      82
 i =     2633, time =     1316.500, E =     -4871.2840861841
 Ga        10.0648730460        2.4492885155       -0.0846531443
 Ga         9.6096843726        2.7842801908        3.0833231263
 Ga        10.3452574523        3.0762318172        6.5328715171
 Ga         9.7621159823        3.6993111143        9.1884641212
 Ga         9.1461543486        5.3356997586       -0.2606887557
 Ga         9.3265341072        5.5558822485        2.8038407365
 Ga         8.7310080827        6.4606589432        6.2545804922
 Ga         8.8764590583        6.6312474796        9.4907380089
 Ga         9.1951737526        8.4816550247        0.0022476261
 Ga        10.1080508490        8.7268452344        3.6727167292
 Ga         5.7300546671        9.6336331423        6.4253650376
 Ga         8.7853672258        9.3912345645        9.6370503729
 Ga         2.3472942082        1.6178408670        0.1121047557
 Ga         2.3757782536        1.3362683339        3.4934475139
 Ga         2.1550397096        0.0864980112        6.6714072066
 Ga         0.6186081004        8.4338197885        9.6202632057
 Ga         1.4171051579        4.2433201591        0.2629904086
 Ga         1.4509932056        3.9658301652        3.2864494992
 Ga         2.3729700927        2.8585603726        6.2771777443
 Ga         1.7931285372        0.0920620047        9.4930682046
 Ga         0.8743367205        6.8421248995        0.1872384588
 Ga         1.1142430815        6.8372980477        3.2313612124
 Ga         0.5590899365        5.6833473018        5.9966527242
 Ga         1.9424354051        2.8717848798        9.2058125276
 Ga         1.8924697684        9.2414347688        0.1608977923
 Ga         2.4353935703        9.4191761676        2.9746870102
 Ga         8.4830065878        9.1198429789        6.7401067244
 Ga         0.8503001241        5.6501712479        9.7150830071
 Ga         5.0633678625        1.5401067304       -0.0913361423
 Ga         5.2890990128        1.4072191910        3.3720096977
 Ga         4.9120126750        1.4794507396        6.3857761958
 Ga         4.4862208007        0.4642868800        9.9093995795
 Ga         4.0642718997        4.2045440565        0.0906815883
 Ga         4.0938482626        3.8784828104        3.0020742347
 Ga         5.1519183096        4.0832134016        6.6037983720
 Ga         4.8348508866        2.9823997049        9.3405191203
 Ga         3.7624390862        6.9565258514        0.1238721436
 Ga         3.6124239855        6.7323619981        3.4289271466
 Ga         2.9742801439        5.5534090168        6.9568492414
 Ga         3.5300358890        5.2608267033        9.6601502468
 Ga         4.5792608634        9.6518752306        0.0977133074
 Ga         5.1904572269        9.3485238185        3.0569944442
 Ga         0.5055512703        8.3887396981        6.4757755454
 Ga         3.5293179420        8.1414097381        9.5794626454
 Ga         7.8142785341        0.2600721438       -0.5780334546
 Ga         7.6540919096        0.1586367655        2.9128376525
 Ga         7.5182837903        1.2277507884        6.4747846149
 Ga         7.2895637604        1.0771896182        9.4218810893
 Ga         7.2724401018        3.0346476078        0.1255092415
 Ga         6.9871522587        3.4363264793        2.9766590348
 Ga         7.7511509472        4.0386238950        6.0494194594
 Ga         7.1498676612        4.0478664614        9.9610394272
 Ga         6.2865884879        5.6801120280       -0.0042241397
 Ga         6.2917673477        6.0534856547        3.0319200454
 Ga         5.9079758027        6.8098533028        6.5190219381
 Ga         6.0811923175        6.4438936385        9.3991469345
 Ga         6.6262254787        8.2770266480       -0.2908339146
 Ga         7.7170613886        8.1556435894        2.7270427084
 Ga         3.3973237147        8.2847361486        6.6197223838
 Ga         6.1446372547        9.1329139051        9.6412685054
 Ga        10.5664045178        0.0956114650       -0.0559043471
 Ga        10.4905630230        0.3957532383        2.8350309116
 Ga        10.2439622082        0.5696141067        6.2707847579
 Ga         9.9741840520        1.1651288885        9.7353312722
  C         3.0485273763        5.4537258602       15.5389829327
  C         2.7440892310        6.3723359789       16.5771337550
  C         3.1856946384        6.0426646859       17.8851391274
  C         3.9644028656        4.8527745477       18.1901493739
  C         4.3445293527        3.9984463600       17.0801817436
  C         3.7966991355        4.2148046045       15.8363484559
  S         4.3041579982        2.9542034736       14.6164726872
  S         5.2545552946        2.5001089618       17.6349856794
  S         4.5118827171        4.6909100034       19.8826803395
  S         3.0501552668        7.1998705880       19.2650420151
  S         1.7995952991        7.8207857196       16.0032460992
  S         2.0007625461        5.6787678303       14.0051804111
  H         3.8983661120        3.9629917063       13.2335675257
  H         5.8078902044        2.0093661924       16.4669426646
  H         5.4645399941        3.6710350823       19.5900599528
  H         1.6340597766        6.8519564109       19.7677057439
  H         1.8739388266        8.4329503997       17.1616765748
  H         3.1753840074        5.5445992188       13.0145144001
      82
 i =     2634, time =     1317.000, E =     -4871.2901081274
