        5.2906531296
  C        14.1623289546       10.8626466195        5.0800309487
  C        17.1611890126       14.8727939839        5.3476401000
  C        19.2848135446       11.7458976855        5.3760579759
  C        15.7839508114       15.2928633591        5.3838823436
  H         7.0726378351        6.6530944056        4.0126342150
  H         9.1641897684        6.4138620334        7.1738406071
  H         8.6575499530        8.3625776348        3.3664089518
  H        18.5987121905       10.9078452691        5.3247517072
  C        25.4480903578       20.2016101503        4.0249647276
  C        24.3245115678       19.3859573452        4.0726133859
  H        26.1207362884       20.1529749726        3.1742550080
  H        24.1104005456       18.6967799444        3.2605457735
  C         4.9185415224        5.1605683390        4.6816160065
  C         3.7957534483        4.3370775450        4.6335385293
  H         5.0921258693        5.8392696258        3.8523148352
  H         3.1240934702        4.3855621828        3.7797372282
  N        32.9483425295       26.0855839190        5.9654750915
  C        32.4223604638       25.3685976362        5.0212467413
  C        31.1738349456       24.6451039353        5.2494426709
  C        30.4085079855       24.8303018067        6.4199639052
  C        30.6864850624       23.7552050268        4.2666177528
  C        21.0587358571       18.8190284010        5.3589445479
  C        23.4717485926       19.4072722687        5.1841957373
  C        22.3845014871       18.4086446030        5.2906794807
  C        25.7658835662       21.0782945337        5.0800671595
  C        22.7669759928       17.0682037502        5.3476493930
  C        20.6433241583       20.1951710645        5.3760682835
  C        24.1442186375       16.6483561015        5.3838668865
  H        32.8561369210       25.2870233350        4.0112181888
  H        30.7645185332       25.5293256258        7.1748193028
  H        31.2711647213       23.5769972717        3.3654555705
  H        21.3295758588       21.0333338557        5.3247448710
  C        25.4486058764       11.7395117371        6.8351806079
  C        24.3249950251       12.5551813673        6.7874964917
  H        26.1211919300       11.7882089195        7.6859461431
  H        24.1110861614       13.2443861398        7.5996190601
  C         4.9178053656       26.7803662662        6.1785052841
  C         3.7948332502       27.6040646922        6.2264863418
  H         5.0911264141       26.1018822791        7.0078874271
  H         3.1229928696       27.5555508799        7.0802708665
  N        32.9494240385        5.8554481539        4.8946889697
  C        32.4232949008        6.5724848313        5.8388632251
  C        31.1747144941        7.2959982850        5.6107047571
  C        30.4092935929        7.1108429886        4.4402194091
  C        30.6873542330        8.1858877357        6.5935475606
  C        21.0590190437       13.1220618472        5.5009120928
  C        23.4721211873       12.5338484973        5.6759544152
  C        22.3847857622       13.5324274623        5.5692745347
  C        25.7663924632       10.8628188957        5.7800847902
  C        22.7670974024       14.8729122159        5.5121494907
  C        20.6435634541       11.7459529354        5.4841162515
  C        24.1442787650       15.2929174400        5.4761624946
  H        32.8570724655        6.6540798383        6.8489467447
  H        30.7652362990        6.4118583846        3.6853157429
  H        31.2719898749        8.3641276705        7.4947207742
  H        21.3298659510       10.9078505006        5.5355760539
  C        14.4796148499       20.2024970995        6.8351380767
  C        15.6031171877       19.3868560715        6.7875188721
  H        13.8074396008       20.1543662679        7.6855251788
  H        15.8171374404       18.6983248873        7.5993649951
  C        35.0102672730        5.1613940103        6.1787121282
  C        36.1341625625        4.3376654210        6.2271573081
  H        34.8369431857        5.8413377920        7.0093330463
  H        36.8064632055        4.3867040966        7.0820668542
  N         6.9784598693       26.0849831854        4.8964506568
  C         7.5043151817       25.3694579057        5.8384540496
  C         8.7535001829       24.6452733242        5.6106681306
  C         9.5188871733       24.8297196400        4.4401915025
  C         9.2408873401       23.7559578672        6.5934320035
  C        18.8691065719       18.8191053356        5.5009241902
  C        16.4559592629       19.4075224136        5.6759702977
  C        17.5434055201       18.4087155841        5.5692745121
  C        14.1618224414       21.0784628813        5.7801277549
  C        17.1610785556       17.0683129029        5.5121332036
  C        19.2845774075       20.1951997478        5.4841258511
  C        15.7838981564       16.6480820098        5.4761513515
  H         7.0718110701       25.2879680946        6.8475607092
  H         9.1632953697       25.5271790968        3.6863299532
  H         8.6568916666       23.5784990629        7.4937886465
  H        18.5984171096       21.0331930365        5.5355574262
  C         5.5014323893        4.2125012879        6.8264479670
  C         4.3928825414        3.3769696541        6.7678062253
  H         6.1621150330        4.1794475074        7.6848181822
  H         4.1695681211        2.7005552644        7.5857100714
  C        24.8772575565       21.1349323033        6.1768549385
  C        23.7498880972       20.3151389865        6.2189060838
  H        25.0562900081       21.8041939351        7.0144933739
  H        23.0865019921       20.3552244147        7.0801608551
  N        12.9831210561       10.1239071102        4.9011231090
  C        12.4574969708        9.4031964444        5.8381234655
  C        11.2085335367        8.6787796276        5.6116157227
  C        10.4437816420        8.8609960698        4.4404017916
  C        10.7217911467        7.7876543468        6.5933915939
  C         1.0956380193        2.8489504262        5.4923259201
  C         3.5308312121        3.4149020955        5.6618027870
  C         2.4228953611        2.4344210099        5.5706661086
  C         5.8086151930        5.1031097169        5.7804718143
  C         2.8084843458        1.1014955202        5.5440304905
  C         0.6827079517        4.2288338899        5.4781936371
  C         4.1644586455        0.6681001828        5.5160714037
  H        12.8938830711        9.3142249387        6.8457188125
  H        10.8003665365        9.5569515620        3.6857622439
  H        11.3066747443        7.6095770062        7.4931177577
  H         1.3688250871        5.0668687182        5.5290233227
  C        34.4265782844       27.7289296882        6.8268209037
  C        35.5354950953       28.5644994112        6.7686204019
  H        33.7645473322       27.7632641251        7.6868291956
  H        35.7590629098       29.2442322728        7.5879991493
  C        15.0509116436       10.8066363116        6.1768646074
  C        16.1781820852       11.6263880739        6.2189087590
  H        14.8720479172       10.1382678556        7.0141019618
  H        16.8415629214       11.5869618704        7.0799101072
  N        26.9449492750       21.8165207421        4.9004035734
  C        27.4708122656       22.5383456327        5.8382391504
  C        28.7193920377       23.2623148043        5.6116265173
  C        29.4840327323       23.0793643534        4.4404072474
  C        29.2061246593       24.1539371321        6.5934041639
  C        38.8341811167       29.0913656703        5.4917818704
  C        36.3983319287       28.5259947861        5.6620833179
  C        37.5062071185       29.5050578183        5.5730191623
  C        34.1190492710       26.8376455519        5.7798862857
  C        37.1251483177       30.8413203141        5.5426948564
  C        39.2461037057       27.7119236892        5.4771128584
  C        35.7532118209       31.2633765319        5.5190064992
  H        27.0340395614       22.6278453827        6.8463909025
  H        29.1274344491       22.3824459003        3.6851168802
  H        28.6210139064       24.3330711470        7.4939924329
  H        38.5587245150       26.8734182728        5.5286259327
  C        34.4273554426        4.2121980523        4.0335629381
  C        35.5363907020        3.3763254861        4.0920942169
  H        33.7657631369        4.1777363313        3.1733177812
  H        35.7604376874        2.6969721669        3.2719349677
  C        15.0504145567       21.1344628757        4.6833142761
  C        16.1777367513       20.3147543670        4.6412946822
  H        14.8715115250       21.8027802512        3.8460225477
  H        16.8410467746       20.3542883569        3.7802403149
  N        26.9455477679       10.1245953636        5.9597151446
  C        27.4714178088        9.4027855584        5.0219287696
  C        28.7201337510        8.6787930301        5.2485775280
  C        29.4848556361        8.8617043822        6.4197467445
  C        29.2068560394        7.7871790640        4.2667750507
  C        38.8354783510        2.8492670560        5.3670815490
  C        36.3996269928        3.4145401444        5.1989467244
  C        37.5077453282        2.4367928881        5.2888037117
  C        34.1200817680        5.1034540181        5.0802575842
  C        37.1248636863        1.0998467272        5.3148883968
  C        39.2477666932        4.2290760863        5.3821788983
  C        35.7565565405        0.6777975477        5.3426829967
  H        27.0346652333        9.3132395868        4.0137792301
  H        29.1282909054        9.5585802732        7.1750809104
  H        28.6217691417        7.6080261429        3.3661669673
  H        38.5600119261        5.0672641898        5.3316768073
  C         5.5000607780       27.7285326170        4.0335169860
  C         4.3915583492       28.5636890604        4.0918410126
  H         6.1610511928       27.7616020876        3.1752792165
  H         4.1686030732       29.2405733059        3.2745739634
  C        24.8777029938       10.8061793253        4.6833230090
  C        23.7502715964       11.6259078436        4.6412846370
  H        25.0566801136       10.1369892676        3.8456364668
  H        23.0868907096       11.5857458835        3.7800262627
  N        12.9825865510       21.8171819783        5.9590453536
  C        12.4568127643       22.5379078543        5.0220731096
  C        11.2078456395       23.2623128454        5.2485421545
  C        10.4430843235       23.0801443476        6.4197702896
  C        10.7209635190       24.1534193797        4.2667939081
  C         1.0943488712       29.0916509375        5.3672955497
  C         3.5297445039       28.5255967476        5.1975276576
  C         2.4218748547       29.5073003515        5.2869509019
  C         5.8075824648       26.8379585335        5.0797929492
  C         2.8053891928       30.8397658041        5.3174474420
  C         0.6818522150       27.7121763802        5.3829698697
  C         4.1649167432       31.2735045834        5.3432955380
  H        12.8931521621       22.6268998520        4.0144339473
  H        10.7996916527       22.3842214545        7.1744364566
  H        11.3057614281       24.3315419180        3.3670221053
  H         1.3676767627       26.8738502773        5.3318685990
  N        19.9639041137       17.9653852584        5.4298753211
  N        19.9641741088       13.9757121596        5.4298427946
  N        -0.0003074183       29.9447461863        5.4293234843
  N         0.0010637919        1.9957407934        5.4293520416
  N        18.0122300317       15.9705850765        5.4298241904
  N        21.9158579422       15.9705125497        5.4298554346
  N         1.9464033801       -0.0000990979        5.4354816016
  N        37.9904015957       -0.0000460087        5.4235252923
 Co        19.9641144054       15.9705569074        5.4298069185
 Co         0.0002838315        0.0025568726        5.4296764642
  H        24.9746340601       17.3332040575       10.7822341627
  H        24.9749689675       14.6048992861        0.0781196350
  H        14.9542349947       14.6115994561       10.7824806851
  H        14.9532959358       17.3325234588        0.0785803166
  H        14.9413669758       17.3301250923        5.5094067803
  H        14.9414244428       14.6108057331        5.3507573376
  H        24.9872298245       14.6107897937        5.5093973238
  H        24.9871626547       17.3305143510        5.3507295764
     412
 i =       15, E =     -2345.6319369487
  C        14.4793869252       11.7406694454        9.4605955988
  C        15.6028066401       12.5565003137        9.5085320894
  H        13.8049467458       11.7873963135        8.6118815528
  H        15.8165501941       13.2443244347        8.6963224942
  C        35.0070715390       26.7813699789       10.1180303078
  C        36.1299691529       27.6054247177       10.0697969096
  H        34.8320065647       26.0991060522        9.2886341583
  H        36.8034972152       27.5564902500        9.2152761546
  N         6.9793331909        5.8547818707        0.5347652981
  C         7.5055247721        6.5732513193       10.4583781971
  C         8.7546520419        7.2979154045       10.6858680130
  C         9.5201921465        7.1098223723        0.9896046435
  C         9.2409780605        8.1873441127        9.7030163838
  C        18.8701583858       13.1326530982       10.7950234068
  C        16.4562136034       12.5347018875       10.6200649636
  C        17.5440322044       13.5342523785       10.7262273910
  C        14.1621998243       10.8644367938       10.5155517593
  C        17.1661353420       14.8734268614       10.7835918470
  C        19.2860032995       11.7570035157       10.8117061567
  C        15.7950961122       15.2949601150       10.8194701454
  H         7.0730722969        6.6553137286        9.4493782920
  H         9.1626400643        6.4104213028        1.7413464307
  H         8.6558665748        8.3644554160        8.8031246758
  H        18.6013421003       10.9201875544       10.7571474043
  C        25.4468150268       20.2040019137        9.4605562819
  C        24.3232306966       19.3880899536        9.5085369462
  H        26.1215955310       20.1566453884        8.6114282409
  H        24.1095349314       18.6996013394        8.6961269885
  C         4.9191058373        5.1635375496       10.1184040744
  C         3.7968412430        4.3398432030       10.0701590926
  H         5.0939854437        5.8443545880        9.2899580728
  H         3.1236571082        4.3878448090        9.2169086962
  N        32.9459531569       26.0837692325        0.5360754665
  C        32.4205082458       25.3718212620       10.4582033939
  C        31.1716243592       24.6474714115       10.6857697276
  C        30.4056960896       24.8290392516        0.9897747458
  C        30.6853127957       23.7574608082        9.7027993928
  C        21.0559729356       18.8129419195       10.7948713635
  C        23.4699144231       19.4107169158       10.6202455194
  C        22.3822144452       18.4113483774       10.7264846629
  C        25.7640937897       21.0809362570       10.5155185337
  C        22.7600624150       17.0720957894       10.7833525546
  C        20.6402001094       20.1886817818       10.8116637425
  C        24.1311669344       16.6507931306       10.8194843317
  H        32.8537803067       25.2893061191        9.4480017453
  H        30.7636319690       25.5298571992        1.7423454791
  H        31.2709829752       23.5795408518        8.8021320893
  H        21.3250429989       21.0255748908       10.7572595523
  C        25.4471387495       11.7372989787        1.4060654577
  C        24.3233208223       12.5528323014        1.3584295908
  H        26.1220787232       11.7848866328        2.2549922679
  H        24.1098929371       13.2416778402        2.1705433829
  C         4.9177438433       26.7784515173        0.7478772572
  C         3.7954821761       27.6021313171        0.7961680420
  H         5.0927832355       26.0974356373        1.5762469554
  H         3.1224663959       27.5538677474        1.6495261035
  N        32.9471256973        5.8581096859       10.3301034676
  C        32.4211375281        6.5700516498        0.4079040722
  C        31.1721993871        7.2943954399        0.1803552566
  C        30.4066818310        7.1128784349        9.8764019733
  C        30.6858564514        8.1844022758        1.1633272366
  C        21.0575869807       13.1283214250        0.0729837983
  C        23.4707609608       12.5307919956        0.2464682639
  C        22.3831432971       13.5303499931        0.1405632082
  C        25.7644636423       10.8609045708        0.3506697108
  C        22.7605185481       14.8689797506        0.0803156470
  C        20.6439922171       11.7525020700        0.0555011524
  C        24.1316812911       15.2882922498        0.0451837763
  H        32.8544323684        6.6526062119        1.4181225693
  H        30.7645605421        6.4120883584        9.1238083070
  H        31.2715074462        8.3623450910        2.0639963703
  H        21.3291538940       10.9160090067        0.1081062480
  C        14.4787046406       20.2018046633        1.4060011493
  C        15.6023835996       19.3863659374        1.3583851939
  H        13.8041455947       20.1548198372        2.2545831091
  H        15.8159408398       18.6981498603        2.1703165700
  C        35.0077692650        5.1605697244        0.7479644001
  C        36.1307632002        4.3365370612        0.7961591938
  H        34.8329007357        5.8426204100        1.5775030488
  H        36.8044406649        4.3853211479        1.6506695881
  N         6.9785837007       26.0871409801       10.3313389683
  C         7.5044033832       25.3686457134        0.4077313952
  C         8.7535737283       24.6439695741        0.1802565048
  C         9.5196269090       24.8320241822        9.8765177937
  C         9.2400114825       23.7545630133        1.1631020646
  C        18.8680754453       18.8100122950        0.0725225391
  C        16.4549150613       19.4076311299        0.2464872144
  C        17.5426253341       18.4079026389        0.1403810852
  C        14.1613177259       21.0774989281        0.3506418496
  C        17.1652700297       17.0692120300        0.0802856662
  C        19.2817241195       20.1857605720        0.0555232685
  C        15.7941052378       16.6497955901        0.0452268232
  H         7.0720178921       25.2865785120        1.4167713473
  H         9.1620431359       25.5314004625        9.1247456927
  H         8.6549714638       23.5774232942        2.0630591558
  H        18.5967269511       21.0221873131        0.1079367203
  C         5.5018559495        4.2112791918        1.3966579732
  C         4.3932846781        3.3762754578        1.3378731778
  H         6.1651523410        4.1794458442        2.2531998485
  H         4.1714004921        2.6973586735        2.1542717572
  C        24.8753926306       21.1346548375        0.7463354274
  C        23.7484992105       20.3143234313        0.7889796924
  H        25.0564719527       21.8043966739        1.5833453738
  H        23.0851967789       20.3538801351        1.6503841774
  N        12.9825114235       10.1261110056       10.3361984362
  C        12.4568282904        9.4029302692        0.4073094834
  C        11.2074876137        8.6776222493        0.1810466504
  C        10.4427400289        8.8634061715        9.8765134322
  C        10.7217943416        7.7863385308        1.1630909355
  C         1.0975510619        2.8461571297        0.0623937054
  C         3.5311739986        3.4132713302        0.2317876600
  C         2.4242792064        2.4344584682        0.1406765244
  C         5.8083950609        5.1017715916        0.3510188876
  C         2.8007721214        1.0986748237        0.1116160069
  C         0.6820113667        4.2258342165        0.0474478641
  C         4.1661579060        0.6765543587        0.0881935192
  H        12.8926403803        9.3129672457        1.4148280009
  H        10.8012251110        9.5610002510        9.1240415386
  H        11.3076374585        7.6086099141        2.0624139193
  H         1.3656492139        5.0653719404        0.0991789059
  C        34.4234715147       27.7274245205        1.3965068312
  C        35.5327810977       28.5629965886        1.3374977345
  H        33.7594882872       27.7605104392        2.2551190424
  H        35.7550985701       29.2438209109        2.1560894681
  C        15.0503868356       10.8040914379        0.7462238951
  C        16.1771436960       11.6243121785        0.7889346314
  H        14.8694814861       10.1351834150        1.5829608416
  H        16.8404654286       11.5854435160        1.6500866159
  N        26.9438294668       21.8189372280       10.3356210230
  C        27.4688548816       22.5354904096        0.4073220509
  C        28.7180540068       23.2605481582        0.1810684730
  C        29.4831729849       23.0813320128        9.8763889753
  C        29.2036409157       24.1523594891        1.1632138791
  C        38.8288750256       29.0922279994        0.0624711953
  C        36.3954544266       28.5253092987        0.2313879509
  C        37.5021669466       29.5029562780        0.1415379307
  C        34.1169946511       26.8362772606        0.3507220645
  C        37.1257827248       30.8400635657        0.1133667715
  C        39.2445147303       27.7122210034        0.0472905877
  C        35.7577474725       31.2586092985        0.0885005383
  H        27.0328473442       22.6261977784        1.4155323330
  H        29.1246841915       22.3828224098        9.1233861297
  H        28.6175978654       24.3311731162        2.0633441366
  H        38.5597145579       26.8725504245        0.0991749941
  C        34.4248798307        4.2144305567        9.4695041686
  C        35.5342559706        3.3788892178        9.5283929763
  H        33.7606527189        4.1813267439        8.6110224905
  H        35.7561580706        2.6980575358        8.7097907911
  C        15.0496487896       21.1374823752       10.1196553907
  C        16.1761396725       20.3169384071       10.0769422768
  H        14.8691491567       21.8067178430        9.2830986823
  H        16.8397842000       20.3559109262        9.2160507599
  N        26.9442697144       10.1228432713        0.5304750447
  C        27.4697416836        9.4063390770       10.4587824661
  C        28.7189994175        8.6813263741       10.6850649772
  C        29.4836863850        8.8605056780        0.9897184862
  C        29.2045988610        7.7895164446        9.7029455259
  C        38.8303616080        2.8498289514       10.8038698393
  C        36.3967587597        3.4166203566       10.6346087754
  C        37.5034626168        2.4388339485       10.7252601259
  C        34.1182190426        5.1055861410       10.5153320768
  C        37.1275261864        1.1018256521       10.7539523289
  C        39.2459348954        4.2297217441       10.8189250631
  C        35.7592786788        0.6829079084       10.7771446473
  H        27.0336503901        9.3155889493        9.4505884933
  H        29.1252381157        9.5589751615        1.7427515636
  H        28.6185615190        7.6106676267        8.8028265302
  H        38.5611485669        5.0693843363       10.7671079744
  C         5.5010824143       27.7305846571        9.4696534808
  C         4.3925084898       28.5655604919        9.5285446568
  H         6.1640555452       27.7624743886        8.6128861220
  H         4.1701931987       29.2443590016        8.7121119260
  C        24.8765183230       10.8076073435       10.1195981280
  C        23.7498719064       11.6282865334       10.0769786134
  H        25.0570880270       10.1375337195        9.2827719600
  H        23.0861934514       11.5885730589        9.2158326452
  N        12.9815664994       21.8158583273        0.5299442341
  C        12.4564000548       22.5389804659       10.4588067112
  C        11.2070140000       23.2642710810       10.6850600979
  C        10.4417959608       23.0785095707        0.9896202979
  C        10.7212515985       24.1555238792        9.7030487103
  C         1.0965770298       29.0959119020       10.8035128517
  C         3.5302007407       28.5286765607       10.6345101856
  C         2.4231757203       29.5073039160       10.7247980518
  C         5.8076137538       26.8401118944       10.5152374871
  C         2.7998245022       30.8432987887       10.7533304752
  C         0.6809385285       27.7161365228       10.8186339535
  C         4.1649051532       31.2654526880       10.7784518414
  H        12.8922214084       22.6289913075        9.4512631529
  H        10.8003119027       22.3809475960        1.7421296775
  H        11.3070240492       24.3332998231        8.8036885979
  H         1.3646702081       26.8766563582       10.7668349141
  N        19.9626362910       17.9537296368        0.0006479021
  N        19.9630387144       13.9844826756        0.0005799601
  N        -0.0007025878       29.9427924585       -0.0000862851
  N         0.0005504293        1.9955377615        0.0000124457
  N        18.0175376071       15.9677488573       -0.0023639921
  N        21.9080030699       15.9704661568       -0.0004451133
  N         1.9536767824        0.0001832768       -0.0011629813
  N        37.9748632838        0.0002362194        0.0011110971
 Co        19.9630107957       15.9692105287        0.0005124197
 Co         0.0003296131       -0.0000714378       -0.0002658299
  C        14.4786895086       11.7385240378        4.0271533977
  C        15.6022055813       12.5540228294        4.0751794439
  H        13.8040504320       11.7851503876        3.1785789321
  H        15.8159775089       13.2439311500        3.2648501890
  C        35.0062751281       26.7789865168        4.6844322136
  C        36.1302986909       27.6033236484        4.6359266342
  H        34.8322494231       26.0967321618        3.8547863818
  H        36.8048360854       27.5551535826        3.7810299596