 Ga        10.0407924655        2.4413717290       -0.0859982183
 Ga         9.5868746968        2.7794037663        3.0740026249
 Ga        10.3200482388        3.0693450707        6.5170988275
 Ga         9.7367693760        3.6903695820        9.1661347791
 Ga         9.1244349484        5.3232373038       -0.2595535018
 Ga         9.3051483037        5.5422036833        2.7974052493
 Ga         8.7090070097        6.4443012006        6.2401847233
 Ga         8.8569635600        6.6145906176        9.4680666384
 Ga         9.1707822939        8.4602218284        0.0026464729
 Ga        10.0832786673        8.7071319468        3.6642647343
 Ga         5.7154505038        9.6100583683        6.4113161359
 Ga         8.7634651602        9.3664976520        9.6132868739
 Ga         2.3409604805        1.6145147807        0.1095170622
 Ga         2.3688712462        1.3318285156        3.4847650741
 Ga         2.1503202883        0.0856095887        6.6547334209
 Ga         0.6173422692        8.4143689905        9.5959249569
 Ga         1.4124372065        4.2320149931        0.2610383513
 Ga         1.4492621556        3.9577598791        3.2790493968
 Ga         2.3679640589        2.8516946302        6.2621229585
 Ga         1.7907820300        0.0910839989        9.4684034530
 Ga         0.8731490689        6.8247425648        0.1874526961
 Ga         1.1117572980        6.8218186785        3.2238239029
 Ga         0.5584188509        5.6709360394        5.9826090053
 Ga         1.9387464999        2.8652017429        9.1825480234
 Ga         1.8879838349        9.2189194558        0.1612515060
 Ga         2.4273129657        9.3967204243        2.9647891870
 Ga         8.4622526985        9.0992315774        6.7216465115
 Ga         0.8474838291        5.6363784737        9.6915319002
 Ga         5.0514726339        1.5378480094       -0.0905593108
 Ga         5.2759159697        1.4050000106        3.3635771262
 Ga         4.9011734815        1.4747991435        6.3706461708
 Ga         4.4744273041        0.4631722314        9.8852664827
 Ga         4.0548745305        4.1944868738        0.0919244208
 Ga         4.0833598782        3.8684467642        2.9950002883
 Ga         5.1400550603        4.0734267702        6.5864012761
 Ga         4.8228070686        2.9763785697        9.3173220347
 Ga         3.7530573976        6.9392614371        0.1241016354
 Ga         3.6035636942        6.7147777243        3.4207135659
 Ga         2.9680737751        5.5392656283        6.9396853646
 Ga         3.5218661804        5.2456960879        9.6369414430
 Ga         4.5685999196        9.6287789238        0.0964744012
 Ga         5.1806062645        9.3256406250        3.0492289944
 Ga         0.5042862219        8.3681327557        6.4589765000
 Ga         3.5212749349        8.1211858013        9.5576842759
 Ga         7.7956912903        0.2588162383       -0.5765241154
 Ga         7.6369546526        0.1578520351        2.9064568706
 Ga         7.5013710931        1.2237611212        6.4591913974
 Ga         7.2719324363        1.0749447375        9.3967007900
 Ga         7.2533121470        3.0249927402        0.1237384095
 Ga         6.9698691051        3.4285773815        2.9691467026
 Ga         7.7306824169        4.0289870058        6.0366945632
 Ga         7.1307021132        4.0381050754        9.9356743145
 Ga         6.2708778610        5.6666458076       -0.0038716371
 Ga         6.2777300825        6.0382044335        3.0251299610
 Ga         5.8917512060        6.7938508900        6.5036697498
 Ga         6.0659011887        6.4280814386        9.3734138702
 Ga         6.6108230413        8.2573279526       -0.2891669904
 Ga         7.6974463059        8.1355017659        2.7188728655
 Ga         3.3888461217        8.2640381595        6.6026911224
 Ga         6.1280912166        9.1126589257        9.6170408896
 Ga        10.5411084033        0.0955804258       -0.0547802781
 Ga        10.4657397584        0.3963884753        2.8273743000
 Ga        10.2178709026        0.5685550467        6.2558905046
 Ga         9.9500431815        1.1613342912        9.7099683937
  C         3.0402832035        5.4470899835       15.4954034109
  C         2.7417673593        6.3619443982       16.5395338683
  C         3.1777910269        6.0269711845       17.8368163348
  C         3.9525559455        4.8354393210       18.1434032060
  C         4.3315174736        3.9902448617       17.0371027211
  C         3.7893416713        4.2013276988       15.7976811685
  S         4.2924240741        2.9450082992       14.5807411097
  S         5.2404149288        2.4943057324       17.5936705228
  S         4.4990429076        4.6790503087       19.8331582439
  S         3.0438017308        7.1814639121       19.2162054904
  S         1.7942687075        7.8017607698       15.9647005304
  S         1.9961055879        5.6643073814       13.9723371193
  H         3.8898865938        3.9409334661       13.2025199210
  H         5.7984067743        2.0083761914       16.4294107805
  H         5.4567652704        3.6593252376       19.5465796138
  H         1.6181677378        6.8478817887       19.7230577807
  H         1.8687045071        8.4146246755       17.1064786888
  H         3.1740450443        5.5390968875       12.9833068692
      82
 i =     2635, time =     1317.500, E =     -4871.3012148201
 Ga        10.0059332656        2.4309142644       -0.0872347970
 Ga         9.5537895994        2.7715487745        3.0614042917
 Ga        10.2837767164        3.0591914436        6.4943430420
 Ga         9.7010047634        3.6774854023        9.1339880193
 Ga         9.0929381623        5.3050696121       -0.2581352578
 Ga         9.2737838875        5.5225895365        2.7879708232
 Ga         8.6776848516        6.4210656609        6.2191061575
 Ga         8.8279627449        6.5908467190        9.4352431587
 Ga         9.1365892329        8.4297114232        0.0030410576
 Ga        10.0476992289        8.6780706050        3.6518789688
 Ga         5.6947399284        9.5761723125        6.3903839641
 Ga         8.7321787950        9.3317273018        9.5792185706
 Ga         2.3321144392        1.6094522539        0.1068281774
 Ga         2.3594417442        1.3259730366        3.4723462958
 Ga         2.1432984464        0.0846353658        6.6309312529
 Ga         0.6154255952        8.3858797790        9.5613079443
 Ga         1.4062569717        4.2161930060        0.2588133347
 Ga         1.4459472151        3.9454431229        3.2681208103
 Ga         2.3604071343        2.8417658786        6.2403494748
 Ga         1.7865010565        0.0900225645        9.4336125548
 Ga         0.8710069605        6.8000424389        0.1874604638
 Ga         1.1080538755        6.7990006067        3.2128171442
 Ga         0.5571444965        5.6524156903        5.9621580127
 Ga         1.9329578166        2.8555330248        9.1494691926
 Ga         1.8814910531        9.1865308992        0.1614235544
 Ga         2.4166519916        9.3641925983        2.9517508991
 Ga         8.4324320735        9.0688563510        6.6959931229
 Ga         0.8437652443        5.6165518361        9.6575836024
 Ga         5.0341614137        1.5339236881       -0.0896864505
 Ga         5.2570624774        1.4012569977        3.3515415210
 Ga         4.8850534639        1.4685733467        6.3486909411
 Ga         4.4578279820        0.4615508858        9.8505287843
 Ga         4.0411271847        4.1799143362        0.0930604009
 Ga         4.0684982055        3.8542731305        2.9847122982
 Ga         5.1226748059        4.0592736340        6.5619591237
 Ga         4.8056038093        2.9671563421        9.2841516003
 Ga         3.7396464705        6.9145647804        0.1241955819
 Ga         3.5908699701        6.6900192675        3.4088324320
 Ga         2.9586863047        5.5191963493        6.9150608003
 Ga         3.5099215630        5.2249870811        9.6034102629
 Ga         4.5530276861        9.5953744444        0.0951481233
 Ga         5.1651829219        9.2927659356        3.0382026002
 Ga         0.5024817458        8.3385698761        6.4352722306
 Ga         3.5094422655        8.0922653002        9.5256508827
 Ga         7.7687321481        0.2572887548       -0.5743765158
 Ga         7.6116303317        0.1569104189        2.8969551299
 Ga         7.4764231960        1.2184813822        6.4366799529
 Ga         7.2464884450        1.0715634208        9.3614715168
 Ga         7.2264420464        3.0121199072        0.1218408670
 Ga         6.9451269445        3.4171540819        2.9584688147
 Ga         7.7019486792        4.0150097453        6.0174783685
 Ga         7.1039273067        4.0240063660        9.8996553780
 Ga         6.2484648804        5.6470903586       -0.0035238066
 Ga         6.2569392316        6.0164505989        3.0151001754
 Ga         5.8692247052        6.7705662335        6.4813447988
 Ga         6.0440971188        6.4053947542        9.3376665023
 Ga         6.5883452600        8.2287740584       -0.2871941146
 Ga         7.6695912166        8.1066498669        2.7077974797
 Ga         3.3767287805        8.2344926952        6.5785879847
 Ga         6.1049923637        9.0826146590        9.5825062243
 Ga        10.5045333037        0.0954118738       -0.0535943259
 Ga        10.4297036360        0.3965787855        2.8166953367
 Ga        10.1808417661        0.5668568190        6.2342880796
 Ga         9.9152577231        1.1563000604        9.6742063973
  C         3.0286819752        5.4342167855       15.4352124110
  C         2.7364679517        6.3446261503       16.4839613698
  C         3.1665933719        6.0048027841       17.7696880840
  C         3.9364655351        4.8132109199       18.0770247743
  C         4.3139444950        3.9776134271       16.9763814744
  C         3.7778301893        4.1835832372       15.7415834602
  S         4.2759909857        2.9329020225       14.5291911692
  S         5.2206576311        2.4858418864       17.5334276015
  S         4.4814636859        4.6620979723       19.7623328104
  S         3.0339455156        7.1553265518       19.1468326850
  S         1.7870617375        7.7742814866       15.9090097307
  S         1.9895737744        5.6437270205       13.9244461282
  H         3.8789444067        3.9098291079       13.1640796088
  H         5.7817612266        2.0066711103       16.3750435741
  H         5.4406107945        3.6459995666       19.4826011582
  H         1.6074107735        6.8377579837       19.6545700126
  H         1.8616879948        8.3891262312       17.0367832095
  H         3.1641168295        5.5280253833       12.9420129550
      82
 i =     2636, time =     1318.000, E =     -4871.3151014277
 Ga         9.9623662476        2.4184265460       -0.0883777539
 Ga         9.5124066126        2.7612842722        3.0461660051
 Ga        10.2385727670        3.0464039848        6.4659481968
 Ga         9.6568351298        3.6614202329        9.0939158125