  N         6.9792991956        5.8566542245        5.9683385551
  C         7.5051633754        6.5713025076        5.0255199171
  C         8.7542071381        7.2959436883        5.2528672546
  C         9.5200569973        7.1115225966        6.4228026677
  C         9.2405730811        8.1853574964        4.2699458626
  C        18.8678044295       13.1231532218        5.3622275137
  C        16.4546393257       12.5334144365        5.1871114488
  C        17.5421989049       13.5332171106        5.2938654150
  C        14.1616894466       10.8625124571        5.0823829491
  C        17.1600138967       14.8729539848        5.3508788639
  C        19.2837694493       11.7464739978        5.3792647317
  C        15.7819300929       15.2921462429        5.3864780934
  H         7.0724568681        6.6531495961        4.0162904548
  H         9.1624953605        6.4119649233        7.1745332895
  H         8.6553121836        8.3625221824        3.3700599009
  H        18.5998548342       10.9080044305        5.3266295209
  C        25.4472623863       20.2024017621        4.0270992936
  C        24.3236084187       19.3868159089        4.0751359627
  H        26.1222559674       20.1551725618        3.1781307352
  H        24.1098960754       18.6962827800        3.2646367433
  C         4.9189664482        5.1616087462        4.6848626791
  C         3.7962133946        4.3378231378        4.6365255254
  H         5.0934303373        5.8427973605        3.8564057729
  H         3.1226697091        4.3855526367        3.7827267294
  N        32.9458665040       26.0854478763        5.9699192593
  C        32.4204528584       25.3698661740        5.0251730597
  C        31.1717639148       24.6456664998        5.2527287631
  C        30.4060387465       24.8310406915        6.4229949732
  C        30.6854084738       23.7556705338        4.2696906871
  C        21.0581328980       18.8186380733        5.3622358778
  C        23.4712344084       19.4082384589        5.1871996382
  C        22.3837909024       18.4086183601        5.2939080075
  C        25.7643501394       21.0791223211        5.0823436072
  C        22.7659639815       17.0688316481        5.3508891496
  C        20.6422096874       20.1953801913        5.3792753015
  C        24.1441110135       16.6498430675        5.3864644017
  H        32.8542411525       25.2876841337        4.0147526249
  H        30.7640577955       25.5320882772        7.1755219823
  H        31.2712978050       23.5777203056        3.3690553731
  H        21.3262798045       21.0339304516        5.3266200595
  C        25.4477563553       11.7394871844        6.8390088227
  C        24.3240754074       12.5550879337        6.7909318596
  H        26.1226857420       11.7867738312        7.6880238797
  H        24.1105669468       13.2456455535        7.6014836444
  C         4.9182681674       26.7801037583        6.1812352580
  C         3.7953406282       27.6041265114        6.2294643747
  H         5.0924935792       26.0990486854        7.0098236168
  H         3.1215833507       27.5563092181        7.0832816988
  N        32.9468869399        5.8563769803        4.8962287061
  C        32.4213607025        6.5719678342        5.8408958859
  C        31.1726040420        7.2961963175        5.6133768450
  C        30.4067841816        7.1108687110        4.4431513553
  C        30.6862384678        8.1861899611        6.5964390588
  C        21.0584004610       13.1232157888        5.5035859101
  C        23.4715987196       12.5336433969        5.6789122103
  C        22.3840671799       13.5332183731        5.5720029267
  C        25.7648401476       10.8627502739        5.7837684918
  C        22.7660799699       14.8730473072        5.5148810689
  C        20.6424292396       11.7465018175        5.4868628749
  C        24.1441710955       15.2921925755        5.4795204322
  H        32.8551236281        6.6541809775        6.8513628463
  H        30.7647303177        6.4098659551        3.6905794525
  H        31.2720801383        8.3641644401        7.4970740416
  H        21.3265395532       10.9080142114        5.5396693240
  C        14.4783422622       20.2033268373        6.8389394420
  C        15.6018581220       19.3878101851        6.7909047564
  H        13.8037992298       20.1566535177        7.6875996315
  H        15.8154980780       18.6978990405        7.6012599461
  C        35.0076226176        5.1626774858        6.1817716038
  C        36.1316111813        4.3385774096        6.2304028154
  H        34.8334149258        5.8450443250        7.0113480047
  H        36.8058964560        4.3867768788        7.0853126854
  N         6.9784614831       26.0851811385        4.8977937162
  C         7.5043424985       25.3705194565        5.8406716588
  C         8.7534093205       24.6459112662        5.6132826696
  C         9.5192567538       24.8302983038        4.4433367979
  C         9.2398827250       23.7565179943        6.5961719015
  C        18.8675438833       18.8187161915        5.5036007889
  C        16.4543142831       19.4084581367        5.6789824616
  C        17.5419145880       18.4086928316        5.5720188542
  C        14.1612023858       21.0793588118        5.7837415307
  C        17.1599059052       17.0689098615        5.5148639283
  C        19.2835448066       20.1953867507        5.4868728490
  C        15.7818796856       16.6495631965        5.4795084205
  H         7.0716491736       25.2886717254        6.8499018918
  H         9.1616401380       25.5298530934        3.6915838929
  H         8.6546709852       23.5793153032        7.4961160756
  H        18.5995834268       21.0338060341        5.5396477996
  C         5.5020023902        4.2127196770        6.8299883740
  C         4.3931217068        3.3775222509        6.7709230608
  H         6.1653334222        4.1808649226        7.6869699513
  H         4.1707240171        2.6982684037        7.5878560972
  C        24.8761332480       21.1364927159        6.1797832642
  C        23.7493131289       20.3161700339        6.2219424728
  H        25.0566438871       21.8076079648        7.0160112408
  H        23.0845432348       20.3555753064        7.0822538200
  N        12.9821212318       10.1237297361        4.9028065999
  C        12.4569302684        9.4043836900        5.8403269824
  C        11.2074804576        8.6793212009        5.6141838376
  C        10.4423770373        8.8614527508        4.4435103962
  C        10.7217468614        7.7880004954        6.5961801824
  C         1.0967523148        2.8479607199        5.4953483036
  C         3.5310247184        3.4155175196        5.6648726124
  C         2.4237079883        2.4357415893        5.5737169639
  C         5.8083474873        5.1034277850        5.7838753853
  C         2.8078007823        1.1016175375        5.5464636840
  C         0.6821164891        4.2290379391        5.4808713288
  C         4.1622073335        0.6680054480        5.5187321299
  H        12.8929767508        9.3143707699        6.8479289233
  H        10.8008997482        9.5592142071        3.6911346728
  H        11.3077639190        7.6100928918        7.4953718535
  H         1.3671540745        5.0677334405        5.5328177618
  C        34.4235474768       27.7293495832        6.8305976463
  C        35.5331399562       28.5648954903        6.7722059972
  H        33.7589816886       27.7627262089        7.6891957749
  H        35.7558065939       29.2476878602        7.5904085482
  C        15.0498612140       10.8059218999        6.1796971289
  C        16.1765448156       11.6261081812        6.2219585103
  H        14.8695189814       10.1356607580        7.0156511938
  H        16.8413262550       11.5874341193        7.0819818019
  N        26.9439408732       21.8175816239        4.9022021319
  C        27.4690114261       22.5377684661        5.8403324608
  C        28.7182481189       23.2625403982        5.6142167834
  C        29.4832381648       23.0795367575        4.4433753707
  C        29.2039116956       24.1543963949        6.5963100627
  C        38.8312073390       29.0929991065        5.4946202076
  C        36.3960459400       28.5259995507        5.6651681505
  C        37.5037778990       29.5043824149        5.5764761118
  C        34.1169583165       26.8380641531        5.7834365240
  C        37.1233615473       30.8421360292        5.5452402398
  C        39.2447230416       27.7123217991        5.4796008921
  C        35.7521236989       31.2638524999        5.5219007356
  H        27.0327462766       22.6285156768        6.8486392363
  H        29.1247316365       22.3808565570        3.6904817446
  H        28.6177005587       24.3334159562        7.4963008457
  H        38.5582207829       26.8733025382        5.5323773813
  C        34.4243035216        4.2124787402        4.0357466735
  C        35.5340064867        3.3766130802        4.0945043684
  H        33.7601233166        4.1790409918        3.1768884740
  H        35.7571376618        2.6943337620        3.2754838885
  C        15.0493900712       21.1359442945        4.6864403855
  C        16.1761185272       20.3158011598        4.6442068388
  H        14.8690107616       21.8061541834        3.8504337800
  H        16.8408369587       20.3545810027        3.7841314362
  N        26.9445035794       10.1243029062        5.9638739657
  C        27.4696051468        9.4041162480        5.0257973253
  C        28.7189539386        8.6793329974        5.2519486813
  C        29.4840339115        8.8622940451        6.4227461438
  C        29.2046167139        7.7874788657        4.2698324037
  C        38.8326977799        2.8484080230        5.3700558756
  C        36.3971944928        3.4153959211        5.2019575118
  C        37.5050747154        2.4379025040        5.2917313035
  C        34.1179641689        5.1038196365        5.0827351219
  C        37.1237810812        1.0999533823        5.3182666006
  C        39.2463339437        4.2294629191        5.3854539357
  C        35.7548510910        0.6780434331        5.3459431726
  H        27.0333505691        9.3133326937        4.0175037668
  H        29.1255641374        9.5609256061        7.1756746493
  H        28.6184299304        7.6084472794        3.3698346016
  H        38.5594569030        5.0681728453        5.3338621261
  C         5.5007480697       27.7289838851        4.0359284997
  C         4.3918662909       28.5637832363        4.0946206789
  H         6.1643434446       27.7609499885        3.1790649968
  H         4.1698196219       29.2437492228        3.2783110203
  C        24.8765602552       10.8053797572        4.6863625104
  C        23.7496815329       11.6256368061        4.6442129917
  H        25.0570105832       10.1343413329        3.8500873683
  H        23.0849197284       11.5861567070        3.7839070124
  N        12.9816022434       21.8181264793        5.9633307298
  C        12.4562841582       22.5374769379        5.0258362105
  C        11.2068241810       23.2625345483        5.2519402409
  C        10.4417182634       23.0804470401        6.4226276617
  C        10.7209675289       24.1538277882        4.2699657343
  C         1.0954636511       29.0935333278        5.3703621761
  C         3.5298981677       28.5257990331        5.2003205307
  C         2.4227763340       29.5066870686        5.2894528242
  C         5.8073936333       26.8383967832        5.0823339373
  C         2.8049053343       30.8403079247        5.3209247832
  C         0.6812862889       27.7127671185        5.3863914983
  C         4.1632430506       31.2742609691        5.3465409107
  H        12.8922788334       22.6275177413        4.0181831992
  H        10.8002503724       22.3827144670        7.1750384607
  H        11.3069001775       24.3317917769        3.3707200567
  H         1.3660826283       26.8737400700        5.3340974055
  N        19.9628159870       17.9658707408        5.4328835106
  N        19.9630727844       13.9759874863        5.4328163098
  N         0.0000277134       29.9461694989        5.4323697550
  N         0.0011965585        1.9950267117        5.4323672795
  N        18.0105463443       15.9709649461        5.4328182712
  N        21.9153598143       15.9708986322        5.4328406434
  N         1.9472990656        0.0003559902        5.4395298953
  N        37.9876779926        0.0001639045        5.4250563603
 Co        19.9630327046       15.9709369303        5.4327794739
 Co         0.0006852726        0.0026327396        5.4329954155
  H        24.9744174309       17.3313867692       10.7883306989
  H        24.9746513208       14.6075462564        0.0779252798
  H        14.9522972554       14.6144327192       10.7885948598
  H        14.9514815106       17.3303853266        0.0784290318
  H        14.9395268056       17.3281125026        5.5122550631
  H        14.9395853912       14.6135777581        5.3538778289
  H        24.9869243256       14.6135504397        5.5122453059
  H        24.9868583381       17.3285240432        5.3538509138
     412
 i =       16, E =     -2345.6341775413
  C        14.4721963256       11.7409771261        9.4811882515
  C        15.5942742654       12.5552776579        9.5327115867
  H        13.7868004146       11.7774663948        8.6382007101
  H        15.8062147527       13.2467672693        8.7237654492
  C        34.9917397760       26.7732174264       10.1425544546
  C        36.1146465039       27.6001677737       10.0932597274
  H        34.8112475794       26.0833730649        9.3169836293
  H        36.7930652261       27.5567367099        9.2385655849
  N         6.9769500898        5.8554041364        0.5398487853
  C         7.5048874004        6.5704067771       10.4863561119
  C         8.7524878185        7.2971341676       10.7103639488
  C         9.5215842616        7.1065258309        0.9872741390
  C         9.2344714098        8.1885445633        9.7298862360
  C        18.8612809214       13.1338882243       10.8201360087
  C        16.4483592576       12.5318274432       10.6434316849
  C        17.5334155372       13.5371215644       10.7512812343
  C        14.1581597138       10.8616226428       10.5346233416
  C        17.1563484927       14.8762987925       10.8088489086
  C        19.2772563547       11.7605608292       10.8359765861
  C        15.7811595058       15.2967250368       10.8429637184
  H         7.0723914219        6.6545070270        9.4769183439
  H         9.1539235993        6.4024842171        1.7306501280
  H         8.6459875511        8.3605724056        8.8297695279
  H        18.6045916244       10.9178985821       10.7755721003
  C        25.4390578205       20.2022095790        9.4809650018
  C        24.3166316955       19.3877316068        9.5325544671
  H        26.1244402233       20.1652150793        8.6380171137
  H        24.1047287386       18.6960015812        8.7239538630
  C         4.9195938551        5.1695575773       10.1440675059
  C         3.7973624836        4.3426859145       10.0946726187
  H         5.0997630370        5.8589882730        9.3180800936
  H         3.1191340370        4.3863165957        9.2404392910
  N        32.9322777044       26.0814040921        0.5398793750
  C        32.4070418389       25.3737537747       10.4863124908
  C        31.1583037323       24.6462387587       10.7100811576
  C        30.3892644736       24.8323875421        0.9883072711
  C        30.6768422705       23.7544020551        9.7289301560
  C        21.0496151223       18.8100520146       10.8203533715
  C        23.4626052002       19.4121080081       10.6437737440
  C        22.3772497280       18.4067531909       10.7516062800
  C        25.7528174521       21.0818076691       10.5342699984
  C        22.7544458569       17.0675312253       10.8084386085
  C        20.6337711559       20.1834652533       10.8358505188
  C        24.1301359967       16.6472279144       10.8428421982
  H        32.8392697403       25.2887877744        9.4759720061
  H        30.7571196408       25.5369592676        1.7312299979
  H        31.2656066080       23.5820741585        8.8290648929
  H        21.3064955920       21.0260124298       10.7756592152
  C        25.4394826577       11.7380019606        1.4095215847
  C        24.3169895683       12.5521943493        1.3583353669
  H        26.1250121632       11.7751346561        2.2523280828
  H        24.1050810294       13.2440815806        2.1667552998
  C         4.9184021743       26.7714800603        0.7461160223
  C         3.7961571843       27.5980295320        0.7955084895
  H         5.0987649516       26.0818071729        1.5721641306
  H         3.1180627870       27.5545112820        1.6500471340
  N        32.9331448992        5.8594177422       10.3500670832
  C        32.4076128512        6.5671338060        0.4036819666
  C        31.1588421899        7.2946342650        0.1798977762
  C        30.3900163359        7.1085303216        9.9017348803
  C        30.6773229147        8.1864562522        1.1610219293
  C        21.0509802754       13.1307358659        0.0719204402
  C        23.4636645278       12.5284536762        0.2467611630
  C        22.3784192773       13.5341001808        0.1389721421
  C        25.7533555187       10.8589501645        0.3557963978
  C        22.7542459920       14.8734761570        0.0791040496
  C        20.6364346282       11.7571959817        0.0551431776
  C        24.1300897416       15.2919252978        0.0453912122
  H        32.8398683951        6.6521301937        1.4140175599
  H        30.7578223823        6.4039369081        9.1587452449
  H        31.2661038162        8.3588156985        2.0609368919
  H        21.3104755184       10.9151430822        0.1135855560
  C        14.4715619572       20.2005758505        1.4093175144
  C        15.5937840673       19.3865725407        1.3581214881
  H        13.7860222069       20.1639240082        2.2522400151
  H        15.8057670249       18.6949140951        2.1669063304
  C        34.9922476093        5.1677982299        0.7473005256
  C        36.1152873386        4.3405575695        0.7965949218
  H        34.8119777930        5.8575481486        1.5731067977
  H        36.7939035087        4.3841950213        1.6512856337
  N         6.9763078365       26.0855215307       10.3499549377
  C         7.5040907788       25.3704184802        0.4036508041
  C         8.7516644361       24.6437435568        0.1796177314
  C         9.5210332022       24.8343453383        9.9026719359
  C         9.2336921762       23.7523506172        1.1601433295
  C        18.8595317129       18.8072996482        0.0709472301
  C        16.4471182856       19.4093515749        0.2469551588
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  C        11.2013972917       23.2622967931       10.7097360963
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  C         3.5320726976       28.5257724658       10.6583859750
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  H        11.3092473400       24.3295063745        8.8303457342
  H         1.3547178617       26.8744239639       10.7872010538
  N        19.9544093397       17.9570117577        0.0010406576
  N        19.9561816551       13.9809846189        0.0005468877
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  N        37.9687875456        0.0013162920        0.0031740197
 Co        19.9554614309       15.9691745988        0.0002596947
 Co         0.0020687592       -0.0006413035        0.0003803738
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  H        15.8055829567       13.2467150845        3.2801420540
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  C        36.1148199153       27.5976219407        4.6463653626
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  H        36.7950968006       27.5554587190        3.7916012645
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  H         8.6454801388        8.3590268573        3.3847037393
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  C        31.1580790827       24.6444925351        5.2651083470
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  C        22.7615297920       17.0670176624        5.3641318531
  C        20.6353121566       20.1911954942        5.3915363076
  C        24.1364057623       16.6473246908        5.3980052417
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  H        21.3072860480       21.0339844747        5.3334103559
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  H        18.6035016524       21.0340034538        5.5567229204
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  H        23.0748786633       20.3540777413        7.0903604091
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  H        35.7346509166       29.2583133028        7.5997759494
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  H        16.8357777378       11.5875785931        7.0902059310
  N        26.9342633292       21.8183788236        4.9083437209
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  C        28.7089995921       23.2611623483        5.6252539115
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  H        38.5526977058       26.8705924911        5.5475740730
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  C        35.5176390159        3.3743023535        4.1036512735
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  H        35.7359577338        2.6828652729        3.2898125321
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  C        16.1668463145       20.3196914138        4.6562636092
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  H        16.8354460161       20.3534409563        3.7997436543
  N        26.9346783668       10.1225479067        5.9816207922
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  C        28.7095692939        8.6797157852        5.2647606782
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  C        37.1143156385        1.1005075942        5.3324140795
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  H        28.6010252734        7.6112249254        3.3847586641
  H        38.5536975585        5.0700747894        5.3422874455
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  C         4.3932448270       28.5640501997        4.1053149853
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  H         4.1762767472       29.2543621716        3.2929893138
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  C        23.7437572276       11.6209359214        4.6562737392
  H        25.0560173641       10.1208747889        3.8682584147
  H        23.0752209556       11.5866397320        3.7996867179
  N        12.9766827175       21.8182313558        5.9819419667
  C        12.4506545012       22.5347007698        5.0399034787
  C        11.2010638606       23.2611349667        5.2648157146
  C        10.4326761294       23.0760764264        6.4320822457
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  C         3.5304644407       28.5223284579        5.2112231707
  C         2.4277738025       29.4997995262        5.2990280951
  C         5.8052363941       26.8371769122        5.0901805359
  C         2.8003911158       30.8382428574        5.3363068141
  C         0.6792281022       27.7142387074        5.3996807102
  C         4.1528902007       31.2714061366        5.3605232947
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  H        10.8014181855       22.3742846665        7.1765246694
  H        11.3092243856       24.3284238523        3.3853550404
  H         1.3571316764       26.8708591371        5.3427910770
  N        19.9552403486       17.9634607021        5.4449691417
  N        19.9554354952       13.9773840587        5.4446595466
  N         0.0016068277       29.9490822601        5.4448494312
  N         0.0018255505        1.9908287941        5.4444634769
  N        17.9992145800       15.9704473873        5.4448073215
  N        21.9115945679       15.9704188546        5.4447710775
  N         1.9529145312        0.0016218823        5.4576731375
  N        37.9656943446        0.0001111262        5.4283084133
 Co        19.9554211917       15.9704242720        5.4446411807
 Co         0.0033376137        0.0020754639        5.4468639015
  H        24.9682776081       17.3166668472       10.8127250826
  H        24.9681328927       14.6215786556        0.0769400485
  H        14.9430115041       14.6273244909       10.8131528017
  H        14.9428736258       17.3161467371        0.0777588841
  H        14.9300026683       17.3149042937        5.5235890908
  H        14.9300932941       14.6257739049        5.3664243645
  H        24.9811614558       14.6258236348        5.5235702084
  H        24.9810683821       17.3152639442        5.3664131161
     412
 i =       17, E =     -2345.6346715125
  C        14.4719668269       11.7414359170        9.4789792700
  C        15.5946408162       12.5577277307        9.5300069423
  H        13.7892068809       11.7787201614        8.6351123800
  H        15.8071710338       13.2483590814        8.7198595306
  C        34.9944892568       26.7764706420       10.1417038569
  C        36.1166229981       27.6029597511       10.0916457568
  H        34.8133134738       26.0884907710        9.3160183153
  H        36.7931534730       27.5608297920        9.2367872255
  N         6.9770604187        5.8552961885        0.5394339323
  C         7.5046768431        6.5704793625       10.4852434321
  C         8.7543505310        7.2976056096       10.7083972840
  C         9.5218162001        7.1067685321        0.9867431763
  C         9.2350494909        8.1903372218        9.7266234967
  C        18.8626670668       13.1360704902       10.8184624349
  C        16.4474355795       12.5318945558       10.6427828244
  C        17.5360876172       13.5387317357       10.7503128308
  C        14.1603868681       10.8621121734       10.5331544995
  C        17.1576684419       14.8777942089       10.8066280943
  C        19.2791122313       11.7608320718       10.8339346612
  C        15.7829648623       15.2976831146       10.8423287002
  H         7.0730276680        6.6546879019        9.4745152518