 Ga         9.0535459061        5.2822938455       -0.2564891658
 Ga         9.2343592425        5.4981842204        2.7761136751
 Ga         8.6388399395        6.3922836954        6.1926307481
 Ga         8.7912797907        6.5613817424        9.3942205037
 Ga         9.0944918948        8.3918712137        0.0034310055
 Ga        10.0033935607        8.6414556321        3.6363148066
 Ga         5.6691038780        9.5339584200        6.3638882000
 Ga         8.6933178247        9.2888601052        9.5368306257
 Ga         2.3212402771        1.6029850849        0.1040659513
 Ga         2.3479813078        1.3189789213        3.4569110714
 Ga         2.1344173822        0.0835944435        6.6013747766
 Ga         0.6129851221        8.3500859255        9.5183948155
 Ga         1.3988576383        4.1967293223        0.2563712414
 Ga         1.4413427393        3.9296939497        3.2543396884
 Ga         2.3507862167        2.8293624389        6.2131486073
 Ga         1.7806509467        0.0888985078        9.3906537969
 Ga         0.8680887298        6.7694343583        0.1872988427
 Ga         1.1033613380        6.7702496763        3.1990058024
 Ga         0.5553802243        5.6289531926        5.9365329806
 Ga         1.9254673160        2.8433691776        9.1084728747
 Ga         1.8733806395        9.1461718847        0.1614448150
 Ga         2.4039161317        9.3235304630        2.9361898404
 Ga         8.3952910660        9.0305921939        6.6645382439
 Ga         0.8393212644        5.5918546535        9.6152381255
 Ga         5.0124751481        1.5286483276       -0.0887377366
 Ga         5.2336277391        1.3962779255        3.3365974762
 Ga         4.8646614382        1.4610792475        6.3212245220
 Ga         4.4373478229        0.4595185396        9.8072270682
 Ga         4.0238654908        4.1616914491        0.0941045390
 Ga         4.0501073437        3.8367616355        2.9718278582
 Ga         5.1008367908        4.0415942447        6.5318339306
 Ga         4.7842368144        2.9553434018        9.2429316366
 Ga         3.7229811441        6.8838687256        0.1241785463
 Ga         3.5750875168        6.6594747207        3.3939898448
 Ga         2.9467277204        5.4943460511        6.8844081714
 Ga         3.4949275871        5.1997881181        9.5615458503
 Ga         4.5334856780        9.5536487643        0.0937563540
 Ga         5.1452490148        9.2518240971        3.0245457578
 Ga         0.5002419569        8.3017786670        6.4059983178
 Ga         3.4945451787        8.0563248401        9.4853321133
 Ga         7.7350084779        0.2555443880       -0.5717106282
 Ga         7.5796925054        0.1558459708        2.8849305079
 Ga         7.4449862629        1.2121662698        6.4085825000
 Ga         7.2147319197        1.0672670135        9.3181375368
 Ga         7.1933301952        2.9966579256        0.1198443375
 Ga         6.9143647930        3.4027628169        2.9452389837
 Ga         7.6665492755        3.9975226125        5.9930129689
 Ga         7.0710194563        4.0064032584        9.8550361523
 Ga         6.2206451095        5.6226139703       -0.0031825326
 Ga         6.2306871803        5.9894711396        3.0024543992
 Ga         5.8416154154        6.7413997701        6.4533876449
 Ga         6.0170332823        6.3771607335        9.2938446403
 Ga         6.5601545021        8.1930677336       -0.2849778149
 Ga         7.6350865737        8.0707675413        2.6943812467
 Ga         3.3616713121        8.1978063582        6.5487775400
 Ga         6.0766093979        9.0446580283        9.5396512972
 Ga        10.4588537944        0.0951232091       -0.0523605075
 Ga        10.3846130228        0.3964036002        2.8035790954
 Ga        10.1349865874        0.5646354120        6.2072672131
 Ga         9.8718810625        1.1502675777        9.6300524648
  C         3.0143841613        5.4161829312       15.3616428984
  C         2.7287218334        6.3216874018       16.4137537000
  C         3.1527635027        5.9774039193       17.6875101919
  C         3.9169447125        4.7871288429       17.9947985910
  C         4.2927481412        3.9613249763       16.9015474226
  C         3.7629020079        4.1624894456       15.6712621807
  S         4.2557516623        2.9184849531       14.4648275731
  S         5.1963688641        2.4752272550       17.4578936959
  S         4.4600764918        4.6410220800       19.6743101527
  S         3.0212167311        7.1229522977       19.0608997662
  S         1.7783394940        7.7399556335       15.8394422498
  S         1.9815684954        5.6182007395       13.8643810811
  H         3.8663219033        3.8705821995       13.1209170006
  H         5.7592808657        2.0045007662       16.3069595298
  H         5.4172821801        3.6316935748       19.4020902998
  H         1.6020299424        6.8228430163       19.5663140389
  H         1.8533197044        8.3586384746       16.9569032424
  H         3.1463306752        5.5125094196       12.8931455372
      82
 i =     2637, time =     1318.500, E =     -4871.3297755061
 Ga         9.9133843584        2.4046967804       -0.0894684251
 Ga         9.4658726052        2.7495367928        3.0292800372
 Ga        10.1878181341        3.0319952774        6.4340503028
 Ga         9.6074384710        3.6433845652        9.0489229650
 Ga         9.0092530127        5.2566586190       -0.2546966853
 Ga         9.1899355956        5.4708031891        2.7627534764
 Ga         8.5953196803        6.3600626915        6.1628103598
 Ga         8.7498343194        6.5283588065        9.3481048566
 Ga         9.0474801983        8.3494664115        0.0038204353
 Ga         9.9536643475        8.6001536485        3.6187773413
 Ga         5.6404102952        9.4865645294        6.3339429766
 Ga         8.6497501082        9.2409495620        9.4892715701
 Ga         2.3090995659        1.5956472017        0.1012476629
 Ga         2.3352574163        1.3112726312        3.4396002645
 Ga         2.1243869379        0.0825092511        6.5682409627
 Ga         0.6102256376        8.3097530424        9.4703230395
 Ga         1.3906907937        4.1750026227        0.2537859274
 Ga         1.4359371911        3.9118231319        3.2387859191
 Ga         2.3398833404        2.8154194875        6.1825735709
 Ga         1.7738353974        0.0877361031        9.3426185614
 Ga         0.8646879844        6.7351485186        0.1870345341
 Ga         1.0980447752        6.7378110828        3.1834490266
 Ga         0.5533141845        5.6024178519        5.9076989121
 Ga         1.9169185512        2.8296522867        9.0625617672
 Ga         1.8642725511        9.1008638183        0.1613731881
 Ga         2.3898829507        9.2778167710        2.9190562045
 Ga         8.3536016700        8.9874345947        6.6294675287
 Ga         0.8344239346        5.5641339392        9.5676722492
 Ga         4.9880721356        1.5225383265       -0.0877385519
 Ga         5.2073373669        1.3905332861        3.3198453881
 Ga         4.8416117517        1.4527906979        6.2903383397
 Ga         4.4144451952        0.4572269582        9.7586011810
 Ga         4.0044222860        4.1411934679        0.0950980519
 Ga         4.0295215395        3.8171753831        2.9573303799
 Ga         5.0762309093        4.0217247152        6.4981731382
 Ga         4.7602842628        2.9419239443        9.1967119761
 Ga         3.7042890952        6.8494447176        0.1240956960
 Ga         3.5573985580        6.6253347169        3.3773084379
 Ga         2.9331789677        5.4665255046        6.8499991246
 Ga         3.4780416031        5.1718006131        9.5145102890
 Ga         4.5114743887        9.5067618478        0.0923223915
 Ga         5.1225235894        9.2058696001        3.0092558124
 Ga         0.4977318404        8.2605004830        6.3732635837
 Ga         3.4777415329        8.0160223035        9.4398735337
 Ga         7.6970775849        0.2536628668       -0.5687150249
 Ga         7.5436570375        0.1547081166        2.8713409948
 Ga         7.4095315416        1.2052088991        6.3770167629
 Ga         7.1790459842        1.0624117459        9.2697600021
 Ga         7.1563427340        2.9795792116        0.1177761860
 Ga         6.8798647692        3.3865322888        2.9304287287
 Ga         7.6270052972        3.9778462571        5.9652933445
 Ga         7.0343022525        3.9866192934        9.8050639684
 Ga         6.1894712661        5.5950758364       -0.0028469242
 Ga         6.2010408503        5.9592398448        2.9881897753
 Ga         5.8108382595        6.7085822484        6.4219331806
 Ga         5.9866934539        6.3454855655        9.2449963347
 Ga         6.5284231882        8.1529181424       -0.2826058856
 Ga         7.5964483476        8.0305187511        2.6795028445
 Ga         3.3447820430        8.1566830820        6.5154158682
 Ga         6.0449381610        9.0017917617        9.4916219272
 Ga        10.4075284176        0.0947443558       -0.0510892306
 Ga        10.3339037605        0.3960069045        2.7889459010
 Ga        10.0836451048        0.5620783481        6.1768803909
 Ga         9.8231759061        1.1436089701        9.5806746891
  C         2.9984104900        5.3947873917       15.2797443183
  C         2.7194350540        6.2952633752       16.3342779267
  C         3.1373473940        5.9467408385       17.5961615287
  C         3.8952630280        4.7587676915       17.9026899048
  C         4.2693700827        3.9426446024       16.8181854309
  C         3.7457740777        4.1394432865       15.5918315886
  S         4.2331054693        2.9026958973       14.3924175060
  S         5.1692552220        2.4632768653       17.3728600654
  S         4.4363378924        4.6173568866       19.5755939745
  S         3.0066258448        7.0866998356       18.9646960332
  S         1.7686747369        7.7013425079       15.7612150026
  S         1.9727353402        5.5895825325       13.7967224148
  H         3.8533138918        3.8243523551       13.0774117874
  H         5.7330892647        2.0023772540       16.2301951326
  H         5.3887820880        3.6173717847       19.3114158232
  H         1.6023151454        6.8053508297       19.4647918407
  H         1.8442390814        8.3262881812       16.8728982457
  H         3.1218769364        5.4944457980       12.8407750645
      82
 i =     2638, time =     1319.000, E =     -4871.3413671376
 Ga         9.8629519944        2.3906880297       -0.0905455711
 Ga         9.4179745799        2.7374089729        3.0119554100
 Ga        10.1355872824        3.0171806107        6.4012220830
 Ga         9.5566548910        3.6248362227        9.0026292084
 Ga         8.9636636279        5.2302668452       -0.2528593885
 Ga         9.1441913370        5.4426348257        2.7489956147
 Ga         8.5505600901        6.3269460695        6.1321106125