  H         9.1550193261        6.4041329257        1.7327228953
  H         8.6472073884        8.3597421431        8.8265696887
  H        18.6058604839       10.9183683715       10.7741260582
  C        25.4415984743       20.2051390946        9.4787939687
  C        24.3188108097       19.3889885147        9.5300782974
  H        26.1243158183       20.1676975531        8.6351269467
  H        24.1061884117       18.6981807407        8.7201667608
  C         4.9190682897        5.1698665842       10.1424563937
  C         3.7973586880        4.3429578755       10.0929456761
  H         5.1001501227        5.8576143830        9.3168722462
  H         3.1212970117        4.3857913464        9.2384165252
  N        32.9357273623       26.0883227055        0.5395779010
  C        32.4088926051       25.3760062423       10.4843276635
  C        31.1587509847       24.6489352926       10.7082695448
  C        30.3914439336       24.8377713891        0.9872930109
  C        30.6784359333       23.7560015361        9.7259920647
  C        21.0505429458       18.8109735772       10.8189202417
  C        23.4659710147       19.4150943137       10.6428968972
  C        22.3770501988       18.4082291897       10.7506520660
  C        25.7529515602       21.0845760863       10.5329878039
  C        22.7556091842       17.0690732689       10.8066318448
  C        20.6342839315       20.1861746687       10.8338407487
  C        24.1305962925       16.6491737707       10.8420850713
  H        32.8408416722       25.2922123644        9.4742412569
  H        30.7584359192       25.5407193082        1.7329229355
  H        31.2666179526       23.5866412332        8.8261787934
  H        21.3075584176       21.0285924874       10.7742094980
  C        25.4421596736       11.7397065187        1.4101525921
  C        24.3192571915       12.5556484356        1.3592288802
  H        26.1249804715       11.7772817645        2.2536939359
  H        24.1066182732       13.2465659187        2.1690411778
  C         4.9181526360       26.7756718812        0.7461568648
  C         3.7961844055       27.6023980168        0.7957403200
  H         5.0992420133       26.0877732889        1.5719616588
  H         3.1201835523       27.5596827515        1.6506919651
  N        32.9364708186        5.8571737801       10.3488780424
  C        32.4096518679        6.5694850905        0.4040978830
  C        31.1594417989        7.2965908302        0.1801880179
  C        30.3921088425        7.1077696504        9.9011768039
  C        30.6790498574        8.1895161486        1.1624473518
  C        21.0522518438       13.1343945817        0.0718409741
  C        23.4671162981       12.5302155192        0.2460445672
  C        22.3783476546       13.5373952901        0.1384085490
  C        25.7536384786       10.8608164058        0.3555479470
  C        22.7559408278       14.8761507233        0.0799189546
  C        20.6371134882       11.7590115102        0.0557015859
  C        24.1308962394       15.2946120661        0.0444907237
  H        32.8415403720        6.6533633655        1.4141930045
  H        30.7590639685        6.4048381971        9.1555325454
  H        31.2671929547        8.3589006161        2.0622672667
  H        21.3114244714       10.9173845322        0.1135136883
  C        14.4713955802       20.2047795496        1.4100050683
  C        15.5942659429       19.3887225795        1.3592417712
  H        13.7884716938       20.1673486675        2.2538320690
  H        15.8068059971       18.6979681752        2.1693282666
  C        34.9952973845        5.1691049606        0.7467337313
  C        36.1173991063        4.3424066091        0.7967014380
  H        34.8141474617        5.8570681499        1.5724804229
  H        36.7940100261        4.3847483791        1.6514237412
  N         6.9763647598       26.0902397050       10.3487981950
  C         7.5039825395       25.3749980945        0.4032263623
  C         8.7536358171       24.6479275363        0.1800540279
  C         9.5211352401       24.8387760261        9.9016309350
  C         9.2343660289       23.7552009464        1.1619097682
  C        18.8609388897       18.8098468629        0.0709679269
  C        16.4463585961       19.4138284031        0.2460508389
  C        17.5348984947       18.4067164488        0.1381744992
  C        14.1596778661       21.0835687873        0.3554026252
  C        17.1575257309       17.0679401251        0.0793954447
  C        19.2762873218       20.1852131347        0.0555437391
  C        15.7827038798       16.6496163855        0.0448338266
  H         7.0721609737       25.2908512905        1.4142837455
  H         9.1543134015       25.5415281769        9.1554547531
  H         8.6464196316       23.5857532911        2.0621745087
  H        18.6019812744       21.0269301723        0.1133968878
  C         5.5049904631        4.2104463697        1.3996137910
  C         4.3959491183        3.3745171728        1.3381561236
  H         6.1788958445        4.1844857796        2.2530680874
  H         4.1781440373        2.6858703732        2.1531097191
  C        24.8680163171       21.1457439489        0.7445565912
  C        23.7440273533       20.3231525906        0.7896364475
  H        25.0568307328       21.8201451358        1.5765780656
  H        23.0783745758       20.3563419352        1.6476721076
  N        12.9774107097       10.1245809769       10.3531012339
  C        12.4518602520        9.4061222379        0.4043757022
  C        11.2013531197        8.6795385776        0.1811637261
  C        10.4349271373        8.8681028679        9.9018062632
  C        10.7216027902        7.7848818346        1.1616978869
  C         1.0975400511        2.8454629976        0.0620747426
  C         3.5334665844        3.4176367135        0.2311768688
  C         2.4262327799        2.4407294415        0.1423896570
  C         5.8050215643        5.1040200245        0.3538160703
  C         2.8023027016        1.1038688130        0.1097148791
  C         0.6804006493        4.2234004608        0.0468199709
  C         4.1604307994        0.6753071625        0.0856029279
  H        12.8865962507        9.3126359573        1.4118698080
  H        10.8022669681        9.5677796488        9.1548967813
  H        11.3096070237        7.6137570507        2.0610387681
  H         1.3553061588        5.0672126854        0.1022719663
  C        34.4073613259       27.7343941704        1.4005047076
  C        35.5172768969       28.5708767444        1.3387684989
  H        33.7334829926       27.7604624988        2.2544922134
  H        35.7358542235       29.2595841443        2.1546763961
  C        15.0453023652       10.7985702573        0.7446074815
  C        16.1692482132       11.6212773339        0.7894447119
  H        14.8565025986       10.1242627383        1.5768285167
  H        16.8348299828       11.5881405110        1.6475932495
  N        26.9359794971       21.8221361070       10.3532032909
  C        27.4609540417       22.5380165620        0.4048030518
  C        28.7119495103       23.2646806260        0.1811599069
  C        29.4783820692       23.0783426170        9.9014249826
  C        29.1914259516       24.1596222417        1.1622540208
  C        38.8176318867       29.0987567456        0.0619863387
  C        36.3800739680       28.5262251749        0.2306501464
  C        37.4883106379       29.5032685948        0.1404022719
  C        34.1078617527       26.8400305811        0.3541103949
  C        37.1107171029       30.8399821376        0.1116751938
  C        39.2335226245       27.7203436258        0.0474823904
  C        35.7539217194       31.2684971695        0.0854994036
  H        27.0264673324       22.6316689289        1.4118083403
  H        29.1109994227       22.3785540723        9.1548351173
  H        28.6032496769       24.3309060311        2.0614007313
  H        38.5580535833       26.8767853005        0.1025123546
  C        34.4084795596        4.2112721000        9.4878469980
  C        35.5183312986        3.3749069295        9.5493157435
  H        33.7344823330        4.1849441485        8.6340479240
  H        35.7364631865        2.6856889967        8.7336775727
  C        15.0443299644       21.1467905716       10.1436794245
  C        16.1681304167       20.3238458698       10.0988914509
  H        14.8558681136       21.8212815407        9.3114092150
  H        16.8338710809       20.3566821283        9.2407564484
  N        26.9366106862       10.1232624835        0.5352343931
  C        27.4615445421        9.4074405244       10.4836560200
  C        28.7125487690        8.6808271783       10.7072776218
  C        29.4789807000        8.8671580251        0.9870195738
  C        29.1920805314        7.7858992371        9.7262233816
  C        38.8183679333        2.8468668340       10.8264183804
  C        36.3810144001        3.4193998714       10.6572626727
  C        37.4892704112        2.4420850259       10.7460890900
  C        34.1087469594        5.1054771361       10.5343160584
  C        37.1120826873        1.1053432634       10.7779093026
  C        39.2345101996        4.2251030616       10.8419639928
  C        35.7542800370        0.6764650911       10.8028347055
  H        27.0270109878        9.3137476553        9.4766568079
  H        29.1116237853        9.5669205668        1.7336502561
  H        28.6039199398        7.6145789839        8.8270948422
  H        38.5591766310        5.0686506982       10.7863712347
  C         5.5043677188       27.7352282894        9.4889300206
  C         4.3950497185       28.5713884473        9.5507091125
  H         6.1782249402       27.7610323593        8.6349312793
  H         4.1768281753       29.2594677789        8.7350485484
  C        24.8689342977       10.8000373938       10.1438023259
  C        23.7451543761       11.6228617999       10.0988435372
  H        25.0573648284       10.1255212034        9.3118054507
  H        23.0793516646       11.5899859481        9.2409032695
  N        12.9767061505       21.8210277744        0.5354819204
  C        12.4512880474       22.5394724595       10.4840334179
  C        11.2007609249       23.2659922753       10.7072788569
  C        10.4343280906       23.0774223965        0.9866969836
  C        10.7210215721       24.1606447753        9.7266832328
  C         1.0961052595       29.1001398792       10.8262593325
  C         3.5323515791       28.5281330103       10.6579771684
  C         2.4250791962       29.5046475839       10.7482262394
  C         5.8043252313       26.8414446606       10.5347135543
  C         2.8014847615       30.8415516058       10.7773358241
  C         0.6792187667       27.7220128377       10.8406629060
  C         4.1583543295       31.2701830340       10.8030636220
  H        12.8861387696       22.6329900834        9.4764283715
  H        10.8016715342       22.3776940550        1.7337647540
  H        11.3091013616       24.3318394008        8.8271787536
  H         1.3544055469       26.8781560889       10.7858149073
  N        19.9561550659       17.9571661112        0.0009104024
  N        19.9570968585       13.9871244085        0.0006364973
  N        -0.0003217827       29.9516679144       -0.0000332810
  N         0.0008100129        1.9928466955       -0.0000909504
  N        18.0085197010       15.9719524314       -0.0036992062
  N        21.9048918366       15.9723623539        0.0012180517
  N         1.9369514268        0.0011008669       -0.0045178905
  N        37.9746036066        0.0009754217        0.0036710927
 Co        19.9567134148       15.9722691429        0.0002461814
 Co         0.0023401571       -0.0005402281        0.0005629273
  C        14.4712010397       11.7400514841        4.0342865441
  C        15.5935112492       12.5567145882        4.0853815511
  H        13.7882426637       11.7776546668        3.1906124054
  H        15.8065835885       13.2491188227        3.2767744579
  C        34.9940501235       26.7751238146        4.6963251183
  C        36.1170766860       27.6014954003        4.6458223911
  H        34.8130225183       26.0864066177        3.8701902956
  H        36.7948145660       27.5603182696        3.7909523476
  N         6.9771448523        5.8563619253        5.9848000826
  C         7.5043921793        6.5696405275        5.0413088236
  C         8.7542398914        7.2970051854        5.2642227043
  C         9.5215326281        7.1071866188        6.4311674580
  C         9.2347381599        8.1896704908        4.2823322943
  C        18.8610804573       13.1309855245        5.3747975769
  C        16.4451460237       12.5315291610        5.1991283437
  C        17.5338263793       13.5366808046        5.3067037615
  C        14.1598581736       10.8611429944        5.0889296786
  C        17.1519684395       14.8756667300        5.3627977762
  C        19.2782945337       11.7517678222        5.3903227316
  C        15.7758442182       15.2941219276        5.3979999730
  H         7.0725281653        6.6536258292        4.0303015757
  H         9.1547556689        6.4044890456        7.1771360879
  H         8.6467905844        8.3590025618        3.3822815626
  H        18.6047731111       10.9080003499        5.3327069122
  C        25.4423666195       20.2051644931        4.0340968340
  C        24.3199620306       19.3886251968        4.0854118416
  H        26.1252986127       20.1674244108        3.1906498851
  H        24.1068211949       18.6960562581        3.2770364795
  C         4.9188767007        5.1693876621        4.6976709104
  C         3.7970343168        4.3429308042        4.6473897485
  H         5.0999899484        5.8572956723        3.8718769492
  H         3.1206294826        4.3847141161        3.7930534089
  N        32.9348847761       26.0881676286        5.9852614854
  C        32.4088730163       25.3752377971        5.0402350131
  C        31.1586647177       24.6480254818        5.2640016095
  C        30.3916471675       24.8386376473        6.4317390102
  C        30.6786092090       23.7552059271        4.2816258315
  C        21.0521206955       18.8145710788        5.3748063980
  C        23.4682648142       19.4141069255        5.1991876481
  C        22.3793637620       18.4089030559        5.3068960125
  C        25.7534808536       21.0841795216        5.0887477791
  C        22.7614459166       17.0699037253        5.3628772080
  C        20.6351147363       20.1938014037        5.3903198912
  C        24.1377784797       16.6513658412        5.3980396292
  H        32.8414765094       25.2918713301        4.0299229910
  H        30.7587393026       25.5417812915        7.1772801633
  H        31.2670434358       23.5859803699        3.3818992472
  H        21.3086750407       21.0375204661        5.3326778126
  C        25.4427019896       11.7403910193        6.8543078136
  C        24.3203094054       12.5569539350        6.8029715990
  H        26.1255683877       11.7781697236        7.6978074554
  H        24.1073291606       13.2495344217        7.6113715991
  C         4.9181462743       26.7761983619        6.1909639856
  C         3.7959645642       27.6030905595        6.2408310907
  H         5.0992472534       26.0877547705        7.0171102238
  H         3.1193660444       27.5607653955        7.0955473607
  N        32.9357206723        5.8574139736        4.9032255500
  C        32.4096102480        6.5702769121        5.8481996516
  C        31.1593740580        7.2974842234        5.6244328984
  C        30.3923206709        7.1068957501        4.4566993002
  C        30.6792593793        8.1902983932        6.6068119449
  C        21.0523318952       13.1309303163        5.5133741576
  C        23.4685694677       12.5314309409        5.6892232027
  C        22.3795935329       13.5365906742        5.5813283747
  C        25.7538911011       10.8613408366        5.7996869189
  C        22.7615417006       14.8756396403        5.5252820454
  C        20.6352778732       11.7517159156        5.4980935844
  C        24.1378295836       15.2943149995        5.4902379661
  H        32.8421411266        6.6536369369        6.8585445047
  H        30.7593595305        6.4037910221        3.7110950445
  H        31.2676368442        8.3595514510        7.5065862343
  H        21.3088270354       10.9080347900        5.5559565305
  C        14.4708303690       20.2054326909        6.8541648809
  C        15.5931743447       19.3887388378        6.8030222436
  H        13.7878658428       20.1677991712        7.6979434418
  H        15.8060769837       18.6962996813        7.6116838832
  C        34.9948638256        5.1706448146        6.1922216299
  C        36.1179127146        4.3445432626        6.2432612832
  H        34.8139958009        5.8589677618        7.0182992976
  H        36.7957290963        4.3852634947        7.0979609308
  N         6.9767645083       26.0890947429        4.9033626648
  C         7.5037817974       25.3757548077        5.8472449407
  C         8.7536114201       24.6484575803        5.6242720491
  C         9.5209182232       24.8382962958        4.4572317967
  C         9.2341143761       23.7558088852        6.6062118007
  C        18.8608774866       18.8145350443        5.5134352468
  C        16.4448827235       19.4139478669        5.6892750758
  C        17.5336102968       18.4088295409        5.5814967319
  C        14.1594345772       21.0843732783        5.7995253899
  C        17.1518703966       17.0698099172        5.5253300453
  C        19.2781081392       20.1937487360        5.4980872291
  C        15.7757891848       16.6512379552        5.4902569802
  H         7.0716100931       25.2918087506        6.8585409187
  H         9.1540374476       25.5411720414        3.7111013639
  H         8.6460013292       23.5864423072        7.5064273584
  H        18.6045610876       21.0375316462        5.5559145977
  C         5.5055129723        4.2103397335        6.8439592520
  C         4.3952341975        3.3743686141        6.7825779435
  H         6.1791490068        4.1848692594        7.6981145618
  H         4.1771915977        2.6861691525        7.5983905118
  C        24.8685783225       21.1470236330        6.1887955224
  C        23.7448260082       20.3242876930        6.2337704623
  H        25.0571483886       21.8219971670        7.0203985977
  H        23.0778031262       20.3570516629        7.0909542023
  N        12.9771269931       10.1234863272        4.9086077981
  C        12.4519495790        9.4064377439        5.8484960675
  C        11.2010409250        8.6798485026        5.6253524808
  C        10.4346470318        8.8674097110        4.4575649972
  C        10.7214127365        7.7851938168        6.6060200451
  C         1.0987242795        2.8437279592        5.5076876849
  C         3.5328709077        3.4196522337        5.6750731973
  C         2.4262912351        2.4441188564        5.5850568173
  C         5.8049024502        5.1044779167        5.7982841589
  C         2.7948531457        1.1044954406        5.5551492724
  C         0.6811079477        4.2249028874        5.4922181467
  C         4.1564733255        0.6700966903        5.5258174980
  H        12.8867782656        9.3128889138        6.8559596342
  H        10.8020615074        9.5672008275        3.7107479912
  H        11.3096239155        7.6140106989        7.5052739080
  H         1.3574934827        5.0695960229        5.5474314751
  C        34.4063507745       27.7345435738        6.8460309301
  C        35.5180197770       28.5709461810        6.7858665586
  H        33.7321141088       27.7612159997        7.7002511445
  H        35.7366164714       29.2628827674        7.6010167556
  C        15.0447083621       10.7985764448        6.1888783097
  C        16.1684272933       11.6214237002        6.2336394818
  H        14.8561204189       10.1236967349        7.0206900853
  H        16.8353537576       11.5887105228        7.0909525374
  N        26.9362279038       21.8218813597        4.9086543495
  C        27.4608237210       22.5390169395        5.8488863896
  C        28.7121698727       23.2656653591        5.6253519856
  C        29.4785432947       23.0776297795        4.4571656617
  C        29.1915545627       24.1605984632        6.6066002237
  C        38.8185165735       29.1007221062        5.5059324560
  C        36.3813582919       28.5242859078        5.6769497181
  C        37.4900573996       29.5015930563        5.5889366416
  C        34.1073439581       26.8404110776        5.7986389072
  C        37.1174886319       30.8425596439        5.5526795202
  C        39.2344854328       27.7194039054        5.4901089661
  C        35.7470703275       31.2725024848        5.5300271850
  H        27.0262667739       22.6327490616        6.8558690057
  H        29.1111480598       22.3777248443        3.7106890772
  H        28.6031662805       24.3319960346        7.5056388416
  H        38.5560153069       26.8755328269        5.5465294694
  C        34.4073526554        4.2105343185        4.0426519561
  C        35.5189936253        3.3739045220        4.1034095476
  H        33.7330925665        4.1842232890        3.1880669519
  H        35.7379958548        2.6830637048        3.2873517733
  C        15.0443436635       21.1469668497        4.6995615094
  C        16.1681384062       20.3241459556        4.6548103782
  H        14.8557637369       21.8218482346        3.8676443715
  H        16.8350744964       20.3569653497        3.7974496805
  N        26.9366790742       10.1236606702        5.9797521591
  C        27.4613750175        9.4065110691        5.0396003225
  C        28.7127511281        8.6798688627        5.2631239794
  C        29.4791670416        8.8678663272        6.4312991160
  C        29.1922000958        7.7849380062        4.2818822282
  C        38.8200871628        2.8441075369        5.3802562459
  C        36.3819098454        3.4207097861        5.2134102316
  C        37.4912460590        2.4438305214        5.3030066088
  C        34.1082226469        5.1050734620        5.0900144276
  C        37.1202135800        1.1022126562        5.3309211457
  C        39.2361132989        4.2258929658        5.3963579761
  C        35.7469675744        0.6733687625        5.3621376485
  H        27.0268504633        9.3127342912        4.0325809823
  H        29.1117994326        9.5677354811        7.1778356963
  H        28.6038632911        7.6135152860        3.3828181824
  H        38.5570684326        5.0697223203        5.3417158177
  C         5.5050036508       27.7344396539        4.0440351005
  C         4.3942822849       28.5700928958        4.1044724682
  H         6.1788189573       27.7605867215        3.1898308403
  H         4.1766454775       29.2602787967        3.2894192771
  C        24.8689624715       10.7984806516        4.6996766687
  C        23.7451804258       11.6211686949        4.6547372470
  H        25.0575199667       10.1235755243        3.8680244789
  H        23.0781917564       11.5883206167        3.7975615027
  N        12.9766431529       21.8219786132        5.9799910922
  C        12.4514832279       22.5390540034        5.0399675533
  C        11.2005664899       23.2656136583        5.2631239379
  C        10.4341320231       23.0780847228        6.4309471831
  C        10.7209020179       24.1602465682        4.2823774843
  C         1.0972790032       29.1020348696        5.3812007509
  C         3.5315161330       28.5253241922        5.2115686242
  C         2.4253404158       29.5017850397        5.2993047090
  C         5.8043799164       26.8407754654        5.0901946798
  C         2.7941432740       30.8416591551        5.3358896729
  C         0.6801039557       27.7206728716        5.3978026761
  C         4.1594934687       31.2747052233        5.3608827945
  H        12.8863133129       22.6326539325        4.0323590247
  H        10.8014906107       22.3782283769        7.1779168159
  H        11.3091399217       24.3315591042        3.3829531565
  H         1.3567633608       26.8755995272        5.3422337714
  N        19.9565098695       17.9633965050        5.4442135868
  N        19.9567116247       13.9821074549        5.4438513279
  N         0.0013550497       29.9587954037        5.4442958694
  N         0.0017884554        1.9862281954        5.4438014210
  N        18.0010599519       15.9727740525        5.4440408493
  N        21.9123477919       15.9727426256        5.4439766092
  N         1.9460292923        0.0006902853        5.4565290055
  N        37.9706616870       -0.0003001207        5.4272277653
 Co        19.9566321643       15.9727496037        5.4439314664
 Co         0.0037422623        0.0010423731        5.4463669598
  H        24.9713661640       17.3191167475       10.8110266613
  H        24.9710194325       14.6240893529        0.0769733890
  H        14.9421408411       14.6278274989       10.8115222383
  H        14.9424661299       17.3199966692        0.0778821846
  H        14.9305715617       17.3175743618        5.5228774908
  H        14.9306717647       14.6277612969        5.3655970443
  H        24.9829352096       14.6278895036        5.5228547766
  H        24.9828421229       17.3178543315        5.3655957503
     412
 i =       18, E =     -2345.6377020985
  C        14.4705049146       11.7418885078        9.4808389621
  C        15.5917053319       12.5593522520        9.5319294070
  H        13.7882193608       11.7780325210        8.6343384292
  H        15.8057315023       13.2501797354        8.7184497436
  C        34.9935703035       26.7760734560       10.1445414372
  C        36.1143882080       27.6023707221       10.0929823071
  H        34.8100345320       26.0904804874        9.3193316292
  H        36.7873000346       27.5632709060        9.2390847885
  N         6.9766739960        5.8557540752        0.5386094200
  C         7.5045872831        6.5704055662       10.4876140920
  C         8.7543939020        7.2973504023       10.7092365061
  C         9.5222435809        7.1048864897        0.9860725776
  C         9.2343995371        8.1925510681        9.7287728754