 Ga         8.7071284211        6.4943877107        9.3006356637
 Ga         8.9991710165        8.3058342946        0.0042113367
 Ga         9.9024918867        8.5576071123        3.6007152378
 Ga         5.6109143134        9.4377840616        6.3030840291
 Ga         8.6049345483        9.1916883740        9.4403374391
 Ga         2.2966143861        1.5880774020        0.0984113008
 Ga         2.3222027255        1.3033767328        3.4217894970
 Ga         2.1140583691        0.0814116702        6.5341558721
 Ga         0.6073920846        8.2682054367        9.4208792605
 Ga         1.3823095396        4.1526808827        0.2511559370
 Ga         1.4303064000        3.8933981504        3.2227564620
 Ga         2.3286351892        2.8010630775        6.1510967251
 Ga         1.7667672077        0.0865699164        9.2932425117
 Ga         0.8611516354        6.6998772843        0.1867429376
 Ga         1.0925426279        6.7043814494        3.1674204097
 Ga         0.5511680463        5.5750516770        5.8780188286
 Ga         1.9080794044        2.8155145521        9.0153594452
 Ga         1.8549127507        9.0542469579        0.1612727500
 Ga         2.3755046575        9.2307621196        2.9015139585
 Ga         8.3107043002        8.9429809139        6.5934288405
 Ga         0.8294064200        5.5356152325        9.5187125992
 Ga         4.9629472516        1.5162049274       -0.0867236908
 Ga         5.1802727904        1.3845810814        3.3026125372
 Ga         4.8178412822        1.4442863897        6.2585490173
 Ga         4.3908836192        0.4548589107        9.7085544980
 Ga         3.9843997922        4.1200761518        0.0960802057
 Ga         4.0083521461        3.7970404774        2.9424027786
 Ga         5.0508883014        4.0012737044        6.4635730962
 Ga         4.7356494886        2.9280748827        9.1491701221
 Ga         3.6850511332        6.8140317753        0.1239975026
 Ga         3.5392277667        6.5902470571        3.3601399771
 Ga         2.9192143365        5.4379207797        6.8145721504
 Ga         3.4606549578        5.1430908899        9.4661108884
 Ga         4.4887981836        9.4585177307        0.0908817088
 Ga         5.0990576888        9.1585834451        2.9935367822
 Ga         0.4951504765        8.2180393746        6.3396160008
 Ga         3.4604224529        7.9745628422        9.3930536948
 Ga         7.6580174314        0.2517447924       -0.5656181659
 Ga         7.5065439856        0.1535592043        2.8573357016
 Ga         7.3730260588        1.1980900823        6.3445327567
 Ga         7.1423011555        1.0574239070        9.2200432027
 Ga         7.1183404080        2.9620717604        0.1156803369
 Ga         6.8443782872        3.3698177915        2.9152102926
 Ga         7.5863654644        3.9575705001        5.9367085103
 Ga         6.9965877244        3.9662484889        9.7536592023
 Ga         6.1574192296        5.5667133958       -0.0025183054
 Ga         6.1704813547        5.9281387049        2.9735032576
 Ga         5.7792139456        6.6747971377        6.3895499058
 Ga         5.9554712904        6.3129076037        9.1948150971
 Ga         6.4957632534        8.1115860626       -0.2801907746
 Ga         7.5567137524        7.9891150331        2.6642322852
 Ga         3.3273978163        8.1143844018        6.4811071311
 Ga         6.0123945985        8.9576189910        9.4422141433
 Ga        10.3547207324        0.0943103226       -0.0498000990
 Ga        10.2817100197        0.3955504870        2.7739101398
 Ga        10.0308492132        0.5594093899        6.1455979305
 Ga         9.7730719700        1.1367794764        9.5299024092
  C         2.9819935236        5.3721596495       15.1956381111
  C         2.7096724393        6.2678913217       16.2519973018
  C         3.1216022200        5.9151909299       17.5027435201
  C         3.8729674295        4.7300569779       17.8079051543
  C         4.2455560119        3.9230939607       16.7330161968
  C         3.7279106418        4.1161387880       15.5094762043
  S         4.2097486884        2.8866774561       14.3177098057
  S         5.1413821748        2.4509708732       17.2852932346
  S         4.4120133799        4.5929570718       19.4740286358
  S         2.9913884064        7.0494178841       18.8658109574
  S         1.7587652812        7.6615337360       15.6806254303
  S         1.9638445883        5.5601108576       13.7269826824
  H         3.8414352261        3.7727228618       13.0386780989
  H         5.7057269194        2.0008811547       16.1507839948
  H         5.3575831656        3.6041234722       19.2182115354
  H         1.6085104689        6.7878421153       19.3578867505
  H         1.8351916922        8.2955338467       16.7916516602
  H         3.0923019233        5.4760515368       12.7896930583
      82
 i =     2639, time =     1319.500, E =     -4871.3490173925
 Ga         9.8136879807        2.3770435828       -0.0916299650
 Ga         9.3712138996        2.7256237763        2.9949968445
 Ga        10.0845734984        3.0027617711        6.3691630586
 Ga         9.5070274070        3.6067386787        8.9574272802
 Ga         8.9191583153        5.2045067886       -0.2510466839
 Ga         9.0995540266        5.4151263171        2.7355692162
 Ga         8.5068343259        6.2946168634        6.1021586351
 Ga         8.6654700002        6.4611950266        9.2542830961