  C        18.8623818933       13.1380318448       10.8201155881
  C        16.4466044685       12.5335581666       10.6454591375
  C        17.5327381170       13.5374029404       10.7528392429
  C        14.1595116857       10.8603935671       10.5341009736
  C        17.1552126621       14.8787976831       10.8082098497
  C        19.2778342014       11.7620498817       10.8350861981
  C        15.7847562070       15.2956014577       10.8452738418
  H         7.0739003753        6.6544683881        9.4769869531
  H         9.1548718292        6.4052683023        1.7331854080
  H         8.6472719058        8.3576129419        8.8269429986
  H        18.6053963245       10.9168483983       10.7754305416
  C        25.4406834945       20.2063848635        9.4808614130
  C        24.3195284142       19.3891459025        9.5321395745
  H        26.1230497286       20.1703246975        8.6343380369
  H        24.1053347000       18.6983026274        8.7188054664
  C         4.9175433173        5.1719560246       10.1445078479
  C         3.7970559737        4.3452414065       10.0936628985
  H         5.1011858456        5.8575747997        9.3199454351
  H         3.1246199765        4.3851175823        9.2403820176
  N        32.9340289838       26.0924216637        0.5382380749
  C        32.4061642373       25.3772647234       10.4873263293
  C        31.1565980124       24.6505390753       10.7090000826
  C        30.3883681074       24.8435642895        0.9860456663
  C        30.6766277034       23.7555235821        9.7286508227
  C        21.0486748986       18.8102653645       10.8209495799
  C        23.4645418827       19.4146965597       10.6455150088
  C        22.3783768606       18.4108483966       10.7532605668
  C        25.7515888526       21.0876780975       10.5340184849
  C        22.7559872165       17.0693386607       10.8087132084
  C        20.6332610870       20.1861788621       10.8350495578
  C        24.1264506051       16.6525930110       10.8448169331
  H        32.8377534147       25.2941613815        9.4766982902
  H        30.7559043508       25.5434139857        1.7331995235
  H        31.2642131900       23.5906714658        8.8266548852
  H        21.3058263052       21.0314019645       10.7754828202
  C        25.4410846973       11.7413394478        1.4101121232
  C        24.3198164248       12.5584460954        1.3591540380
  H        26.1235778107       11.7774706317        2.2565148266
  H        24.1056159315       13.2492863635        2.1724618615
  C         4.9165479734       26.7762806323        0.7461553693
  C         3.7957303149       27.6028252839        0.7972386526
  H         5.1001161462       26.0907544224        1.5709024775
  H         3.1233809568       27.5632455282        1.6507498050
  N        32.9349722538        5.8559434251       10.3522351220
  C        32.4066633225        6.5711103698        0.4031064144
  C        31.1570425684        7.2978628003        0.1814775629
  C        30.3892082476        7.1048512072        9.9044310731
  C        30.6770409179        8.1928766493        1.1618108757
  C        21.0500511313       13.1378811627        0.0719900917
  C        23.4654683394       12.5336003889        0.2453833323
  C        22.3794004976       13.5376083702        0.1379508920
  C        25.7520561380       10.8605780506        0.3565611726
  C        22.7565732550       14.8782822057        0.0804706709
  C        20.6358241715       11.7620857843        0.0566157899
  C        24.1264452808       15.2943732438        0.0435957911
  H        32.8382617400        6.6542985888        1.4137632125
  H        30.7566831275        6.4050168968        9.1572744662
  H        31.2646193122        8.3577544298        2.0638075050
  H        21.3092010291       10.9175248451        0.1142920842
  C        14.4697335119       20.2072023673        1.4101937916
  C        15.5911267822       19.3899146787        1.3593050714
  H        13.7873800953       20.1709877969        2.2565987921
  H        15.8052251072       18.6990892401        2.1728048326
  C        34.9942149970        5.1722876299        0.7459734760
  C        36.1149682771        4.3457505395        0.7972808523
  H        34.8106618205        5.8579861790        1.5711745210
  H        36.7879730689        4.3851925774        1.6511730320
  N         6.9763049371       26.0925334781       10.3518157676
  C         7.5035691283       25.3780207366        0.4029253598
  C         8.7535267105       24.6510365187        0.1812272878
  C         9.5217719389       24.8435997749        9.9042364637
  C         9.2335268023       23.7558222814        1.1618862942
  C        18.8604568746       18.8109190794        0.0710195422
  C        16.4452563585       19.4149588810        0.2453500708
  C        17.5314015889       18.4110215043        0.1375114239
  C        14.1585897275       21.0881826798        0.3564982661
  C        17.1543658689       17.0703259468        0.0794938808
  C        19.2747994639       20.1867613509        0.0563046704
  C        15.7842997542       16.6542666193        0.0441110520
  H         7.0729295845       25.2939788986        1.4137015911
  H         9.1543787198       25.5432280313        9.1570658639
  H         8.6464044559       23.5907868123        2.0637403741
  H        18.6015455409       21.0312570254        0.1141909815
  C         5.5062036045        4.2100591068        1.4006951762
  C         4.3985370523        3.3725269500        1.3395867736
  H         6.1795838719        4.1845627050        2.2548816836
  H         4.1800045443        2.6846177089        2.1542584310
  C        24.8662013403       21.1509130036        0.7425678792
  C        23.7424993862       20.3279381816        0.7888180198
  H        25.0564685741       21.8243389992        1.5764033521
  H        23.0781558993       20.3591518156        1.6503114940
  N        12.9771923786       10.1249695234       10.3547153818
  C        12.4497162872        9.4054480907        0.4044431811
  C        11.2002183194        8.6805982526        0.1825190951
  C        10.4332433473        8.8706562807        9.9048517255
  C        10.7211915662        7.7836675230        1.1615501560
  C         1.0966613890        2.8453925763        0.0626061946
  C         3.5337494263        3.4198249232        0.2311450309
  C         2.4233898606        2.4448233847        0.1420051716
  C         5.8043615016        5.1060799504        0.3546831497
  C         2.7946291089        1.1014013834        0.1085065964
  C         0.6789351370        4.2233842134        0.0476703256
  C         4.1653094982        0.6826150990        0.0844836591
  H        12.8852647717        9.3131350590        1.4121273093
  H        10.8016069358        9.5677993837        9.1558731734
  H        11.3086683907        7.6164475192        2.0628922119
  H         1.3535538652        5.0674446320        0.1023978756
  C        34.4040983500       27.7391623143        1.4009974307
  C        35.5120101601       28.5766380221        1.3394342205
  H        33.7304471563       27.7642055889        2.2559375764
  H        35.7313509747       29.2640413805        2.1552672716
  C        15.0444759379       10.7975338416        0.7428804312
  C        16.1682126511       11.6207741373        0.7887311101
  H        14.8542492849       10.1240764010        1.5767177253
  H        16.8324317893       11.5893287779        1.6502635307
  N        26.9337542627       21.8230539879       10.3549459838
  C        27.4610329827       22.5433237786        0.4045034963
  C        28.7104300245       23.2681561056        0.1826577241
  C        29.4778708285       23.0775828467        9.9048912899
  C        29.1894648879       24.1649410994        1.1616653118
  C        38.8146764671       29.1038149935        0.0623736601
  C        36.3769128658       28.5286535813        0.2306463131
  C        37.4880916349       29.5038657899        0.1397292664
  C        34.1063623915       26.8427420810        0.3550333352
  C        37.1156820681       30.8467004123        0.1110918248
  C        39.2324442511       27.7253535215        0.0482956125
  C        35.7481829140       31.2656272707        0.0840763172
  H        27.0250205653       22.6352208590        1.4122053630
  H        29.1093556007       22.3803172646        9.1558632786
  H        28.6015967051       24.3320468995        2.0631429414
  H        38.5573148012       26.8811238139        0.1027717202
  C        34.4051964596        4.2095331300        9.4893823201
  C        35.5131648115        3.3720534128        9.5505442604
  H        33.7315338752        4.1840782479        8.6345624045
  H        35.7320346090        2.6840371524        8.7350872960
  C        15.0437412557       21.1507796095       10.1474464873
  C        16.1673113785       20.3272226444       10.1016417838
  H        14.8537470968       21.8242876681        9.3135853500
  H        16.8315706107       20.3583573311        9.2401306886
  N        26.9342020539       10.1252106353        0.5355319645
  C        27.4618267541        9.4050058275       10.4859493264
  C        28.7112558400        8.6802285930       10.7078070476
  C        29.4782588211        8.8708083116        0.9855880794
  C        29.1902859352        7.7834612169        9.7288230986
  C        38.8159728459        2.8445849456       10.8278354837
  C        36.3781510773        3.4198983986       10.6590907989
  C        37.4892002573        2.4445523665       10.7484364044
  C        34.1074096590        5.1057161487       10.5354139558
  C        37.1165600659        1.1019409275       10.7811976985
  C        39.2336561492        4.2229890059       10.8431499250
  C        35.7491583872        0.6821623831       10.8060706890
  H        27.0257423904        9.3130778882        9.4783036276
  H        29.1097949990        9.5680375805        1.7346305719
  H        28.6023922876        7.6163223202        8.8273715371
  H        38.5586518771        5.0671944195       10.7882885923
  C         5.5056265295       27.7387076353        9.4897690415
  C         4.3978363210       28.5763292370        9.5513508647
  H         6.1790235055       27.7638429177        8.6352204078
  H         4.1788296883       29.2635458084        8.7358976764
  C        24.8673094647       10.7976744317       10.1478303243
  C        23.7438360921       11.6209558566       10.1017108272
  H        25.0572277895       10.1242441896        9.3140010000
  H        23.0793457061       11.5900838935        9.2402856186
  N        12.9762493350       21.8235855045        0.5357807355
  C        12.4494154975       22.5430067452       10.4859931472
  C        11.1998535063       23.2678346805       10.7079391949
  C        10.4324623631       23.0777196691        0.9857331456
  C        10.7208213494       24.1647974971        9.7287662477
  C         1.0957538636       29.1030314589       10.8279967804
  C         3.5330848771       28.5287909930       10.6602341546
  C         2.4224566389       29.5037179996       10.7509030466
  C         5.8038709505       26.8423540238       10.5358562056
  C         2.7931398486       30.8474223134       10.7797752913
  C         0.6780766611       27.7248678311       10.8418306851
  C         4.1641764144       31.2656797757       10.8064140655
  H        12.8849732265       22.6353661541        9.4782770653
  H        10.8008476661       22.3806014039        1.7347612544
  H        11.3082898383       24.3320166798        8.8274204222
  H         1.3529085956       26.8808174892       10.7875591703
  N        19.9551404274       17.9555312939        0.0008824823
  N        19.9554798829       13.9932606435        0.0006683010
  N        -0.0003500046       29.9581655120        0.0000512104
  N         0.0007338026        1.9905847264       -0.0000664502
  N        18.0089768668       15.9737031141       -0.0043126956
  N        21.9018026087       15.9751260720        0.0018721479
  N         1.9339097238        0.0005850446       -0.0050483811
  N        37.9738812102        0.0004755176        0.0042686884
 Co        19.9553500663       15.9745257177        0.0002606185
 Co         0.0015919530       -0.0002676664        0.0004925794
  C        14.4696214043       11.7413990153        4.0350843472
  C        15.5902823586       12.5593840183        4.0866184740
  H        13.7870571794       11.7776917282        3.1888338917
  H        15.8049221390       13.2516369813        3.2741742135
  C        34.9932780847       26.7758591074        4.6984373174
  C        36.1147419895       27.6024148536        4.6472463108
  H        34.8095239885       26.0895780370        3.8729044135
  H        36.7881204935       27.5634745501        3.7927674239
  N         6.9765115114        5.8559667364        5.9849070549
  C         7.5041649683        6.5703065739        5.0429452563
  C         8.7540536100        7.2974919534        5.2640619344
  C         9.5220506843        7.1044833432        6.4314103776
  C         9.2339123276        8.1926881733        4.2834942997
  C        18.8609844939       13.1329914789        5.3756619295
  C        16.4441016836       12.5331045573        5.2005685108
  C        17.5311829610       13.5360404884        5.3082862242
  C        14.1589315702       10.8601311302        5.0886751660
  C        17.1502706025       14.8775041791        5.3635840999
  C        19.2751683271       11.7555597798        5.3903527444
  C        15.7768368866       15.2969191510        5.4001178657
  H         7.0734027798        6.6541415344        4.0320460522
  H         9.1547482347        6.4048561648        7.1786022819
  H         8.6467717794        8.3576921527        3.3816490338
  H        18.6043903341       10.9078849413        5.3330092904
  C        25.4413049692       20.2071509534        4.0351132815
  C        24.3207279207       19.3893769669        4.0867917995
  H        26.1239843246       20.1709678831        3.1888680212
  H        24.1059438805       18.6971182837        3.2745030973
  C         4.9169685095        5.1721722809        4.6990626132
  C         3.7968828988        4.3455469465        4.6478560025
  H         5.1009521858        5.8577474125        3.8742301631
  H         3.1244962706        4.3849499554        3.7943372260
  N        32.9336211053       26.0913593976        5.9846838998
  C        32.4059921769       25.3773868920        5.0425506116
  C        31.1564607504       24.6505020008        5.2637044822
  C        30.3886927354       24.8435873780        6.4313922223
  C        30.6766729113       23.7555333346        4.2833107290
  C        21.0498046818       18.8154363179        5.3757046693
  C        23.4668185638       19.4154539206        5.2005939344
  C        22.3797698951       18.4124686978        5.3084563895
  C        25.7519306553       21.0882214844        5.0885747600
  C        22.7607952998       17.0709369757        5.3637117789
  C        20.6356984554       20.1928403412        5.3903408461
  C        24.1341874783       16.6515385150        5.4001677383
  H        32.8381039416       25.2947257113        4.0317552347
  H        30.7562937413       25.5435653668        7.1784905242
  H        31.2644551022       23.5908198741        3.3813965559
  H        21.3066085397       21.0405482400        5.3329639940
  C        25.4417054606       11.7412812401        6.8553093582
  C        24.3211285247       12.5590862494        6.8036057703
  H        26.1243411505       11.7775103710        7.7015962416
  H        24.1065297825       13.2513660244        7.6159197328
  C         4.9163105236       26.7763093701        6.1917315333
  C         3.7957314394       27.6033332694        6.2423400693
  H         5.1002308588       26.0903501653        7.0166430395
  H         3.1233323910       27.5635142393        7.0961750675
  N        32.9344438246        5.8570517913        4.9057714025
  C        32.4067020024        6.5710488470        5.8479513179
  C        31.1571320923        7.2979115815        5.6267480703
  C        30.3892921119        7.1048292390        4.4590557000
  C        30.6773560184        8.1928607691        6.6071640739
  C        21.0500166521       13.1329497379        5.5145011896
  C        23.4671179569       12.5329707719        5.6898299927
  C        22.3799923120       13.5359143373        5.5818003523
  C        25.7523461744       10.8601884824        5.8018830258
  C        22.7608902089       14.8774934817        5.5264690520
  C        20.6358796937       11.7555684746        5.5000916320
  C        24.1342484408       15.2970162944        5.4901401994
  H        32.8388124788        6.6536594378        6.8587539578
  H        30.7568164148        6.4048884365        3.7119037787
  H        31.2651182140        8.3575889288        7.5090987932
  H        21.3067585458       10.9078718267        5.5576891024
  C        14.4693270328       20.2069515359        6.8554095492
  C        15.5900161603       19.3889409693        6.8038123254
  H        13.7868201035       20.1706470121        7.7016941484
  H        15.8045375230       18.6966645009        7.6162805243
  C        34.9940546970        5.1729306260        6.1921600922
  C        36.1154292170        4.3465514535        6.2439984163
  H        34.8104323210        5.8589177695        7.0178022482
  H        36.7891241249        4.3850946410        7.0983844852
  N         6.9762917891       26.0921717950        4.9054968181
  C         7.5035083741       25.3780358485        5.8476412025
  C         8.7535224384       24.6508205499        5.6264620563
  C         9.5214300521       24.8439311906        4.4589132665
  C         9.2333732030       23.7556046220        6.6071817744
  C        18.8607887732       18.8154069205        5.5146151496
  C        16.4438286751       19.4152742054        5.6898568602
  C        17.5309810057       18.4123468481        5.5819647680
  C        14.1585523204       21.0882570665        5.8018168005
  C        17.1501863782       17.0708617901        5.5265814894
  C        19.2749879118       20.1928670320        5.5000776881
  C        15.7767675442       16.6513431190        5.4901553555
  H         7.0726071885       25.2941878448        6.8586833725
  H         9.1540092478       25.5436299887        3.7117273306
  H         8.6461455253       23.5906479029        7.5089985011
  H        18.6042118572       21.0405182945        5.5576286354
  C         5.5062159213        4.2085238077        6.8455331760
  C         4.3974267843        3.3717731321        6.7837480583
  H         6.1796044808        4.1841024099        7.7005960877
  H         4.1793497637        2.6850668652        7.6002714525
  C        24.8669829282       21.1515537622        6.1877542511
  C        23.7436838321       20.3283330358        6.2341690093
  H        25.0569345906       21.8253273525        7.0211939199
  H        23.0777987808       20.3591417255        7.0946070780
  N        12.9767716214       10.1247099592        4.9091164110
  C        12.4497510638        9.4048626455        5.8495607335
  C        11.2000996101        8.6801053569        5.6277177162
  C        10.4328405066        8.8707936236        4.4596149264
  C        10.7211373907        7.7831329719        6.6068407182
  C         1.0963398809        2.8438213214        5.5096440213
  C         3.5346413008        3.4207722838        5.6761143879
  C         2.4210149714        2.4441655178        5.5854496671
  C         5.8040516438        5.1055178056        5.8003267503
  C         2.7950173757        1.1037235097        5.5557594225
  C         0.6803856089        4.2214886256        5.4943180330
  C         4.1532403319        0.6696979591        5.5242944972
  H        12.8855502225        9.3125842562        6.8571682090
  H        10.8012777678        9.5680137775        3.7107229109
  H        11.3087768581        7.6158865549        7.5081301968
  H         1.3544549766        5.0671389342        5.5486346463
  C        34.4037298978       27.7389445577        6.8472575436
  C        35.5134122849       28.5755112794        6.7867267578
  H        33.7292316253       27.7640070548        7.7025127595
  H        35.7319194644       29.2655613874        7.6023139598
  C        15.0439193853       10.7965448353        6.1881062042
  C        16.1672664452       11.6200343783        6.2341478868
  H        14.8539604728       10.1227274174        7.0215583841
  H        16.8329846923       11.5889765021        7.0946471702
  N        26.9338832339       21.8236156723        4.9093307939
  C        27.4612054019       22.5435798290        5.8495523733
  C        28.7106775624       23.2682942920        5.6278666308
  C        29.4778987421       23.0776697859        4.4596306134
  C        29.1897045311       24.1651096244        6.6069647965
  C        38.8179536577       29.1047113865        5.5078613178
  C        36.3776121475       28.5259440121        5.6786575130
  C        37.4914909230       29.5048398849        5.5885157554
  C        34.1063774381       26.8423102387        5.8006215435
  C        37.1154424765       30.8453637326        5.5513214379
  C        39.2331898737       27.7264100549        5.4922854448
  C        35.7497084466       31.2759855872        5.5296857786
  H        27.0249583651       22.6354529162        6.8571882880
  H        29.1093628503       22.3803241016        3.7107288787
  H        28.6016509247       24.3323013825        7.5083699291
  H        38.5572727965       26.8811359118        5.5474870618
  C        34.4046278303        4.2090882889        4.0434723584
  C        35.5143942862        3.3723230932        4.1048012774
  H        33.7302195145        4.1842976729        3.1879415408
  H        35.7333004928        2.6831910695        3.2881568997
  C        15.0435249609       21.1519047984        4.7023351932
  C        16.1669502504       20.3284258719        4.6563118168
  H        14.8535559091       21.8256836618        3.8688378739
  H        16.8326389623       20.3595865858        3.7957988715
  N        26.9343603164       10.1248045134        5.9811092909
  C        27.4616858135        9.4048482717        5.0409331920
  C        28.7112507458        8.6801174225        5.2626388365
  C        29.4785403645        8.8707217494        6.4308673473
  C        29.1902705115        7.7833111152        4.2835299049
  C        38.8192554139        2.8429517835        5.3803718657
  C        36.3782569472        3.4215883231        5.2141670633
  C        37.4926629759        2.4432914742        5.3045660330
  C        34.1071121731        5.1059746492        5.0899183172
  C        37.1167149415        1.1026055860        5.3319549232
  C        39.2349373157        4.2216006924        5.3962490516
  C        35.7500137771        0.6731501014        5.3656737934
  H        27.0254753735        9.3129130506        4.0333012828
  H        29.1100760797        9.5680155983        7.1798120197
  H        28.6022362562        7.6160992097        3.3821169803
  H        38.5583472270        5.0669571482        5.3425848218
  C         5.5057369213       27.7391424643        4.0442300358
  C         4.3964865491       28.5756142045        4.1048688563
  H         6.1793891425       27.7641744940        3.1892520377
  H         4.1788527491       29.2642589378        3.2894019446
  C        24.8673171811       10.7968274124        4.7027311662
  C        23.7439892218       11.6200094168        4.6563547846
  H        25.0572249934       10.1231262032        3.8692623426
  H        23.0780935462       11.5891145624        3.7959288964
  N        12.9763312429       21.8236845873        5.9813962510
  C        12.4493418877       22.5434667356        5.0409505564
  C        11.1996334988       23.2682462244        5.2627734727
  C        10.4323885048       23.0775373825        6.4309974244
  C        10.7206006334       24.1652433511        4.2834961613
  C         1.0948193414       29.1048187193        5.3815521807
  C         3.5332355018       28.5268865904        5.2121570796
  C         2.4202706495       29.5058728493        5.3018720662
  C         5.8034959300       26.8425337019        5.0902388388
  C         2.7933120221       30.8452572005        5.3389149859
  C         0.6793718869       27.7272115358        5.3974743613
  C         4.1567896268       31.2779503406        5.3638191822
  H        12.8850289580       22.6358258746        4.0332423930
  H        10.8007983408       22.3803254578        7.1799255408
  H        11.3081984761       24.3325465275        3.3821858739
  H         1.3537417796       26.8810853833        5.3431836246
  N        19.9553122507       17.9609450895        5.4452873662
  N        19.9555052551       13.9874505910        5.4447766396
  N         0.0014008046       29.9650861323        5.4457084448
  N         0.0022863639        1.9828286414        5.4450987809
  N        18.0011203215       15.9742074582        5.4450651304
  N        21.9099487120       15.9741821977        5.4449564811
  N         1.9387581832       -0.0009478026        5.4583468950
  N        37.9725646602       -0.0017072875        5.4262135429
 Co        19.9554074971       15.9741900137        5.4449782645
 Co         0.0034798387        0.0002134614        5.4478414297
  H        24.9741265665       17.3201595555       10.8127449229
  H        24.9733932128       14.6261262525        0.0769329387
  H        14.9371172421       14.6279961952       10.8134638889
  H        14.9374055460       17.3224712690        0.0780982126
  H        14.9270885653       17.3190298236        5.5239550845
  H        14.9271746152       14.6291765302        5.3665322345
  H        24.9839545750       14.6293219204        5.5239329485
  H        24.9838545867       17.3193104164        5.3665429611
     412
 i =       19, E =     -2345.6408364049
  C        14.4716510314       11.7401032586        9.4807090593
  C        15.5909803154       12.5572123985        9.5301746956
  H        13.7892539236       11.7788736814        8.6339812339
  H        15.8073559341       13.2519712779        8.7171074421
  C        34.9957311771       26.7789667354       10.1437908583
  C        36.1154527998       27.6041701235       10.0926477101