 Ga         8.9519619322        8.2631830105        0.0046037065
 Ga         9.8525074932        8.5160868820        3.5830846405
 Ga         5.5821084385        9.3901248491        6.2729824430
 Ga         8.5611591604        9.1435233179        9.3925383951
 Ga         2.2843961476        1.5806959299        0.0955891088
 Ga         2.3094371418        1.2956403381        3.4043889660
 Ga         2.1039930039        0.0803248390        6.5008563686
 Ga         0.6046455862        8.2276370528        9.3725694050
 Ga         1.3740828460        4.1308693637        0.2485504647
 Ga         1.4248252755        3.8754500851        3.2071068683
 Ga         2.3176585231        2.7870372852        6.1203511572
 Ga         1.7599115049        0.0854252491        9.2449998959
 Ga         0.8577059630        6.6654025831        0.1864718602
 Ga         1.0871439647        6.6717398702        3.1517609626
 Ga         0.5490859343        5.5483323043        5.8490529112
 Ga         1.8994541722        2.8017032016        8.9692636842
 Ga         1.8457937716        9.0087275849        0.1611833328
 Ga         2.3614169851        9.1848173093        2.8843402526
 Ga         8.2688070224        8.8996041876        6.5581785691
 Ga         0.8244914780        5.5077697164        9.4708885466
 Ga         4.9384174080        1.5100475678       -0.0857178223
 Ga         5.1538107195        1.3787864930        3.2857769768
 Ga         4.7946265644        1.4359518084        6.2275187380
 Ga         4.3678314675        0.4525352933        9.6596676881
 Ga         3.9648555630        4.0994333339        0.0970717023
 Ga         3.9876661033        3.7773676063        2.9278265094
 Ga         5.0261494253        3.9813039849        6.4297540562
 Ga         4.7115912872        2.9145697372        9.1027384124
 Ga         3.6662467397        6.7794413845        0.1239157872
 Ga         3.5215173969        6.5559652999        3.3433776050
 Ga         2.9056065526        5.4099790079        6.7799384615
 Ga         3.4436858352        5.1150319340        9.4188638599
 Ga         4.4666480257        9.4114299572        0.0894604611
 Ga         5.0761977040        9.1123988446        2.9781856002
 Ga         0.4926295213        8.1765799002        6.3067431198
 Ga         3.4435057031        7.9340661522        9.3473659595
 Ga         7.6198609740        0.2498586417       -0.5625717220
 Ga         7.4703449365        0.1524419381        2.8436717107
 Ga         7.3374269917        1.1911305640        6.3128153291
 Ga         7.1063944061        1.0525841930        9.1714422699
 Ga         7.0812184758        2.9449276372        0.1135902149
 Ga         6.8097248787        3.3535131380        2.9003593404
 Ga         7.5466500007        3.9377453255        5.9088310074
 Ga         6.9597402310        3.9463440956        9.7034171798
 Ga         6.1261270515        5.5390043804       -0.0021988883
 Ga         6.1406446998        5.8977437642        2.9591843798
 Ga         5.7482821171        6.6418161760        6.3579334184
 Ga         5.9249507649        6.2811051294        9.1457511348
 Ga         6.4638986873        8.0712251387       -0.2778104306
 Ga         7.5178930839        7.9486800618        2.6492815949
 Ga         3.3104027974        8.0730677090        6.4475755437
 Ga         5.9805806589        8.9145150806        9.3939394641
 Ga        10.3031813498        0.0938428656       -0.0485098074
 Ga        10.2307621132        0.3951367487        2.7592105302
 Ga         9.9792677937        0.5567752675        6.1150511040
 Ga         9.7241663588        1.1300826772        9.4802718770
  C         2.9659655720        5.3496806525       15.1133971010
  C         2.7001160879        6.2412378729       16.1711584536
  C         3.1063559257        5.8843304541       17.4119797837
  C         3.8510848325        4.7022973935       17.7152416876
  C         4.2224768012        3.9036568073       16.6504599637
  C         3.7102682745        4.0937141500       15.4282877126
  S         4.1868115251        2.8711776890       14.2445102928
  S         5.1141191745        2.4389537808       17.1998006077
  S         4.3882696989        4.5690571893       19.3748107984
  S         2.9763186538        7.0130000511       18.7692676352
  S         1.7490723590        7.6225868470       15.6018465071
  S         1.9553869608        5.5312697997       13.6588032345
  H         3.8315940399        3.7170144010       13.0077501674
  H         5.6789757332        2.0002752501       16.0725052878
  H         5.3255495185        3.5924182227       19.1274530979
  H         1.6203670649        6.7718545083       19.2509447760
  H         1.8266465934        8.2684061790       16.7173040174
  H         3.0589775434        5.4587458172       12.7427347506
      82
 i =     2640, time =     1320.000, E =     -4871.3518014112
 Ga         9.7700547387        2.3648582654       -0.0927545867
 Ga         9.3298513736        2.7154101243        2.9797780121
 Ga        10.0393657583        2.9901023179        6.3407694691
 Ga         9.4628909779        3.5907328175        8.9173933238
 Ga         8.8797921997        5.1817431952       -0.2493770135
 Ga         9.0601571544        5.3907431848        2.7237162905
 Ga         8.4680168440        6.2659427907        6.0757255234
 Ga         8.6287886991        6.4317235298        9.2132554133
 Ga         8.9099396727        8.2252768289        0.0049970581
 Ga         9.8081950040        8.4794595723        3.5675137476