  H        34.8125513676       26.0933995330        9.3213448321
  H        36.7888585334       27.5645565309        9.2399354534
  N         6.9771247479        5.8559751004        0.5388551151
  C         7.5046700343        6.5692904781       10.4879538277
  C         8.7553789303        7.2965962743       10.7076253047
  C         9.5225251417        7.1068211436        0.9873623135
  C         9.2363631383        8.1912555684        9.7274365490
  C        18.8659576578       13.1378890736       10.8195694078
  C        16.4457658682       12.5330681240       10.6448305306
  C        17.5348341577       13.5345600934       10.7523336923
  C        14.1601793312       10.8593322285       10.5347554008
  C        17.1590726572       14.8799601884       10.8071170708
  C        19.2780547992       11.7587264944       10.8343357316
  C        15.7822207960       15.2925879143       10.8444179489
  H         7.0735147535        6.6531339965        9.4757091703
  H         9.1559446786        6.4046498581        1.7339133147
  H         8.6465905346        8.3579222963        8.8256627535
  H        18.6050312253       10.9155790299       10.7748876417
  C        25.4416659628       20.2084573485        9.4807056670
  C        24.3223267045       19.3914655822        9.5302719669
  H        26.1238723350       20.1700728565        8.6342207027
  H        24.1058035041       18.6971988218        8.7176300583
  C         4.9175874268        5.1689411313       10.1441023882
  C         3.7979693134        4.3434231517       10.0934174106
  H         5.1008238104        5.8555698678        9.3211650290
  H         3.1245342548        4.3841724026        9.2404981559
  N        32.9355312381       26.0953038535        0.5373400723
  C        32.4087658595       25.3789317156       10.4882400568
  C        31.1575913289       24.6510509133       10.7073626057
  C        30.3902748322       24.8453267702        0.9875672292
  C        30.6767860250       23.7569189799        9.7271887360
  C        21.0472565246       18.8101468607       10.8204775247
  C        23.4674686105       19.4150984951       10.6449544925
  C        22.3782378735       18.4134184615       10.7527924283
  C        25.7529148853       21.0885072055       10.5345679395
  C        22.7541275352       17.0679909050       10.8078630723
  C        20.6351294166       20.1892815019       10.8343302373
  C        24.1311259387       16.6552993815       10.8439276356
  H        32.8398436623       25.2957596675        9.4760800803
  H        30.7567041311       25.5466540764        1.7333201502
  H        31.2665547581       23.5909769623        8.8259450752
  H        21.3081490729       21.0323709150       10.7749511184
  C        25.4420620151       11.7410615652        1.4095978192
  C        24.3226704826       12.5579304706        1.3603708544
  H        26.1244355001       11.7795114466        2.2560147148
  H        24.1061069493       13.2521961682        2.1729925551
  C         4.9166853022       26.7810683209        0.7459309727
  C         3.7968329493       27.6063716156        0.7968843199
  H         5.0998776229       26.0945399349        1.5690225660
  H         3.1234191799       27.5659454298        1.6500002083
  N        32.9363478352        5.8548347523       10.3524623465
  C        32.4092770230        6.5712425046        0.4015836907
  C        31.1580547868        7.2991342359        0.1824706940
  C        30.3910012425        7.1048747449        9.9022719391
  C        30.6772110765        8.1932592019        1.1626143311
  C        21.0484294802       13.1400346544        0.0717795580
  C        23.4683491666       12.5349990097        0.2453027073
  C        22.3792233997       13.5369171049        0.1378150043
  C        25.7534517892       10.8615012126        0.3553712269
  C        22.7545352025       14.8817627229        0.0808870838
  C        20.6374970941       11.7611684098        0.0567148798
  C        24.1308064297       15.2936938750        0.0437839886
  H        32.8403554868        6.6544843205        1.4137451430
  H        30.7573935965        6.4035457387        9.1564953076
  H        31.2669710262        8.3592342919        2.0638906254
  H        21.3116398931       10.9181715195        0.1141909363
  C        14.4709796454       20.2107626668        1.4096652127
  C        15.5904469411       19.3938205516        1.3604223462
  H        13.7884815129       20.1719219084        2.2563167614
  H        15.8069046605       18.6990711026        2.1734913977
  C        34.9963669986        5.1711447150        0.7460459022
  C        36.1160642020        4.3457025630        0.7969366901
  H        34.8131930582        5.8568236393        1.5685076118
  H        36.7895011918        4.3856591618        1.6496430326
  N         6.9766862504       26.0941227939       10.3509544333
  C         7.5037934961       25.3809004620        0.4019615741
  C         8.7546396455       24.6535709940        0.1821917509
  C         9.5220417953       24.8434341362        9.9023303096
  C         9.2355901290       23.7589073885        1.1625705031
  C        18.8643259468       18.8125960659        0.0709257827
  C        16.4445785848       19.4172267763        0.2453379541
  C        17.5337394552       18.4155928453        0.1373173513
  C        14.1593374004       21.0910494263        0.3552006227
  C        17.1585358991       17.0706610575        0.0797755237
  C        19.2753552470       20.1914649319        0.0563589736
  C        15.7821845283       16.6588259331        0.0443059469
  H         7.0726679593       25.2971042355        1.4142830428
  H         9.1554688927       25.5456031903        9.1557285812
  H         8.6458319167       23.5922668495        2.0643434043
  H        18.6011932299       21.0344985469        0.1140957729
  C         5.5062511802        4.2122790818        1.3991067551
  C         4.3995937335        3.3744478202        1.3390716586
  H         6.1794930518        4.1839191112        2.2544664580
  H         4.1793622202        2.6835560916        2.1543370633
  C        24.8671908997       21.1517840536        0.7430336743
  C        23.7444081726       20.3308616436        0.7896439014
  H        25.0570533278       21.8259662901        1.5750481746
  H        23.0785994458       20.3616200179        1.6505622727
  N        12.9777278360       10.1247664729       10.3535252118
  C        12.4500448856        9.4052896523        0.4051585159
  C        11.1999414553        8.6810617285        0.1832929632
  C        10.4340896022        8.8684399314        9.9031728032
  C        10.7204860291        7.7849542193        1.1622895702
  C         1.0951767739        2.8455655510        0.0624078999
  C         3.5342764023        3.4205072236        0.2309844346
  C         2.4215045543        2.4464371209        0.1418411749
  C         5.8047940353        5.1073747906        0.3530459819
  C         2.7970312362        1.1023311013        0.1090554507
  C         0.6781105890        4.2251221355        0.0477660135
  C         4.1668491817        0.6765531497        0.0831400855
  H        12.8865150104        9.3146413637        1.4118347170
  H        10.8015998431        9.5684120485        9.1543843803
  H        11.3102616359        7.6160471526        2.0633497491
  H         1.3555618876        5.0695521178        0.1023975042
  C        34.4061428766       27.7404447607        1.3996819813
  C        35.5130126591       28.5783855010        1.3394941239
  H        33.7334925242       27.7677662502        2.2544130197
  H        35.7338525989       29.2671582256        2.1541270101
  C        15.0456620306       10.8003567085        0.7431718935
  C        16.1684645005       11.6213670214        0.7896121609
  H        14.8557526417       10.1254917544        1.5756168635
  H        16.8342229869       11.5900747210        1.6506397003
  N        26.9355241998       21.8236033975       10.3543395589
  C        27.4625823123       22.5468502458        0.4049174898
  C        28.7129389489       23.2715260540        0.1834679795
  C        29.4791473597       23.0798132782        9.9030537078
  C        29.1923676180       24.1671995024        1.1625162825
  C        38.8180395165       29.1073963196        0.0621190604
  C        36.3782613459       28.5316306602        0.2304086577
  C        37.4922996260       29.5061944206        0.1395609495
  C        34.1081986344       26.8453752499        0.3536604461
  C        37.1147250291       30.8493581409        0.1118446050
  C        39.2351522891       27.7273079465        0.0483847819
  C        35.7496131478       31.2780747390        0.0822993662
  H        27.0260701097       22.6370099778        1.4115863166
  H        29.1115677101       22.3804386204        9.1547751800
  H        28.6024644024       24.3353912655        2.0630969789
  H        38.5578009389       26.8832048592        0.1027946188
  C        34.4071102820        4.2100390849        9.4900532537
  C        35.5140241283        3.3721227279        9.5498357603
  H        33.7344152721        4.1823220455        8.6353775682
  H        35.7344199755        2.6826930282        8.7355531379
  C        15.0449129922       21.1497040559       10.1465318809
  C        16.1674954036       20.3284101327       10.1000889400
  H        14.8552456809       21.8246571856        9.3140521900
  H        16.8333484596       20.3594004543        9.2391230033
  N        26.9359614402       10.1264920294        0.5355373634
  C        27.4632967603        9.4032345257       10.4848586614
  C        28.7136446226        8.6786465509       10.7063534890
  C        29.4795603794        8.8703555676        0.9867777358
  C        29.1930828906        7.7829937588        9.7273425148
  C        38.8192713988        2.8428132876       10.8273932950
  C        36.3793692645        3.4188491759       10.6586628075
  C        37.4931749186        2.4438618144       10.7479360665
  C        34.1091492611        5.1048792466       10.5362087674
  C        37.1158334121        1.1010310550       10.7800840581
  C        39.2361674774        4.2227402818       10.8423750483
  C        35.7501416998        0.6714383180       10.8070944506
  H        27.0267017188        9.3130704172        9.4782727318
  H        29.1120130266        9.5697076143        1.7350843590
  H        28.6031639325        7.6147567579        8.8267578088
  H        38.5589790639        5.0669211151       10.7876700097
  C         5.5056788389       27.7382612352        9.4907400954
  C         4.3989066486       28.5761899458        9.5512613466
  H         6.1788807819       27.7662950300        8.6350707588
  H         4.1782138904       29.2663928542        8.7351917921
  C        24.8681844086       10.7986181573       10.1467347015
  C        23.7456815481       11.6198211988       10.1002097614
  H        25.0577298176       10.1243719669        9.3146954699
  H        23.0796985239       11.5893839646        9.2393857255
  N        12.9769263667       21.8255409579        0.5363272022
  C        12.4496993083       22.5449707549       10.4845948388
  C        11.1995345649       23.2691565116       10.7065334261
  C        10.4334034227       23.0817330515        0.9867479980
  C        10.7200961248       24.1652909953        9.7273988195
  C         1.0944000952       29.1046748674       10.8276197181
  C         3.5336390355       28.5300352862       10.6597732025
  C         2.4204559948       29.5036930194       10.7504371486
  C         5.8043123837       26.8428648867       10.5367883466
  C         2.7960003131       30.8482884001       10.7782912690
  C         0.6771721044       27.7248659605       10.8411289486
  C         4.1653916946       31.2734471067       10.8072187712
  H        12.8861971651       22.6356372845        9.4779591374
  H        10.8009168845       22.3817935531        1.7355786197
  H        11.3098692657       24.3341948071        8.8263471092
  H         1.3548762670       26.8805301897       10.7868670888
  N        19.9559013000       17.9566642723        0.0007562617
  N        19.9569163382       13.9959519031        0.0007955976
  N        -0.0006008666       29.9646149023        0.0000737673
  N         0.0004093476        1.9879405228       -0.0000695366
  N        18.0109335521       15.9763514240       -0.0039948949
  N        21.9021501624       15.9762759097        0.0017250906
  N         1.9307554914        0.0007823908       -0.0051924042
  N        37.9794975748        0.0006770156        0.0044381701
 Co        19.9563955561       15.9764344418        0.0002243821
 Co         0.0011859332       -0.0003190758        0.0004959459
  C        14.4707482509       11.7407726360        4.0353298416
  C        15.5897483504       12.5585076983        4.0853082019
  H        13.7881330214       11.7795177796        3.1887391994
  H        15.8065363511       13.2543763066        3.2731342283
  C        34.9960368035       26.7802613238        4.6982027838
  C        36.1156652098       27.6052367613        4.6474647104
  H        34.8121735306       26.0939023690        3.8755662017
  H        36.7892909883       27.5658850311        3.7944180117
  N         6.9767342831        5.8550108711        5.9849748236
  C         7.5042076776        6.5702133942        5.0434980410
  C         8.7551372345        7.2977868699        5.2628344828
  C         9.5222720868        7.1053848409        6.4323229483
  C         9.2358665799        8.1923873746        4.2824952359
  C        18.8642111985       13.1339704365        5.3754417437
  C        16.4437760646       12.5332796308        5.2001357598
  C        17.5328949882       13.5351087474        5.3081036604
  C        14.1595792412       10.8600247139        5.0895401428
  C        17.1530997714       14.8785925794        5.3629328499
  C        19.2744504668       11.7538314285        5.3898564082
  C        15.7766751609       15.2959663280        5.3996929365
  H         7.0731191892        6.6538214222        4.0312232768
  H         9.1557968565        6.4032404315        7.1789835762
  H         8.6461589970        8.3590239675        3.3807278149
  H        18.6043542140       10.9079944405        5.3327956399
  C        25.4423852234       20.2101397503        4.0353385586
  C        24.3234105915       19.3925066563        4.0853803171
  H        26.1248392487       20.1717959214        3.1890075700
  H        24.1064892930       18.6971244123        3.2736255133
  C         4.9168801827        5.1700610243        4.6990586660
  C         3.7979392488        4.3448502584        4.6476958246
  H         5.1005833202        5.8566397304        3.8759119314
  H         3.1246207359        4.3850330516        3.7949285847
  N        32.9353769980       26.0933309638        5.9833539725
  C        32.4087918121       25.3802150056        5.0438477047
  C        31.1574347092       24.6520331175        5.2624344836
  C        30.3906042132       24.8443275333        6.4325196055
  C        30.6769160558       23.7580103966        4.2822060968
  C        21.0487582243       18.8162518180        5.3754980030
  C        23.4692986451       19.4172475491        5.2002326344
  C        22.3801278855       18.4151537435        5.3082719840
  C        25.7533449861       21.0901598046        5.0893320813
  C        22.7600547451       17.0717272324        5.3630601842
  C        20.6385751344       20.1964080962        5.3898358955
  C        24.1365438326       16.6542337758        5.3997524733
  H        32.8401176724       25.2973722074        4.0316444171
  H        30.7570257142       25.5457030916        7.1782424045
  H        31.2667847468       23.5921686133        3.3810525157
  H        21.3086640737       21.0421922976        5.3327534266
  C        25.4427304322       11.7400785327        6.8544294257
  C        24.3237744668       12.5577397339        6.8043732785
  H        26.1251468318       11.7784649972        7.7008186777
  H        24.1070282494       13.2531428679        7.6161554868
  C         4.9161748694       26.7802887920        6.1910653913
  C         3.7967996554       27.6056991176        6.2417924935
  H         5.0998624130       26.0933593579        7.0142392038
  H         3.1235588323       27.5652837067        7.0948243104
  N        32.9361355566        5.8568456039        4.9064336203
  C        32.4094322165        6.5700278100        5.8460508251
  C        31.1580523469        7.2981620868        5.6273662162
  C        30.3911608590        7.1058836156        4.4572979294
  C        30.6775313202        8.1921622200        6.6076077962
  C        21.0489518267       13.1339205392        5.5140485543
  C        23.4695715068       12.5329596998        5.6895544704
  C        22.3803389583       13.5350139365        5.5813510241
  C        25.7537365494       10.8600269200        5.8004782392
  C        22.7601459005       14.8784821414        5.5264530914
  C        20.6387297345       11.7537910373        5.4999640996
  C        24.1365892478       15.2961099277        5.4899240665
  H        32.8407588079        6.6527958119        6.8582182941
  H        30.7575307887        6.4045217287        3.7115013579
  H        31.2673869766        8.3580262096        7.5088122114
  H        21.3087888708       10.9080121040        5.5572544404
  C        14.4704572286       20.2093670448        6.8545157161
  C        15.5894750956       19.3916073164        6.8044773850
  H        13.7878955949       20.1706025654        7.7011406157
  H        15.8061391736       18.6957130355        7.6166716780
  C        34.9966065798        5.1703805187        6.1917140097
  C        36.1162504686        4.3453538878        6.2431569742
  H        34.8129703538        5.8564824304        7.0145516093
  H        36.7902386860        4.3845411894        7.0961893247
  N         6.9765200043       26.0949077568        4.9048590407
  C         7.5036061292       25.3799207205        5.8464147776
  C         8.7546583630       24.6523044251        5.6270543219
  C         9.5217142850       24.8448014879        4.4573789567
  C         9.2353608217       23.7576938526        6.6075262002
  C        18.8640214068       18.8162229985        5.5141732916
  C        16.4435176098       19.4168825436        5.6896462416
  C        17.5327110197       18.4150640523        5.5815132875
  C        14.1592298556       21.0901457624        5.8003084448
  C        17.1530154401       17.0715615916        5.5265731212
  C        19.2742979601       20.1963633437        5.4999419633
  C        15.7766196052       16.6540759315        5.4899479703
  H         7.0723779110       25.2962959448        6.8588200207
  H         9.1551543070       25.5469958967        3.7107379727
  H         8.6455710127       23.5911029638        7.5092468310
  H        18.6042059785       21.0421830815        5.5571966266
  C         5.5064927301        4.2098815486        6.8435243025
  C         4.3987672189        3.3725451496        6.7833615436
  H         6.1791467070        4.1823381328        7.6996116669
  H         4.1786754574        2.6830406553        7.6000163270
  C        24.8681017791       21.1513788821        6.1879278779
  C        23.7455212765       20.3300967455        6.2346604757
  H        25.0574500453       21.8260027733        7.0196042173
  H        23.0782096316       20.3605775824        7.0945989545
  N        12.9774234189       10.1255548151        4.9082352101
  C        12.4501060591        9.4037116490        5.8500216061
  C        11.1997304662        8.6795316979        5.6281268662
  C        10.4337508432        8.8696096175        4.4583005597
  C        10.7204293709        7.7834183678        6.6072253393
  C         1.0955160290        2.8417672024        5.5089714313
  C         3.5343827664        3.4197912718        5.6751674630
  C         2.4195504049        2.4479175309        5.5856475878
  C         5.8043908119        5.1057335534        5.7983587348
  C         2.7912289586        1.1026439708        5.5564148372
  C         0.6789559123        4.2226991587        5.4939047859
  C         4.1596957427        0.6560749216        5.5220549296
  H        12.8867197653        9.3130532586        6.8564948308
  H        10.8012838122        9.5696152843        3.7095929875
  H        11.3102974297        7.6144585632        7.5082330796
  H         1.3560267580        5.0676855696        5.5483097088
  C        34.4055222548       27.7390500205        6.8452193257
  C        35.5143850724       28.5765749301        6.7863199421
  H        33.7325619752       27.7665714391        7.7003875164
  H        35.7342492663       29.2671153207        7.6007073368
  C        15.0449042275       10.7983545131        6.1880994508
  C        16.1675149635       11.6197308098        6.2346796447
  H        14.8554634392       10.1230265677        7.0202259562
  H        16.8347443861       11.5886929562        7.0947681390
  N        26.9356202084       21.8251930993        4.9090461966
  C        27.4626314030       22.5460196089        5.8497153959
  C        28.7132348253       23.2706483945        5.6283003142
  C        29.4791921105       23.0809364115        4.4581632542
  C        29.1925431749       24.1663074409        6.6074544268
  C        38.8199122426       29.1088094402        5.5075050453
  C        36.3794245880       28.5284783094        5.6776776629
  C        37.4950064238       29.5037424071        5.5871586673
  C        34.1083862916       26.8441354759        5.7991872816
  C        37.1182675308       30.8471190329        5.5513800596
  C        39.2365003978       27.7269891534        5.4923785368
  C        35.7516336981       31.2977836211        5.5265711682
  H        27.0260193471       22.6362112959        6.8561810871
  H        29.1116293630       22.3815222949        3.7099996900
  H        28.6025231953       24.3346038256        7.5079657745
  H        38.5582883720       26.8827794074        5.5471752699
  C        34.4065872942        4.2106893191        4.0448595526
  C        35.5153985060        3.3731863994        4.1045231579
  H        33.7335766420        4.1835114352        3.1894611171
  H        35.7355546800        2.6834124251        3.2893475094
  C        15.0445491328       21.1518693696        4.7017084165
  C        16.1672269450       20.3305186883        4.6551361369
  H        14.8551165245       21.8271564579        3.8695412870
  H        16.8344397757       20.3616511133        3.7950425026
  N        26.9360339865       10.1250369414        5.9807890209
  C        27.4631181220        9.4041641067        5.0401175850
  C        28.7137542975        8.6795509757        5.2615505563
  C        29.4797739399        8.8692370603        6.4316841282
  C        29.1930793479        7.7839038648        4.2824115267
  C        38.8213933475        2.8406057930        5.3803357488
  C        36.3798586061        3.4209814250        5.2141638649
  C        37.4956856546        2.4453903782        5.3037829932
  C        34.1091082323        5.1059366653        5.0908195912
  C        37.1204409472        1.1028090007        5.3308207408
  C        39.2378684545        4.2226943586        5.3959935609
  C        35.7507328354        0.6528276100        5.3681180750
  H        27.0265142577        9.3139357693        4.0336544491
  H        29.1122767771        9.5686099969        7.1799068378
  H        28.6030828357        7.6155773803        3.3818660659
  H        38.5593604043        5.0669786895        5.3422935658
  C         5.5062382729       27.7395065454        4.0456207289
  C         4.3979217482       28.5767641123        4.1046824762
  H         6.1790558656       27.7677085707        3.1895992779
  H         4.1782762819       29.2679817620        3.2888878884
  C        24.8684118086       10.7987972758        4.7019275067
  C        23.7458123947       11.6200356545        4.6552282191
  H        25.0577345006       10.1242218420        3.8701984601
  H        23.0784983096       11.5894619978        3.7952858379
  N        12.9770250003       21.8246176470        5.9816190322
  C        12.4497310103       22.5464142720        5.0398258172
  C        11.1992860706       23.2706126052        5.2617276658
  C        10.4333111132       23.0805179522        6.4316511385
  C        10.7199398838       24.1667465880        4.2824829327
  C         1.0939527903       29.1089019351        5.3813857303
  C         3.5329653796       28.5298068643        5.2127276042
  C         2.4188593233       29.5033874589        5.3025194018
  C         5.8038913856       26.8441280940        5.0914672071
  C         2.7903069159       30.8477580600        5.3380185043
  C         0.6777284384       27.7276251481        5.3967853340
  C         4.1624255441       31.2932696435        5.3654179080
  H        12.8862499823       22.6371328222        4.0332995466
  H        10.8008127515       22.3805237359        7.1803910132
  H        11.3097802687       24.3357495035        3.3814645715
  H         1.3553499973       26.8823457391        5.3427914543
  N        19.9563886979       17.9612996493        5.4449540739
  N        19.9565827081       13.9888848971        5.4444434977
  N         0.0009601752       29.9706235549        5.4454281274
  N         0.0015756608        1.9792684426        5.4447972939
  N        18.0037547374       15.9751079667        5.4447347207
  N        21.9094553499       15.9750700433        5.4446206223
  N         1.9379387647       -0.0012500540        5.4558725159
  N        37.9712486321       -0.0019726288        5.4279486969
 Co        19.9564575722       15.9750799230        5.4447305251
 Co         0.0034553120       -0.0011538523        5.4474510126
  H        24.9775068550       17.3225395632       10.8120224381
  H        24.9770044595       14.6254579305        0.0769997748
  H        14.9355821972       14.6252148237       10.8127810357
  H        14.9358050683       17.3270805508        0.0781882371
  H        14.9250170326       17.3231233267        5.5237371806
  H        14.9250898402       14.6268624882        5.3661031658
  H        24.9879557106       14.6271110338        5.5237105482
  H        24.9878669084       17.3232994124        5.3661216733
     412
 i =       20, E =     -2345.6459109513
  C        14.4678126004       11.7401927365        9.4823753064
  C        15.5893010548       12.5597905129        9.5328916668
  H        13.7839905157       11.7765956696        8.6381303856
  H        15.8035376955       13.2533236215        8.7219027536
  C        34.9902972799       26.7766049435       10.1479778270
  C        36.1104371497       27.6032966416       10.0963970961
  H        34.8055359411       26.0886930558        9.3262275313
  H        36.7845385227       27.5648848483        9.2428225337
  N         6.9767754370        5.8566399743        0.5398349181
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  C         8.7547245985        7.2968982133       10.7113202367
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  C         9.2329142427        8.1926937617        9.7305345318
  C        18.8609359197       13.1383736085       10.8222402933
  C        16.4427754830       12.5331739380       10.6475678348
  C        17.5312963235       13.5379576885       10.7553998252
  C        14.1580968974       10.8590485604       10.5353505354
  C        17.1546330068       14.8779028706       10.8096993217
  C        19.2767834644       11.7618504463       10.8368626774
  C        15.7792907741       15.2984183256       10.8472240659
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  H         9.1537542766        6.4024189212        1.7296467096
  H         8.6440474935        8.3574436146        8.8302446457
  H        18.6048641726       10.9150070574       10.7755193271
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  H        24.1045961726       18.6969127180        8.7222597278
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  N        32.9313337513       26.0949088300        0.5395531942
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  C        31.1533333307       24.6524691997       10.7112040774
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  C        22.3769317700       18.4116746859       10.7558841731
  C        25.7501180313       21.0905484393       10.5353738129
  C        22.7536247254       17.0716258993       10.8107797013
  C        20.6314068063       20.1877872777       10.8369055970
  C        24.1289493628       16.6510663025       10.8466328647
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  H        21.3034011107       21.0346154815       10.7755775349
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  H        24.1047929665       13.2528917000        2.1709383307
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  N        32.9321646891        5.8557306255       10.3528096232
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  C        31.1535879064        7.2981870593        0.1811261187
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  C        30.6754335774        8.1937436094        1.1619190037
  C        21.0481718926       13.1397157379        0.0716485429
  C        23.4661898338       12.5341778318        0.2452117613
  C        22.3777190954       13.5389174087        0.1371779564
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  C        22.7535328328       14.8789302386        0.0808938357
  C        20.6332446632       11.7631063028        0.0566979402
  C        24.1286514204       15.2988088742        0.0434639556
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  H        30.7546249981        6.4017555169        9.1629006131
  H        31.2645629731        8.3580770169        2.0621121843
  H        21.3064530017       10.9167586114        0.1161158484
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  C        15.5886388210       19.3916680032        1.3602037473
  H        13.7831674275       20.1747546396        2.2546990818
  H        15.8030441499       18.6982804739        2.1712682221
  C        34.9907057925        5.1739757828        0.7443859426
  C        36.1108438938        4.3470227192        0.7957000394
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  H        36.7849924676        4.3858132296        1.6492692510
  N         6.9765093437       26.0939560370       10.3525072316
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  C         8.7539328906       24.6537386506        0.1810404173
  C         9.5216291767       24.8457964008        9.9067476118
  C         9.2321360359       23.7579521383        1.1619490651
  C        18.8594343237       18.8122489348        0.0706955540
  C        16.4415090054       19.4175253166        0.2450869450
  C        17.5300348835       18.4128202954        0.1365670496
  C        14.1571735757       21.0918155898        0.3571490936
  C        17.1543687817       17.0728546496        0.0794994799
  C        19.2743414146       20.1888613444        0.0562972831
  C        15.7790870591       16.6530239026        0.0440519882
  H         7.0729022489       25.2968506790        1.4114249961
  H         9.1534534600       25.5483101519        9.1625095503
  H         8.6432750103       23.5932298136        2.0622780788
  H        18.6012234859       21.0351883369        0.1160057079
  C         5.5076658720        4.2114573129        1.3999630696
  C         4.4001441663        3.3729399996        1.3388996016
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  H         4.1823392068        2.6811974751        2.1508372951
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  C        23.7411191318       20.3307929788        0.7886049719
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  H        23.0756065515       20.3614571051        1.6493610739
  N        12.9748465088       10.1236271299       10.3562753392
  C        12.4488502891        9.4067038520        0.4025816937
  C        11.1979638295        8.6817084230        0.1824809208
  C        10.4320729067        8.8716815604        9.9071254801
  C        10.7208924187        7.7840960784        1.1619273346
  C         1.0953466352        2.8454203285        0.0626066697
  C         3.5350289877        3.4214988851        0.2317844800
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  C         5.8042119786        5.1075593499        0.3549817173
  C         2.7980092615        1.1036349907        0.1077771579
  C         0.6795118290        4.2240981697        0.0478303061
  C         4.1596707315        0.6784607081        0.0822112528
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  H        10.8013766658        9.5714908238        9.1611910115
  H        11.3104901263        7.6173521069        2.0613616743
  H         1.3521994217        5.0694171889        0.1034253195
  C        34.3997372467       27.7407706142        1.4002867445
  C        35.5073196236       28.5789979134        1.3386416244
  H        33.7242658193       27.7659233761        2.2521778194
  H        35.7259606812       29.2699255323        2.1514134688
  C        15.0426073796       10.7966003122        0.7420076324
  C        16.1665664433       11.6209383326        0.7885035218
  H        14.8512173504       10.1209372367        1.5725668306
  H        16.8320180197       11.5898963074        1.6493611105
  N        26.9331255115       21.8258220904       10.3564262340
  C        27.4589489724       22.5452267406        0.4028072988
  C        28.7097129334       23.2701367242        0.1825513833
  C        29.4761139074       23.0781257522        9.9072520109
  C        29.1868043800       24.1675232510        1.1620341150
  C        38.8131273991       29.1066554547        0.0621852242
  C        36.3726409657       28.5301582434        0.2310506721
  C        37.4842924340       29.5069242645        0.1393821682
  C        34.1035511714       26.8443141421        0.3551559942
  C        37.1094815487       30.8478551891        0.1107763226
  C        39.2288140111       27.7278227760        0.0485074955
  C        35.7492953666       31.2728102643        0.0818809334
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  H        29.1066752563       22.3784040114        9.1613230732
  H        28.5969053594       24.3338843197        2.0613847829
  H        38.5558479080       26.8824530478        0.1039094700
  C        34.4007130446        4.2101761482        9.4919243391
  C        35.5082748377        3.3720327260        9.5531318096
  H        33.7251761513        4.1846491413        8.6401517410
  H        35.7264323217        2.6804103670        8.7408443704
  C        15.0420018599       21.1539778552       10.1502315586
  C        16.1657442249       20.3293812969       10.1037804870
  H        14.8507897673       21.8296536999        9.3196152078
  H        16.8311934502       20.3599992356        9.2429023820
  N        26.9334676845       10.1246925521        0.5359422348
  C        27.4597354910        9.4053430930       10.4895277325
  C        28.7104920902        8.6805074510       10.7097887450
  C        29.4763540820        8.8725227794        0.9850893844
  C        29.1875550650        7.7831332727        9.7303205985
  C        38.8142404412        2.8439513200       10.8297406105
  C        36.3737331429        3.4208020405       10.6602969064
  C        37.4853048974        2.4436339042       10.7503506841
  C        34.1045217183        5.1064367155       10.5372226731
  C        37.1104747582        1.1030344707       10.7839158418
  C        39.2298446032        4.2226672626       10.8448158959
  C        35.7498429534        0.6771603345       10.8100350753
  H        27.0236207530        9.3133191320        9.4823787382
  H        29.1069787466        9.5722183710        1.7310467321
  H        28.5976162575        7.6167464292        8.8310013770
  H        38.5570629213        5.0681337156       10.7891613929
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  C         4.3996304719       28.5782476997        9.5539724811
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  H         4.1813586117       29.2692052938        8.7411830630
  C        24.8661288870       10.7959759091       10.1506165519
  C        23.7424372636       11.6203041917       10.1038110882
  H        25.0572710421       10.1205097788        9.3200287194
  H        23.0768369610       11.5900937690        9.2431087357
  N        12.9739326758       21.8272029825        0.5360713981
  C        12.4486491665       22.5440479431       10.4897135748
  C        11.1977190996       23.2690204882       10.7098334305
  C        10.4313253853       23.0789788501        0.9853181297
  C        10.7206499597       24.1666350595        9.7302962396
  C         1.0947105602       29.1052014798       10.8300639776
  C         3.5346323851       28.5295066426       10.6617262709
  C         2.4232908857       29.5062652958       10.7531317876
  C         5.8039275357       26.8431906603       10.5373763558
  C         2.7971462058       30.8474736077       10.7817877757
  C         0.6788355134       27.7263441641       10.8435204341
  C         4.1585270077       31.2719398918       10.8106450288
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  H        10.8006640898       22.3791979823        1.7312862915
  H        11.3102562636       24.3333662772        8.8308493726
  H         1.3517389769       26.8811098156       10.7882673607
  N        19.9530708734       17.9572721193        0.0008654330
  N        19.9545449068       13.9946943802        0.0007933123
  N        -0.0003819682       29.9624580817        0.0000787245
  N         0.0005311775        1.9893622266       -0.0000394583
  N        18.0058701957       15.9763788788       -0.0041038537
  N        21.9019584113       15.9756490055        0.0020125978
  N         1.9337062218        0.0008574868       -0.0055180310
  N        37.9745381649        0.0007048941        0.0048317416
 Co        19.9538265332       15.9760656885        0.0001182232
 Co         0.0001423002       -0.0002786094        0.0004157117
  C        14.4668060495       11.7402500586        4.0357290169
  C        15.5877527264       12.5604516152        4.0866915113
  H        13.7827700227       11.7766332490        3.1916380422
  H        15.8025650586       13.2550178550        3.2766175626
  C        34.9902402894       26.7771772065        4.7013235419
  C        36.1107366313       27.6038403029        4.6501073103
  H        34.8050244238       26.0887513454        3.8792872478
  H        36.7847760763       27.5655602720        3.7961329574
  N         6.9764323148        5.8564075268        5.9872785685
  C         7.5042382084        6.5706524003        5.0451962537
  C         8.7543575344        7.2974731565        5.2652733783
  C         9.5217728772        7.1040862785        6.4317063404
  C         9.2323725873        8.1932571430        4.2843645295
  C        18.8589187192       13.1346409065        5.3768124677
  C        16.4406073574       12.5329313829        5.2016214087
  C        17.5294835225       13.5366033581        5.3099558337
  C        14.1574904229       10.8591258716        5.0888869688
  C        17.1494507455       14.8772707857        5.3645576907
  C        19.2752739271       11.7571592615        5.3912953412
  C        15.7732510073       15.2967620688        5.4009686266
  H         7.0732990144        6.6539000142        4.0353773912
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  H         8.6435473370        8.3579500718        3.3840209745
  H        18.6042673669       10.9073865195        5.3322425270
  C        25.4411460972       20.2107524169        4.0356959139
  C        24.3202435342       19.3907918756        4.0869024501
  H        26.1252170703       20.1746545348        3.1917510304
  H        24.1053085343       18.6963506944        3.2769464171
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  C         3.7978247530        4.3466136954        4.6500165450
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  H         3.1241903992        4.3854739669        3.7967854650
  N        32.9314050668       26.0935379425        5.9870122510
  C        32.4029724128       25.3792700869        5.0444581978
  C        31.1531163800       24.6528614754        5.2650514490
  C        30.3860225396       24.8460281734        6.4314578165
  C        30.6752381227       23.7573848262        4.2841820693
  C        21.0489817181       18.8160250855        5.3768983938
  C        23.4673302783       19.4178773946        5.2015891411
  C        22.3785121103       18.4141593134        5.3100991860
  C        25.7504180732       21.0916220779        5.0888962639
  C        22.7586418140       17.0734360022        5.3646982394
  C        20.6326249941       20.1935105022        5.3912703239
  C        24.1347755794       16.6539055547        5.4010367045
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  H        30.7543165321       25.5485468451        7.1756009360
  H        31.2644576702       23.5931906264        3.3840437760
  H        21.3037102965       21.0432755608        5.3321891322
  C        25.4414948658       11.7399493060        6.8565930501
  C        24.3206016144       12.5599404285        6.8053538736
  H        26.1255340654       11.7760847709        7.7005701747
  H        24.1058634100       13.2544019558        7.6153368592
  C         4.9168357499       26.7772020772        6.1909681041
  C         3.7968481292       27.6044817402        6.2417955578
  H         5.1018799924       26.0888882435        7.0126532924
  H         3.1232429385       27.5653679566        7.0954370345
  N        32.9320198976        5.8571545004        4.9053422747
  C        32.4035728407        6.5713969752        5.8478737931
  C        31.1536600542        7.2978134912        5.6272626112
  C        30.3864787757        7.1046581948        4.4608693968
  C        30.6758002764        8.1932830180        6.6081622431
  C        21.0491558945       13.1346306180        5.5151729297
  C        23.4675818411       12.5328165972        5.6907192222
  C        22.3787025537       13.5364938165        5.5820345063
  C        25.7507686440       10.8590426777        5.8034216077
  C        22.7587224137       14.8772528994        5.5273337003
  C        20.6327468176       11.7571624070        5.5010288567
  C        24.1348245341       15.2969129426        5.4911489847
  H        32.8355169886        6.6532079469        6.8568716302
  H        30.7546896913        6.4021639037        3.7166613673
  H        31.2650291262        8.3574754487        7.5083148459
  H        21.3037884874       10.9073929340        5.5603383156
  C        14.4665918207       20.2103678279        6.8566174836
  C        15.5875338114       19.3901401678        6.8056086839
  H        13.7826203001       20.1739665635        7.7007460473
  H        15.8022572023       18.6955425829        7.6156908646
  C        34.9907362643        5.1739821232        6.1911739219
  C        36.1112721528        4.3471787145        6.2431650738
  H        34.8057310215        5.8621757166        7.0133609285
  H        36.7855896237        4.3854019696        7.0970159321
  N         6.9762383987       26.0940283922        4.9050726756
  C         7.5038158097       25.3798660068        5.8473428854
  C         8.7539915140       24.6530802114        5.6271477249
  C         9.5212830764       24.8465647022        4.4605326185
  C         9.2319831998       23.7573073188        6.6081412297
  C        18.8587598657       18.8160308132        5.5153303821
  C        16.4403874583       19.4177112175        5.6906592767
  C        17.5293187104       18.4140522765        5.5821796567
  C        14.1571976528       21.0915209985        5.8034796385
  C        17.1493774468       17.0733563013        5.5274847031
  C        19.2751498703       20.1935185371        5.5010079842
  C        15.7732050444       16.6537631087        5.4911726012
  H         7.0726825511       25.2966954899        6.8571325077
  H         9.1530816461       25.5490843035        3.7162666589
  H         8.6430779047       23.5926544158        7.5084657677
  H        18.6041714509       21.0432828734        5.5602693720
  C         5.5080061947        4.2095454504        6.8455781381
  C         4.3993306960        3.3715183956        6.7842609904
  H         6.1828162776        4.1846268876        7.6980518026
  H         4.1816305586        2.6814847767        7.5979252373
  C        24.8658905454       21.1551583578        6.1877970968
  C        23.7423114462       20.3309867375        6.2349613131
  H        25.0570791386       21.8309579579        7.0180495521
  H        23.0754916648       20.3611035529        7.0946864680
  N        12.9743379224       10.1237312363        4.9096485757
  C        12.4489188465        9.4057271316        5.8485565338
  C        11.1978285674        8.6807413793        5.6285926191
  C        10.4316154976        8.8722434826        4.4609745418
  C        10.7208902628        7.7831181001        6.6081099964
  C         1.0944082314        2.8424042404        5.5103918658
  C         3.5347526547        3.4215957868        5.6771921345
  C         2.4237770361        2.4457922740        5.5870698266
  C         5.8038034533        5.1065739559        5.8014371317
  C         2.7964637376        1.1049094518        5.5568157712
  C         0.6800728230        4.2218819018        5.4953934443
  C         4.1492479368        0.6354563654        5.5187736981
  H        12.8846642105        9.3130412927        6.8559834146
  H        10.8009928249        9.5721038258        3.7151085384
  H        11.3105788105        7.6163497175        7.5075213129
  H         1.3526005732        5.0678243256        5.5507236178
  C        34.3992298969       27.7401738293        6.8471552747
  C        35.5088166952       28.5777517493        6.7867013616
  H        33.7233937536       27.7652489051        7.6993267653
  H        35.7263649006       29.2701392369        7.5993146177
  C        15.0420332774       10.7950823490        6.1881500626
  C        16.1656663412       11.6195420808        6.2349106667
  H        14.8508667411       10.1190911972        7.0184456195
  H        16.8323890760       11.5890162175        7.0947837656
  N        26.9332861771       21.8268897254        4.9097879832
  C        27.4591138528       22.5449968080        5.8487353509
  C        28.7100646998       23.2698905055        5.6286526107
  C        29.4761075762       23.0786367897        4.4610886035
  C        29.1870285475       24.1672571571        6.6082258769
  C        38.8159281902       29.1091045285        5.5089168788
  C        36.3744997953       28.5274789189        5.6800267544
  C        37.4853350531       29.5054106872        5.5885030743
  C        34.1039533835       26.8435724878        5.8018376281
  C        37.1089029636       30.8456475737        5.5506512041
  C        39.2303901842       27.7287194862        5.4937592188
  C        35.7556687172       31.3146785134        5.5243710164
  H        27.0229481044       22.6370195744        6.8558434492
  H        29.1066595917       22.3788701759        3.7152564970
  H        28.5970340959       24.3336989344        7.5075217664
  H        38.5568705055       26.8831700538        5.5494367981
  C        34.4001304584        4.2100903437        4.0454899432
  C        35.5097499885        3.3724645637        4.1067904926
  H        33.7243183539        4.1852954934        3.1930710640
  H        35.7275683428        2.6808815815        3.2933407733
  C        15.0417147834       21.1556182671        4.7041786210
  C        16.1653884814       20.3311902259        4.6574282811
  H        14.8505361136       21.8315747847        3.8738465419
  H        16.8320947599       20.3618090703        3.7975487471
  N        26.9336739014       10.1238020784        5.9825388052
  C        27.4595281651        9.4056783329        5.0436347971
  C        28.7105157725        8.6807957306        5.2637268119
  C        29.4766489603        8.8720134257        6.4312745165
  C        29.1874673861        7.7834257127        4.2841414013
  C        38.8170981280        2.8409729363        5.3814518235
  C        36.3747763374        3.4224250192        5.2145375183
  C        37.4859392435        2.4443034606        5.3047290116
  C        34.1045578332        5.1069724823        5.0906877275
  C        37.1100553032        1.1050728316        5.3327615975
  C        39.2314806701        4.2215185519        5.3969715367
  C        35.7549051857        0.6367773836        5.3734248606
  H        27.0233571658        9.3136058388        4.0365169517
  H        29.1072924521        9.5717394719        7.1771649848
  H        28.5974761501        7.6169668104        3.3848419676
  H        38.5578296962        5.0670794123        5.3424201223
  C         5.5077298196       27.7403505780        4.0459985273
  C         4.3985029284       28.5781672108        4.1061988581
  H         6.1828630195       27.7658412996        3.1936632937
  H         4.1814116090       29.2699738598        3.2934522420
  C        24.8661514672       10.7954832437        4.7045754892
  C        23.7425390049       11.6196202046        4.6574325171
  H        25.0572749324       10.1197448433        3.8742791391
  H        23.0757019758       11.5894135075        3.7977269806
  N        12.9740205053       21.8269175544        5.9827105281
  C        12.4485803478       22.5448858369        5.0438106172
  C        11.1974347863       23.2698970711        5.2637665273
  C        10.4312741877       23.0783562530        6.4314957821
  C        10.7204454303       24.1675162786        4.2841331091
  C         1.0933914818       29.1086726910        5.3826034004
  C         3.5334838632       28.5285093939        5.2129880134
  C         2.4230191230       29.5061619106        5.3037904944
  C         5.8033685727       26.8437774404        5.0908652520
  C         2.7961760860       30.8455514735        5.3410962448
  C         0.6793022654       27.7288538704        5.3977648520
  C         4.1516849331       31.3142605233        5.3709178138
  H        12.8842268426       22.6376160839        4.0363427784
  H        10.8006277253       22.3785092990        7.1773912895
  H        11.3101006958       24.3343305427        3.3846968887
  H         1.3519507154       26.8828763544        5.3430191151
  N        19.9538640507       17.9609387290        5.4462455190
  N        19.9540301161       13.9897247766        5.4456911274
  N         0.0010146845       29.9692102116        5.4469362508
  N         0.0020835620        1.9811210566        5.4463075510
  N        18.0005073385       15.9753384621        5.4460063301
  N        21.9076038841       15.9753139050        5.4458859919
  N         1.9375085172       -0.0003647805        5.4578298059
  N        37.9680415223       -0.0021994701        5.4277401218
 Co        19.9539545132       15.9753196326        5.4459788400
 Co         0.0027582811       -0.0006241323        5.4490473533
  H        24.9781311463       17.3209729299       10.8146123811
  H        24.9771864472       14.6277981351        0.0766935510
  H        14.9301323254       14.6285312179       10.8154908842
  H        14.9305393995       17.3239558992        0.0780145045
  H        14.9216697879       17.3195304626        5.5247451910
  H        14.9217425921       14.6309297786        5.3676135309
  H        24.9863457422       14.6311182043        5.5247211607
  H        24.9862554906       17.3197793830        5.3676347247
     412
 i =       21, E =     -2345.6430825804
  C        14.4678126004       11.7401927365        9.4823753064
  C        15.5893010548       12.5597905129        9.5328916668
  H        13.7839905157       11.7765956696        8.6381303856
  H        15.8035376955       13.2533236215        8.7219027536
  C        34.9902972799       26.7766049435       10.1479778270
  C        36.1104371497       27.6032966416       10.0963970961
  H        34.8055359411       26.0886930558        9.3262275313
  H        36.7845385227       27.5648848483        9.2428225337
  N         6.9767754370        5.8566399743        0.5398349181
  C         7.5048161272        6.5704217552       10.4906683729
  C         8.7547245985        7.2968982133       10.7113202367
  C         9.5219145284        7.1049314581        0.9854593451
  C         9.2329142427        8.1926937617        9.7305345318
  C        18.8609359197       13.1383736085       10.8222402933
  C        16.4427754830       12.5331739380       10.6475678348
  C        17.5312963235       13.5379576885       10.7553998252
  C        14.1580968974       10.8590485604       10.5353505354
  C        17.1546330068       14.8779028706       10.8096993217
  C        19.2767834644       11.7618504463       10.8368626774
  C        15.7792907741       15.2984183256       10.8472240659
  H         7.0737543921        6.6538759862        9.4810703186
  H         9.1537542766        6.4024189212        1.7296467096
  H         8.6440474935        8.3574436146        8.8302446457
  H        18.6048641726       10.9150070574       10.7755193271
  C        25.4404451542       20.2096561693        9.4823432749
  C        24.3189709771       19.3903136312        9.5331259458
  H        26.1242817256       20.1735197279        8.6382078225
  H        24.1045961726       18.6969127180        8.7222597278
  C         4.9179057493        5.1729701594       10.1478222370
  C         3.7980127048        4.3457968744       10.0969807046
  H         5.1027393728        5.8612392341        9.3264881592
  H         3.1240933978        4.3851538536        9.2436959137
  N        32.9313337513       26.0949088300        0.5395531942
  C        32.4030569978       25.3786394818       10.4900881972
  C        31.1533333307       24.6524691997       10.7112040774
  C        30.3856776193       24.8464412294        0.9852595271
  C        30.6751761039       23.7569228710        9.7304135513
  C        21.0472891340       18.8112920889       10.8231911677
  C        23.4654329639       19.4164621414       10.6475589471
  C        22.3769317700       18.4116746859       10.7558841731
  C        25.7501180313       21.0905484393       10.5353738129
  C        22.7536247254       17.0716258993       10.8107797013
  C        20.6314068063       20.1877872777       10.8369055970
  C        24.1289493628       16.6510663025       10.8466328647
  H        32.8347560419       25.2963661675        9.4811023254
  H        30.7539369833       25.5489259784        1.7294363372
  H        31.2643043293       23.5926103703        8.8302177659
  H        21.3034011107       21.0346154815       10.7755775349
  C        25.4407643240       11.7403298793        1.4105118514
  C        24.3192538187       12.5596114754        1.3599980359
  H        26.1247386158       11.7764673650        2.2545423571
  H        24.1047929665       13.2528917000        2.1709383307
  C         4.9169748611       26.7775065502        0.7447124765
  C         3.7968994379       27.6044372237        0.7958542775
  H         5.1017937126       26.0893651850        1.5662188807
  H         3.1230175474       27.5654440930        1.6493120559
  N        32.9321646891        5.8557306255       10.3528096232
  C        32.4033684988        6.5720004473        0.4022288961
  C        31.1535879064        7.2981870593        0.1811261187
  C        30.3864378261        7.1042336310        9.9070959370
  C        30.6754335774        8.1937436094        1.1619190037
  C        21.0481718926       13.1397157379        0.0716485429
  C        23.4661898338       12.5341778318        0.2452117613
  C        22.3777190954       13.5389174087        0.1371779564
  C        25.7504926111       10.8599305127        0.3570927046
  C        22.7535328328       14.8789302386        0.0808938357
  C        20.6332446632       11.7631063028        0.0566979402
  C        24.1286514204       15.2988088742        0.0434639556
  H        32.8350888681        6.6543573108        1.4112216358
  H        30.7546249981        6.4017555169        9.1629006131
  H        31.2645629731        8.3580770169        2.0621121843
  H        21.3064530017       10.9167586114        0.1161158484
  C        14.4670510643       20.2111760419        1.4105097283
  C        15.5886388210       19.3916680032        1.3602037473
  H        13.7831674275       20.1747546396        2.2546990818
  H        15.8030441499       18.6982804739        2.1712682221
  C        34.9907057925        5.1739757828        0.7443859426
  C        36.1108438938        4.3470227192        0.7957000394
  H        34.8059972162        5.8620106573        1.5661284329
  H        36.7849924676        4.3858132296        1.6492692510
  N         6.9765093437       26.0939560370       10.3525072316
  C         7.5039400482       25.3802235169        0.4017747651
  C         8.7539328906       24.6537386506        0.1810404173
  C         9.5216291767       24.8457964008        9.9067476118
  C         9.2321360359       23.7579521383        1.1619490651
  C        18.8594343237       18.8122489348        0.0706955540
  C        16.4415090054       19.4175253166        0.2450869450
  C        17.5300348835       18.4128202954        0.1365670496
  C        14.1571735757       21.0918155898        0.3571490936
  C        17.1543687817       17.0728546496        0.0794994799
  C        19.2743414146       20.1888613444        0.0562972831
  C        15.7790870591       16.6530239026        0.0440519882
  H         7.0729022489       25.2968506790        1.4114249961
  H         9.1534534600       25.5483101519        9.1625095503
  H         8.6432750103       23.5932298136        2.0622780788
  H        18.6012234859       21.0351883369        0.1160057079
  C         5.5076658720        4.2114573129        1.3999630696
  C         4.4001441663        3.3729399996        1.3388996016
  H         6.1831151766        4.1856218067        2.2516489145
  H         4.1823392068        2.6811974751        2.1508372951
  C        24.8650334672       21.1548554280        0.7416937922
  C        23.7411191318       20.3307929788        0.7886049719
  H        25.0564939930       21.8303440153        1.5722192373
  H        23.0756065515       20.3614571051        1.6493610739
  N        12.9748465088       10.1236271299       10.3562753392
  C        12.4488502891        9.4067038520        0.4025816937
  C        11.1979638295        8.6817084230        0.1824809208
  C        10.4320729067        8.8716815604        9.9071254801
  C        10.7208924187        7.7840960784        1.1619273346
  C         1.0953466352        2.8454203285        0.0626066697
  C         3.5350289877        3.4214988851        0.2317844800
  C         2.4239547072        2.4444179423        0.1418913355
  C         5.8042119786        5.1075593499        0.3549817173
  C         2.7980092615        1.1036349907        0.1077771579
  C         0.6795118290        4.2240981697        0.0478303061
  C         4.1596707315        0.6784607081        0.0822112528
  H        12.8843867957        9.3140235093        1.4100664401
  H        10.8013766658        9.5714908238        9.1611910115
  H        11.3104901263        7.6173521069        2.0613616743
  H         1.3521994217        5.0694171889        0.1034253195
  C        34.3997372467       27.7407706142        1.4002867445
  C        35.5073196236       28.5789979134        1.3386416244
  H        33.7242658193       27.7659233761        2.2521778194
  H        35.7259606812       29.2699255323        2.1514134688
  C        15.0426073796       10.7966003122        0.7420076324
  C        16.1665664433       11.6209383326        0.7885035218
  H        14.8512173504       10.1209372367        1.5725668306
  H        16.8320180197       11.5898963074        1.6493611105
  N        26.9331255115       21.8258220904       10.3564262340
  C        27.4589489724       22.5452267406        0.4028072988
  C        28.7097129334       23.2701367242        0.1825513833
  C        29.4761139074       23.0781257522        9.9072520109
  C        29.1868043800       24.1675232510        1.1620341150
  C        38.8131273991       29.1066554547        0.0621852242
  C        36.3726409657       28.5301582434        0.2310506721
  C        37.4842924340       29.5069242645        0.1393821682
  C        34.1035511714       26.8443141421        0.3551559942
  C        37.1094815487       30.8478551891        0.1107763226
  C        39.2288140111       27.7278227760        0.0485074955
  C        35.7492953666       31.2728102643        0.0818809334
  H        27.0229481113       22.6372356177        1.4099985688
  H        29.1066752563       22.3784040114        9.1613230732
  H        28.5969053594       24.3338843197        2.0613847829
  H        38.5558479080       26.8824530478        0.1039094700
  C        34.4007130446        4.2101761482        9.4919243391
  C        35.5082748377        3.3720327260        9.5531318096
  H        33.7251761513        4.1846491413        8.6401517410
  H        35.7264323217        2.6804103670        8.7408443704
  C        15.0420018599       21.1539778552       10.1502315586
  C        16.1657442249       20.3293812969       10.1037804870
  H        14.8507897673       21.8296536999        9.3196152078
  H        16.8311934502       20.3599992356        9.2429023820
  N        26.9334676845       10.1246925521        0.5359422348
  C        27.4597354910        9.4053430930       10.4895277325
  C        28.7104920902        8.6805074510       10.7097887450
  C        29.4763540820        8.8725227794        0.9850893844
  C        29.1875550650        7.7831332727        9.7303205985
  C        38.8142404412        2.8439513200       10.8297406105
  C        36.3737331429        3.4208020405       10.6602969064
  C        37.4853048974        2.4436339042       10.7503506841
  C        34.1045217183        5.1064367155       10.5372226731
  C        37.1104747582        1.1030344707       10.7839158418
  C        39.2298446032        4.2226672626       10.8448158959
  C        35.7498429534        0.6771603345       10.8100350753
  H        27.0236207530        9.3133191320        9.4823787382
  H        29.1069787466        9.5722183710        1.7310467321
  H        28.5976162575        7.6167464292        8.8310013770
  H        38.5570629213        5.0681337156       10.7891613929
  C         5.5073129726       27.7395571818        9.4924348629
  C         4.3996304719       28.5782476997        9.5539724811
  H         6.1826737330       27.7650791478        8.6404088850
  H         4.1813586117       29.2692052938        8.7411830630
  C        24.8661288870       10.7959759091       10.1506165519
  C        23.7424372636       11.6203041917       10.1038110882
  H        25.0572710421       10.1205097788        9.3200287194
  H        23.0768369610       11.5900937690        9.2431087357
  N        12.9739326758       21.8272029825        0.5360713981
  C        12.4486491665       22.5440479431       10.4897135748
  C        11.1977190996       23.2690204882       10.7098334305
  C        10.4313253853       23.0789788501        0.9853181297
  C        10.7206499597       24.1666350595        9.7302962396
  C         1.0947105602       29.1052014798       10.8300639776
  C         3.5346323851       28.5295066426       10.6617262709
  C         2.4232908857       29.5062652958       10.7531317876
  C         5.8039275357       26.8431906603       10.5373763558
  C         2.7971462058       30.8474736077       10.7817877757
  C         0.6788355134       27.7263441641       10.8435204341
  C         4.1585270077       31.2719398918       10.8106450288
  H        12.8842227392       22.6367364052        9.4822479810
  H        10.8006640898       22.3791979823        1.7312862915
  H        11.3102562636       24.3333662772        8.8308493726
  H         1.3517389769       26.8811098156       10.7882673607
  N        19.9530708734       17.9572721193        0.0008654330
  N        19.9545449068       13.9946943802        0.0007933123
  N        -0.0003819682       29.9624580817        0.0000787245
  N         0.0005311775        1.9893622266       -0.0000394583
  N        18.0058701957       15.9763788788       -0.0041038537
  N        21.9019584113       15.9756490055        0.0020125978
  N         1.9337062218        0.0008574868       -0.0055180310
  N        37.9745381649        0.0007048941        0.0048317416
 Co        19.9538265332       15.9760656885        0.0001182232
 Co         0.0001423002       -0.0002786094        0.0004157117
  C        14.4668060495       11.7402500586        4.0357290169
  C        15.5877527264       12.5604516152        4.0866915113
  H        13.7827700227       11.7766332490        3.1916380422
  H        15.8025650586       13.2550178550        3.2766175626
  C        34.9902402894       26.7771772065        4.7013235419
  C        36.1107366313       27.6038403029        4.6501073103
  H        34.8050244238       26.0887513454        3.8792872478
  H        36.7847760763       27.5655602720        3.7961329574
  N         6.9764323148        5.8564075268        5.9872785685
  C         7.5042382084        6.5706524003        5.0451962537
  C         8.7543575344        7.2974731565        5.2652733783
  C         9.5217728772        7.1040862785        6.4317063404
  C         9.2323725873        8.1932571430        4.2843645295
  C        18.8589187192       13.1346409065        5.3768124677
  C        16.4406073574       12.5329313829        5.2016214087
  C        17.5294835225       13.5366033581        5.3099558337
  C        14.1574904229       10.8591258716        5.0888869688
  C        17.1494507455       14.8772707857        5.3645576907
  C        19.2752739271       11.7571592615        5.3912953412
  C        15.7732510073       15.2967620688        5.4009686266
  H         7.0732990144        6.6539000142        4.0353773912
  H         9.1536709369        6.4016200741        7.1759825191
  H         8.6435473370        8.3579500718        3.3840209745
  H        18.6042673669       10.9073865195        5.3322425270
  C        25.4411460972       20.2107524169        4.0356959139
  C        24.3202435342       19.3907918756        4.0869024501
  H        26.1252170703       20.1746545348        3.1917510304
  H        24.1053085343       18.6963506944        3.2769464171
  C         4.9174508084        5.1736951658        4.7016104059
  C         3.7978247530        4.3466136954        4.6500165450
  H         5.1024947986        5.8616343579        3.8800041048
  H         3.1241903992        4.3854739669        3.7967854650
  N        32.9314050668       26.0935379425        5.9870122510
  C        32.4029724128       25.3792700869        5.0444581978
  C        31.1531163800       24.6528614754        5.2650514490
  C        30.3860225396       24.8460281734        6.4314578165
  C        30.6752381227       23.7573848262        4.2841820693
  C        21.0489817181       18.8160250855        5.3768983938
  C        23.4673302783       19.4178773946        5.2015891411
  C        22.3785121103       18.4141593134        5.3100991860
  C        25.7504180732       21.0916220779        5.0888962639
  C        22.7586418140       17.0734360022        5.3646982394
  C        20.6326249941       20.1935105022        5.3912703239
  C        24.1347755794       16.6539055547        5.4010367045
  H        32.8349332527       25.2974387761        4.0355177346
  H        30.7543165321       25.5485468451        7.1756009360
  H        31.2644576702       23.5931906264        3.3840437760
  H        21.3037102965       21.0432755608        5.3321891322
  C        25.4414948658       11.7399493060        6.8565930501
  C        24.3206016144       12.5599404285        6.8053538736
  H        26.1255340654       11.7760847709        7.7005701747
  H        24.1058634100       13.2544019558        7.6153368592
  C         4.9168357499       26.7772020772        6.1909681041
  C         3.7968481292       27.6044817402        6.2417955578
  H         5.1018799924       26.0888882435        7.0126532924
  H         3.1232429385       27.5653679566        7.0954370345
  N        32.9320198976        5.8571545004        4.9053422747
  C        32.4035728407        6.5713969752        5.8478737931
  C        31.1536600542        7.2978134912        5.6272626112
  C        30.3864787757        7.1046581948        4.4608693968
  C        30.6758002764        8.1932830180        6.6081622431
  C        21.0491558945       13.1346306180        5.5151729297
  C        23.4675818411       12.5328165972        5.6907192222
  C        22.3787025537       13.5364938165        5.5820345063
  C        25.7507686440       10.8590426777        5.8034216077
  C        22.7587224137       14.8772528994        5.5273337003
  C        20.6327468176       11.7571624070        5.5010288567
  C        24.1348245341       15.2969129426        5.4911489847
  H        32.8355169886        6.6532079469        6.8568716302
  H        30.7546896913        6.4021639037        3.7166613673
  H        31.2650291262        8.3574754487        7.5083148459
  H        21.3037884874       10.9073929340        5.5603383156
  C        14.4665918207       20.2103678279        6.8566174836
  C        15.5875338114       19.3901401678        6.8056086839
  H        13.7826203001       20.1739665635        7.7007460473
  H        15.8022572023       18.6955425829        7.6156908646
  C        34.9907362643        5.1739821232        6.1911739219
  C        36.1112721528        4.3471787145        6.2431650738
  H        34.8057310215        5.8621757166        7.0133609285
  H        36.7855896237        4.3854019696        7.0970159321
  N         6.9762383987       26.0940283922        4.9050726756
  C         7.5038158097       25.3798660068        5.8473428854
  C         8.7539915140       24.6530802114        5.6271477249
  C         9.5212830764       24.8465647022        4.4605326185
  C         9.2319831998       23.7573073188        6.6081412297
  C        18.8587598657       18.8160308132        5.5153303821
  C        16.4403874583       19.4177112175        5.6906592767
  C        17.5293187104       18.4140522765        5.5821796567
  C        14.1571976528       21.0915209985        5.8034796385
  C        17.1493774468       17.0733563013        5.5274847031
  C        19.2751498703       20.1935185371        5.5010079842
  C        15.7732050444       16.6537631087        5.4911726012
  H         7.0726825511       25.2966954899        6.8571325077
  H         9.1530816461       25.5490843035        3.7162666589
  H         8.6430779047       23.5926544158        7.5084657677
  H        18.6041714509       21.0432828734        5.5602693720
  C         5.5080061947        4.2095454504        6.8455781381
  C         4.3993306960        3.3715183956        6.7842609904
  H         6.1828162776        4.1846268876        7.6980518026
  H         4.1816305586        2.6814847767        7.5979252373
  C        24.8658905454       21.1551583578        6.1877970968
  C        23.7423114462       20.3309867375        6.2349613131
  H        25.0570791386       21.8309579579        7.0180495521
  H        23.0754916648       20.3611035529        7.0946864680
  N        12.9743379224       10.1237312363        4.9096485757
  C        12.4489188465        9.4057271316        5.8485565338
  C        11.1978285674        8.6807413793        5.6285926191
  C        10.4316154976        8.8722434826        4.4609745418
  C        10.7208902628        7.7831181001        6.6081099964
  C         1.0944082314        2.8424042404        5.5103918658
  C         3.5347526547        3.4215957868        5.6771921345
  C         2.4237770361        2.4457922740        5.5870698266
  C         5.8038034533        5.1065739559        5.8014371317
  C         2.7964637376        1.1049094518        5.5568157712
  C         0.6800728230        4.2218819018        5.4953934443
  C         4.1492479368        0.6354563654        5.5187736981
  H        12.8846642105        9.3130412927        6.8559834146
  H        10.8009928249        9.5721038258        3.7151085384
  H        11.3105788105        7.6163497175        7.5075213129
  H         1.3526005732        5.0678243256        5.5507236178
  C        34.3992298969       27.7401738293        6.8471552747
  C        35.5088166952       28.5777517493        6.7867013616
  H        33.7233937536       27.7652489051        7.6993267653
  H        35.7263649006       29.2701392369        7.5993146177
  C        15.0420332774       10.7950823490        6.1881500626
  C        16.1656663412       11.6195420808        6.2349106667
  H        14.8508667411       10.1190911972        7.0184456195
  H        16.8323890760       11.5890162175        7.0947837656
  N        26.9332861771       21.8268897254        4.9097879832
  C        27.4591138528       22.5449968080        5.8487353509
  C        28.7100646998       23.2698905055        5.6286526107
  C        29.4761075762       23.0786367897        4.4610886035
  C        29.1870285475       24.1672571571        6.6082258769
  C        38.8159281902       29.1091045285        5.5089168788
  C        36.3744997953       28.5274789189        5.6800267544
  C        37.4853350531       29.5054106872        5.5885030743
  C        34.1039533835       26.8435724878        5.8018376281
  C        37.1089029636       30.8456475737        5.5506512041
  C        39.2303901842       27.7287194862        5.4937592188
  C        35.7556687172       31.3146785134        5.5243710164
  H        27.0229481044       22.6370195744        6.8558434492
  H        29.1066595917       22.3788701759        3.7152564970
  H        28.5970340959       24.3336989344        7.5075217664
  H        38.5568705055       26.8831700538        5.5494367981
  C        34.4001304584        4.2100903437        4.0454899432
  C        35.5097499885        3.3724645637        4.1067904926
  H        33.7243183539        4.1852954934        3.1930710640
  H        35.7275683428        2.6808815815        3.2933407733
  C        15.0417147834       21.1556182671        4.7041786210
  C        16.1653884814       20.3311902259        4.6574282811
  H        14.8505361136       21.8315747847        3.8738465419
  H        16.8320947599       20.3618090703        3.7975487471
  N        26.9336739014       10.1238020784        5.9825388052
  C        27.4595281651        9.4056783329        5.0436347971
  C        28.7105157725        8.6807957306        5.2637268119
  C        29.4766489603        8.8720134257        6.4312745165
  C        29.1874673861        7.7834257127        4.2841414013
  C        38.8170981280        2.8409729363        5.3814518235
  C        36.3747763374        3.4224250192        5.2145375183
  C        37.4859392435        2.4443034606        5.3047290116
  C        34.1045578332        5.1069724823        5.0906877275
  C        37.1100553032        1.1050728316        5.3327615975
  C        39.2314806701        4.2215185519        5.3969715367
  C        35.7549051857        0.6367773836        5.3734248606
  H        27.0233571658        9.3136058388        4.0365169517
  H        29.1072924521        9.5717394719        7.1771649848
  H        28.5974761501        7.6169668104        3.3848419676
  H        38.5578296962        5.0670794123        5.3424201223
  C         5.5077298196       27.7403505780        4.0459985273
  C         4.3985029284       28.5781672108        4.1061988581
  H         6.1828630195       27.7658412996        3.1936632937
  H         4.1814116090       29.2699738598        3.2934522420
  C        24.8661514672       10.7954832437        4.7045754892
  C        23.7425390049       11.6196202046        4.6574325171
  H        25.0572749324       10.1197448433        3.8742791391
  H        23.0757019758       11.5894135075        3.7977269806
  N        12.9740205053       21.8269175544        5.9827105281
  C        12.4485803478       22.5448858369        5.0438106172
  C        11.1974347863       23.2698970711        5.2637665273
  C        10.4312741877       23.0783562530        6.4314957821
  C        10.7204454303       24.1675162786        4.2841331091
  C         1.0933914818       29.1086726910        5.3826034004
  C         3.5334838632       28.5285093939        5.2129880134
  C         2.4230191230       29.5061619106        5.3037904944
  C         5.8033685727       26.8437774404        5.0908652520
  C         2.7961760860       30.8455514735        5.3410962448
  C         0.6793022654       27.7288538704        5.3977648520
  C         4.1516849331       31.3142605233        5.3709178138
  H        12.8842268426       22.6376160839        4.0363427784
  H        10.8006277253       22.3785092990        7.1773912895
  H        11.3101006958       24.3343305427        3.3846968887
  H         1.3519507154       26.8828763544        5.3430191151
  N        19.9538640507       17.9609387290        5.4462455190
  N        19.9540301161       13.9897247766        5.4456911274
  N         0.0010146845       29.9692102116        5.4469362508
  N         0.0020835620        1.9811210566        5.4463075510
  N        18.0005073385       15.9753384621        5.4460063301
  N        21.9076038841       15.9753139050        5.4458859919
  N         1.9375085172       -0.0003647805        5.4578298059
  N        37.9680415223       -0.0021994701        5.4277401218
 Co        19.9539545132       15.9753196326        5.4459788400
 Co         0.0027582811       -0.0006241323        5.4490473533
  H        24.9781311463       17.3209729299       10.8146123811
  H        24.9771864472       14.6277981351        0.0766935510
  H        14.9301323254       14.6285312179       10.8154908842
  H        14.9305393995       17.3239558992        0.0780145045
  H        14.9216697879       17.3195304626        5.5247451910
  H        14.9217425921       14.6309297786        5.3676135309
  H        24.9863457422       14.6311182043        5.5247211607
  H        24.9862554906       17.3197793830        5.3676347247
     412
 i =       23, E =     -2345.6475667238
  C        14.4678126004       11.7401927365        9.4823753064
  C        15.5893010548       12.5597905129        9.5328916668
  H        13.7839905157       11.7765956696        8.6381303856
  H        15.8035376955       13.2533236215        8.7219027536
  C        34.9902972799       26.7766049435       10.1479778270
  C        36.1104371497       27.6032966416       10.0963970961
  H        34.8055359411       26.0886930558        9.3262275313
  H        36.7845385227       27.5648848483        9.2428225337
  N         6.9767754370        5.8566399743        0.5398349181
  C         7.5048161272        6.5704217552       10.4906683729
  C         8.7547245985        7.2968982133       10.7113202367
  C         9.5219145284        7.1049314581        0.9854593451
  C         9.2329142427        8.1926937617        9.7305345318
  C        18.8609359197       13.1383736085       10.8222402933
  C        16.4427754830       12.5331739380       10.6475678348
  C        17.5312963235       13.5379576885       10.7553998252
  C        14.1580968974       10.8590485604       10.5353505354
  C        17.1546330068       14.8779028706       10.8096993217
  C        19.2767834644       11.7618504463       10.8368626774
  C        15.7792907741       15.2984183256       10.8472240659
  H         7.0737543921        6.6538759862        9.4810703186
  H         9.1537542766        6.4024189212        1.7296467096
  H         8.6440474935        8.3574436146        8.8302446457
  H        18.6048641726       10.9150070574       10.7755193271
  C        25.4404451542       20.2096561693        9.4823432749
  C        24.3189709771       19.3903136312        9.5331259458
  H        26.1242817256       20.1735197279        8.6382078225
  H        24.1045961726       18.6969127180        8.7222597278
  C         4.9179057493        5.1729701594       10.1478222370
  C         3.7980127048        4.3457968744       10.0969807046
  H         5.1027393728        5.8612392341        9.3264881592
  H         3.1240933978        4.3851538536        9.2436959137
  N        32.9313337513       26.0949088300        0.5395531942
  C        32.4030569978       25.3786394818       10.4900881972
  C        31.1533333307       24.6524691997       10.7112040774
  C        30.3856776193       24.8464412294        0.9852595271
  C        30.6751761039       23.7569228710        9.7304135513
  C        21.0472891340       18.8112920889       10.8231911677
  C        23.4654329639       19.4164621414       10.6475589471
  C        22.3769317700       18.4116746859       10.7558841731
  C        25.7501180313       21.0905484393       10.5353738129
  C        22.7536247254       17.0716258993       10.8107797013
  C        20.6314068063       20.1877872777       10.8369055970
  C        24.1289493628       16.6510663025       10.8466328647
  H        32.8347560419       25.2963661675        9.4811023254
  H        30.7539369833       25.5489259784        1.7294363372
  H        31.2643043293       23.5926103703        8.8302177659
  H        21.3034011107       21.0346154815       10.7755775349
  C        25.4407643240       11.7403298793        1.4105118514
  C        24.3192538187       12.5596114754        1.3599980359
  H        26.1247386158       11.7764673650        2.2545423571
  H        24.1047929665       13.2528917000        2.1709383307
  C         4.9169748611       26.7775065502        0.7447124765
  C         3.7968994379       27.6044372237        0.7958542775
  H         5.1017937126       26.0893651850        1.5662188807
  H         3.1230175474       27.5654440930        1.6493120559
  N        32.9321646891        5.8557306255       10.3528096232
  C        32.4033684988        6.5720004473        0.4022288961
  C        31.1535879064        7.2981870593        0.1811261187
  C        30.3864378261        7.1042336310        9.9070959370
  C        30.6754335774        8.1937436094        1.1619190037
  C        21.0481718926       13.1397157379        0.0716485429
  C        23.4661898338       12.5341778318        0.2452117613
  C        22.3777190954       13.5389174087        0.1371779564
  C        25.7504926111       10.8599305127        0.3570927046
  C        22.7535328328       14.8789302386        0.0808938357
  C        20.6332446632       11.7631063028        0.0566979402
  C        24.1286514204       15.2988088742        0.0434639556
  H        32.8350888681        6.6543573108        1.4112216358
  H        30.7546249981        6.4017555169        9.1629006131
  H        31.2645629731        8.3580770169        2.0621121843
  H        21.3064530017       10.9167586114        0.1161158484
  C        14.4670510643       20.2111760419        1.4105097283
  C        15.5886388210       19.3916680032        1.3602037473
  H        13.7831674275       20.1747546396        2.2546990818
  H        15.8030441499       18.6982804739        2.1712682221
  C        34.9907057925        5.1739757828        0.7443859426
  C        36.1108438938        4.3470227192        0.7957000394
  H        34.8059972162        5.8620106573        1.5661284329
  H        36.7849924676        4.3858132296        1.6492692510
  N         6.9765093437       26.0939560370       10.3525072316
  C         7.5039400482       25.3802235169        0.4017747651
  C         8.7539328906       24.6537386506        0.1810404173
  C         9.5216291767       24.8457964008        9.9067476118
  C         9.2321360359       23.7579521383        1.1619490651
  C        18.8594343237       18.8122489348        0.0706955540
  C        16.4415090054       19.4175253166        0.2450869450
  C        17.5300348835       18.4128202954        0.1365670496
  C        14.1571735757       21.0918155898        0.3571490936
  C        17.1543687817       17.0728546496        0.0794994799
  C        19.2743414146       20.1888613444        0.0562972831
  C        15.7790870591       16.6530239026        0.0440519882
  H         7.0729022489       25.2968506790        1.4114249961
  H         9.1534534600       25.5483101519        9.1625095503
  H         8.6432750103       23.5932298136        2.0622780788
  H        18.6012234859       21.0351883369        0.1160057079
  C         5.5076658720        4.2114573129        1.3999630696
  C         4.4001441663        3.3729399996        1.3388996016
  H         6.1831151766        4.1856218067        2.2516489145
  H         4.1823392068        2.6811974751        2.1508372951
  C        24.8650334672       21.1548554280        0.7416937922
  C        23.7411191318       20.3307929788        0.7886049719
  H        25.0564939930       21.8303440153        1.5722192373
  H        23.0756065515       20.3614571051        1.6493610739
  N        12.9748465088       10.1236271299       10.3562753392
  C        12.4488502891        9.4067038520        0.4025816937
  C        11.1979638295        8.6817084230        0.1824809208
  C        10.4320729067        8.8716815604        9.9071254801
  C        10.7208924187        7.7840960784        1.1619273346
  C         1.0953466352        2.8454203285        0.0626066697
  C         3.5350289877        3.4214988851        0.2317844800
  C         2.4239547072        2.4444179423        0.1418913355
  C         5.8042119786        5.1075593499        0.3549817173
  C         2.7980092615        1.1036349907        0.1077771579
  C         0.6795118290        4.2240981697        0.0478303061
  C         4.1596707315        0.6784607081        0.0822112528
  H        12.8843867957        9.3140235093        1.4100664401
  H        10.8013766658        9.5714908238        9.1611910115
  H        11.3104901263        7.6173521069        2.0613616743
  H         1.3521994217        5.0694171889        0.1034253195
  C        34.3997372467       27.7407706142        1.4002867445
  C        35.5073196236       28.5789979134        1.3386416244
  H        33.7242658193       27.7659233761        2.2521778194
  H        35.7259606812       29.2699255323        2.1514134688
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  H        14.8512173504       10.1209372367        1.5725668306
  H        16.8320180197       11.5898963074        1.6493611105
  N        26.9331255115       21.8258220904       10.3564262340
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  C        28.7097129334       23.2701367242        0.1825513833
  C        29.4761139074       23.0781257522        9.9072520109
  C        29.1868043800       24.1675232510        1.1620341150
  C        38.8131273991       29.1066554547        0.0621852242
  C        36.3726409657       28.5301582434        0.2310506721
  C        37.4842924340       29.5069242645        0.1393821682
  C        34.1035511714       26.8443141421        0.3551559942
  C        37.1094815487       30.8478551891        0.1107763226
  C        39.2288140111       27.7278227760        0.0485074955
  C        35.7492953666       31.2728102643        0.0818809334
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  H        29.1066752563       22.3784040114        9.1613230732
  H        28.5969053594       24.3338843197        2.0613847829
  H        38.5558479080       26.8824530478        0.1039094700
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  C        35.5082748377        3.3720327260        9.5531318096
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  H        35.7264323217        2.6804103670        8.7408443704
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  C        16.1657442249       20.3293812969       10.1037804870
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  H        16.8311934502       20.3599992356        9.2429023820
  N        26.9334676845       10.1246925521        0.5359422348
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  C        28.7104920902        8.6805074510       10.7097887450
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  C        29.1875550650        7.7831332727        9.7303205985
  C        38.8142404412        2.8439513200       10.8297406105
  C        36.3737331429        3.4208020405       10.6602969064
  C        37.4853048974        2.4436339042       10.7503506841
  C        34.1045217183        5.1064367155       10.5372226731
  C        37.1104747582        1.1030344707       10.7839158418
  C        39.2298446032        4.2226672626       10.8448158959
  C        35.7498429534        0.6771603345       10.8100350753
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  H        29.1069787466        9.5722183710        1.7310467321
  H        28.5976162575        7.6167464292        8.8310013770
  H        38.5570629213        5.0681337156       10.7891613929
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  C         4.3996304719       28.5782476997        9.5539724811
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  H         4.1813586117       29.2692052938        8.7411830630
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  C        23.7424372636       11.6203041917       10.1038110882
  H        25.0572710421       10.1205097788        9.3200287194
  H        23.0768369610       11.5900937690        9.2431087357
  N        12.9739326758       21.8272029825        0.5360713981
  C        12.4486491665       22.5440479431       10.4897135748
  C        11.1977190996       23.2690204882       10.7098334305
  C        10.4313253853       23.0789788501        0.9853181297
  C        10.7206499597       24.1666350595        9.7302962396
  C         1.0947105602       29.1052014798       10.8300639776
  C         3.5346323851       28.5295066426       10.6617262709
  C         2.4232908857       29.5062652958       10.7531317876
  C         5.8039275357       26.8431906603       10.5373763558
  C         2.7971462058       30.8474736077       10.7817877757
  C         0.6788355134       27.7263441641       10.8435204341
  C         4.1585270077       31.2719398918       10.8106450288
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  H        10.8006640898       22.3791979823        1.7312862915
  H        11.3102562636       24.3333662772        8.8308493726
  H         1.3517389769       26.8811098156       10.7882673607
  N        19.9530708734       17.9572721193        0.0008654330
  N        19.9545449068       13.9946943802        0.0007933123
  N        -0.0003819682       29.9624580817        0.0000787245
  N         0.0005311775        1.9893622266       -0.0000394583
  N        18.0058701957       15.9763788788       -0.0041038537
  N        21.9019584113       15.9756490055        0.0020125978
  N         1.9337062218        0.0008574868       -0.0055180310
  N        37.9745381649        0.0007048941        0.0048317416
 Co        19.9538265332       15.9760656885        0.0001182232
 Co         0.0001423002       -0.0002786094        0.0004157117
  C        14.4668060495       11.7402500586        4.0357290169
  C        15.5877527264       12.5604516152        4.0866915113
  H        13.7827700227       11.7766332490        3.1916380422
  H        15.8025650586       13.2550178550        3.2766175626
  C        34.9902402894       26.7771772065        4.7013235419
  C        36.1107366313       27.6038403029        4.6501073103
  H        34.8050244238       26.0887513454        3.8792872478
  H        36.7847760763       27.5655602720        3.7961329574
  N         6.9764323148        5.8564075268        5.9872785685
  C         7.5042382084        6.5706524003        5.0451962537
  C         8.7543575344        7.2974731565        5.2652733783
  C         9.5217728772        7.1040862785        6.4317063404
  C         9.2323725873        8.1932571430        4.2843645295
  C        18.8589187192       13.1346409065        5.3768124677
  C        16.4406073574       12.5329313829        5.2016214087
  C        17.5294835225       13.5366033581        5.3099558337
  C        14.1574904229       10.8591258716        5.0888869688
  C        17.1494507455       14.8772707857        5.3645576907
  C        19.2752739271       11.7571592615        5.3912953412
  C        15.7732510073       15.2967620688        5.4009686266
  H         7.0732990144        6.6539000142        4.0353773912
  H         9.1536709369        6.4016200741        7.1759825191
  H         8.6435473370        8.3579500718        3.3840209745
  H        18.6042673669       10.9073865195        5.3322425270
  C        25.4411460972       20.2107524169        4.0356959139
  C        24.3202435342       19.3907918756        4.0869024501
  H        26.1252170703       20.1746545348        3.1917510304
  H        24.1053085343       18.6963506944        3.2769464171
  C         4.9174508084        5.1736951658        4.7016104059
  C         3.7978247530        4.3466136954        4.6500165450
  H         5.1024947986        5.8616343579        3.8800041048
  H         3.1241903992        4.3854739669        3.7967854650
  N        32.9314050668       26.0935379425        5.9870122510
  C        32.4029724128       25.3792700869        5.0444581978
  C        31.1531163800       24.6528614754        5.2650514490
  C        30.3860225396       24.8460281734        6.4314578165
  C        30.6752381227       23.7573848262        4.2841820693
  C        21.0489817181       18.8160250855        5.3768983938
  C        23.4673302783       19.4178773946        5.2015891411
  C        22.3785121103       18.4141593134        5.3100991860
  C        25.7504180732       21.0916220779        5.0888962639
  C        22.7586418140       17.0734360022        5.3646982394
  C        20.6326249941       20.1935105022        5.3912703239
  C        24.1347755794       16.6539055547        5.4010367045
  H        32.8349332527       25.2974387761        4.0355177346
  H        30.7543165321       25.5485468451        7.1756009360
  H        31.2644576702       23.5931906264        3.3840437760
  H        21.3037102965       21.0432755608        5.3321891322
  C        25.4414948658       11.7399493060        6.8565930501
  C        24.3206016144       12.5599404285        6.8053538736
  H        26.1255340654       11.7760847709        7.7005701747
  H        24.1058634100       13.2544019558        7.6153368592
  C         4.9168357499       26.7772020772        6.1909681041
  C         3.7968481292       27.6044817402        6.2417955578
  H         5.1018799924       26.0888882435        7.0126532924
  H         3.1232429385       27.5653679566        7.0954370345
  N        32.9320198976        5.8571545004        4.9053422747
  C        32.4035728407        6.5713969752        5.8478737931
  C        31.1536600542        7.2978134912        5.6272626112
  C        30.3864787757        7.1046581948        4.4608693968
  C        30.6758002764        8.1932830180        6.6081622431
  C        21.0491558945       13.1346306180        5.5151729297
  C        23.4675818411       12.5328165972        5.6907192222
  C        22.3787025537       13.5364938165        5.5820345063
  C        25.7507686440       10.8590426777        5.8034216077
  C        22.7587224137       14.8772528994        5.5273337003
  C        20.6327468176       11.7571624070        5.5010288567
  C        24.1348245341       15.2969129426        5.4911489847
  H        32.8355169886        6.6532079469        6.8568716302
  H        30.7546896913        6.4021639037        3.7166613673
  H        31.2650291262        8.3574754487        7.5083148459
  H        21.3037884874       10.9073929340        5.5603383156
  C        14.4665918207       20.2103678279        6.8566174836
  C        15.5875338114       19.3901401678        6.8056086839
  H        13.7826203001       20.1739665635        7.7007460473
  H        15.8022572023       18.6955425829        7.6156908646
  C        34.9907362643        5.1739821232        6.1911739219
  C        36.1112721528        4.3471787145        6.2431650738
  H        34.8057310215        5.8621757166        7.0133609285
  H        36.7855896237        4.3854019696        7.0970159321
  N         6.9762383987       26.0940283922        4.9050726756
  C         7.5038158097       25.3798660068        5.8473428854
  C         8.7539915140       24.6530802114        5.6271477249
  C         9.5212830764       24.8465647022        4.4605326185
  C         9.2319831998       23.7573073188        6.6081412297
  C        18.8587598657       18.8160308132        5.5153303821
  C        16.4403874583       19.4177112175        5.6906592767
  C        17.5293187104       18.4140522765        5.5821796567
  C        14.1571976528       21.0915209985        5.8034796385
  C        17.1493774468       17.0733563013        5.5274847031
  C        19.2751498703       20.1935185371        5.5010079842
  C        15.7732050444       16.6537631087        5.4911726012
  H         7.0726825511       25.2966954899        6.8571325077
  H         9.1530816461       25.5490843035        3.7162666589
  H         8.6430779047       23.5926544158        7.5084657677
  H        18.6041714509       21.0432828734        5.5602693720
  C         5.5080061947        4.2095454504        6.8455781381
  C         4.3993306960        3.3715183956        6.7842609904
  H         6.1828162776        4.1846268876        7.6980518026
  H         4.1816305586        2.6814847767        7.5979252373
  C        24.8658905454       21.1551583578        6.1877970968
  C        23.7423114462       20.3309867375        6.2349613131
  H        25.0570791386       21.8309579579        7.0180495521
  H        23.0754916648       20.3611035529        7.0946864680
  N        12.9743379224       10.1237312363        4.9096485757
  C        12.4489188465        9.4057271316        5.8485565338
  C        11.1978285674        8.6807413793        5.6285926191
  C        10.4316154976        8.8722434826        4.4609745418
  C        10.7208902628        7.7831181001        6.6081099964
  C         1.0944082314        2.8424042404        5.5103918658
  C         3.5347526547        3.4215957868        5.6771921345
  C         2.4237770361        2.4457922740        5.5870698266
  C         5.8038034533        5.1065739559        5.8014371317
  C         2.7964637376        1.1049094518        5.5568157712
  C         0.6800728230        4.2218819018        5.4953934443
  C         4.1492479368        0.6354563654        5.5187736981
  H        12.8846642105        9.3130412927        6.8559834146
  H        10.8009928249        9.5721038258        3.7151085384
  H        11.3105788105        7.6163497175        7.5075213129
  H         1.3526005732        5.0678243256        5.5507236178
  C        34.3992298969       27.7401738293        6.8471552747
  C        35.5088166952       28.5777517493        6.7867013616
  H        33.7233937536       27.7652489051        7.6993267653
  H        35.7263649006       29.2701392369        7.5993146177
  C        15.0420332774       10.7950823490        6.1881500626
  C        16.1656663412       11.6195420808        6.2349106667
  H        14.8508667411       10.1190911972        7.0184456195
  H        16.8323890760       11.5890162175        7.0947837656
  N        26.9332861771       21.8268897254        4.9097879832
  C        27.4591138528       22.5449968080        5.8487353509
  C        28.7100646998       23.2698905055        5.6286526107
  C        29.4761075762       23.0786367897        4.4610886035
  C        29.1870285475       24.1672571571        6.6082258769
  C        38.8159281902       29.1091045285        5.5089168788
  C        36.3744997953       28.5274789189        5.6800267544
  C        37.4853350531       29.5054106872        5.5885030743
  C        34.1039533835       26.8435724878        5.8018376281
  C        37.1089029636       30.8456475737        5.5506512041
  C        39.2303901842       27.7287194862        5.4937592188
  C        35.7556687172       31.3146785134        5.5243710164
  H        27.0229481044       22.6370195744        6.8558434492
  H        29.1066595917       22.3788701759        3.7152564970
  H        28.5970340959       24.3336989344        7.5075217664
  H        38.5568705055       26.8831700538        5.5494367981
  C        34.4001304584        4.2100903437        4.0454899432
  C        35.5097499885        3.3724645637        4.1067904926
  H        33.7243183539        4.1852954934        3.1930710640
  H        35.7275683428        2.6808815815        3.2933407733
  C        15.0417147834       21.1556182671        4.7041786210
  C        16.1653884814       20.3311902259        4.6574282811
  H        14.8505361136       21.8315747847        3.8738465419
  H        16.8320947599       20.3618090703        3.7975487471
  N        26.9336739014       10.1238020784        5.9825388052
  C        27.4595281651        9.4056783329        5.0436347971
  C        28.7105157725        8.6807957306        5.2637268119
  C        29.4766489603        8.8720134257        6.4312745165
  C        29.1874673861        7.7834257127        4.2841414013
  C        38.8170981280        2.8409729363        5.3814518235
  C        36.3747763374        3.4224250192        5.2145375183
  C        37.4859392435        2.4443034606        5.3047290116
  C        34.1045578332        5.1069724823        5.0906877275
  C        37.1100553032        1.1050728316        5.3327615975
  C        39.2314806701        4.2215185519        5.3969715367
  C        35.7549051857        0.6367773836        5.3734248606
  H        27.0233571658        9.3136058388        4.0365169517
  H        29.1072924521        9.5717394719        7.1771649848
  H        28.5974761501        7.6169668104        3.3848419676
  H        38.5578296962        5.0670794123        5.3424201223
  C         5.5077298196       27.7403505780        4.0459985273
  C         4.3985029284       28.5781672108        4.1061988581
  H         6.1828630195       27.7658412996        3.1936632937
  H         4.1814116090       29.2699738598        3.2934522420
  C        24.8661514672       10.7954832437        4.7045754892
  C        23.7425390049       11.6196202046        4.6574325171
  H        25.0572749324       10.1197448433        3.8742791391
  H        23.0757019758       11.5894135075        3.7977269806
  N        12.9740205053       21.8269175544        5.9827105281
  C        12.4485803478       22.5448858369        5.0438106172
  C        11.1974347863       23.2698970711        5.2637665273
  C        10.4312741877       23.0783562530        6.4314957821
  C        10.7204454303       24.1675162786        4.2841331091
  C         1.0933914818       29.1086726910        5.3826034004
  C         3.5334838632       28.5285093939        5.2129880134
  C         2.4230191230       29.5061619106        5.3037904944
  C         5.8033685727       26.8437774404        5.0908652520
  C         2.7961760860       30.8455514735        5.3410962448
  C         0.6793022654       27.7288538704        5.3977648520
  C         4.1516849331       31.3142605233        5.3709178138
  H        12.8842268426       22.6376160839        4.0363427784
  H        10.8006277253       22.3785092990        7.1773912895
  H        11.3101006958       24.3343305427        3.3846968887
  H         1.3519507154       26.8828763544        5.3430191151
  N        19.9538640507       17.9609387290        5.4462455190
  N        19.9540301161       13.9897247766        5.4456911274
  N         0.0010146845       29.9692102116        5.4469362508
  N         0.0020835620        1.9811210566        5.4463075510
  N        18.0005073385       15.9753384621        5.4460063301
  N        21.9076038841       15.9753139050        5.4458859919
  N         1.9375085172       -0.0003647805        5.4578298059
  N        37.9680415223       -0.0021994701        5.4277401218
 Co        19.9539545132       15.9753196326        5.4459788400
 Co         0.0027582811       -0.0006241323        5.4490473533
  H        24.9781311463       17.3209729299       10.8146123811
  H        24.9771864472       14.6277981351        0.0766935510
  H        14.9301323254       14.6285312179       10.8154908842
  H        14.9305393995       17.3239558992        0.0780145045
  H        14.9216697879       17.3195304626        5.5247451910
  H        14.9217425921       14.6309297786        5.3676135309
  H        24.9863457422       14.6311182043        5.5247211607
  H        24.9862554906       17.3197793830        5.3676347247