 Ga         5.5565362070        9.3478604662        6.2464832994
 Ga         8.5223227715        9.1006263579        9.3501511557
 Ga         2.2734879111        1.5742181773        0.0928387275
 Ga         2.2980180930        1.2886600397        3.3889494509
 Ga         2.0951457422        0.0792891809        6.4713026544
 Ga         0.6022598191        8.1917851856        9.3296641209
 Ga         1.3666422059        4.1114526890        0.2460899439
 Ga         1.4201312309        3.8597329287        3.1932937745
 Ga         2.3080034098        2.7746098761        6.0931197979
 Ga         1.7540577290        0.0843456791        9.2021074364
 Ga         0.8547355925        6.6347618626        0.1863020148
 Ga         1.0823420898        6.6429161301        3.1379032759
 Ga         0.5473129216        5.5247761893        5.8234587161
 Ga         1.8919010722        2.7894910527        8.9283604729
 Ga         1.8377543171        8.9684051883        0.1611727351
 Ga         2.3487063424        9.1441579058        2.8688624811
 Ga         8.2316724424        8.8613450407        6.5267124605
 Ga         0.8200593102        5.4831038247        9.4285096209
 Ga         4.9167263274        1.5047447000       -0.0847635786
 Ga         5.1302981188        1.3737700455        3.2708350897
 Ga         4.7741420936        1.4284459059        6.2000787052
 Ga         4.3472814357        0.4504623034        9.6163374337
 Ga         3.9475907950        4.0811292768        0.0981067177
 Ga         3.9692816509        3.7598793595        2.9149326703
 Ga         5.0042973595        3.9636261527        6.3996489669
 Ga         4.6902548161        2.9027258750        9.0615614836
 Ga         3.6495454910        6.7487603783        0.1239039169
 Ga         3.5058711691        6.5254788607        3.3285424561
 Ga         2.8936709344        5.3851661081        6.7491850712
 Ga         3.4286982567        5.0899650033        9.3770546579
 Ga         4.4470531319        9.3697794433        0.0881046766
 Ga         5.0562351847        9.0714622666        2.9645599147
 Ga         0.4903933194        8.1398438819        6.2775210569
 Ga         3.4285548310        7.8981444937        9.3070557242
 Ga         7.5860723827        0.2481218743       -0.5598339443
 Ga         7.4384504303        0.1514287363        2.8316382995
 Ga         7.3060656989        1.1848779003        6.2847352464
 Ga         7.0745585879        1.0483694686        9.1281432909
 Ga         7.0482073266        2.9294997438        0.1115657229
 Ga         6.7790047884        3.3391403197        2.8871971715
 Ga         7.5113025880        3.9201607526        5.8843374212
 Ga         6.9269375258        3.9287010952        9.6587610875
 Ga         6.0983852599        5.5144668526       -0.0018922617
 Ga         6.1143174135        5.8707415609        2.9465767320
 Ga         5.7206691442        6.6126576227        6.3299726498
 Ga         5.8978315398        6.2529371637        9.1019831563
 Ga         6.4357657246        8.0355047064       -0.2755981768
 Ga         7.4834124369        7.9128323557        2.6358658069
 Ga         3.2953042844        8.0364094735        6.4177603089
 Ga         5.9522274626        8.8765245564        9.3510777473
 Ga        10.2575955925        0.0933816066       -0.0472476440
 Ga        10.1857107786        0.3949372467        2.7461068068
 Ga         9.9334491634        0.5544270150        6.0880194336
 Ga         9.6808830473        1.1240377118        9.4361069598
  C         2.9517213508        5.3297280649       15.0399567945
  C         2.6919461272        6.2181255694       16.0990553907
  C         3.0930145524        5.8568475377       17.3318633775
  C         3.8313742634        4.6776834441       17.6328424967
  C         4.2020954982        3.8860539144       16.5780379202
  C         3.6945058282        4.0740764779       15.3552901855
  S         4.1662204884        2.8574787206       14.1793176964
  S         5.0898018930        2.4283269074       17.1242177920
  S         4.3671002850        4.5477564886       19.2867840130
  S         2.9628006865        6.9806628771       18.6836195212
  S         1.7403891750        7.5880017881       15.5319961765
  S         1.9482055266        5.5055866779       13.5983956467
  H         3.8252765080        3.6596446149       12.9895994210
  H         5.6556792783        2.0011705794       16.0021669808
  H         5.2956680625        3.5832781076       19.0476746529
  H         1.6375524412        6.7600934174       19.1530757573
  H         1.8193894191        8.2481745628       16.6566673184
  H         3.0241976986        5.4449117345       12.7048484640
      82
 i =     2641, time =     1320.500, E =     -4871.3495158943
 Ga         9.7345302973        2.3547339420       -0.0939443623
 Ga         9.2962547148        2.7074588847        2.9670538050
 Ga        10.0025111051        2.9799629199        6.3176490987
 Ga         9.4266449284        3.5777301438        8.8847904568
 Ga         8.8478185992        5.1632908862       -0.2479142021
 Ga         9.0283012153        5.3708536914        2.7141278041
 Ga         8.4362548692        6.2425135923        6.0543530435
 Ga         8.5992744308        6.4076042428        9.1798902132
 Ga         8.8753651817        8.1942011238        0.0053928581
 Ga         9.7720423134        8.4498781108        3.5549086882
 Ga         5.5356069138        9.3133621498        6.2251728361
 Ga         8.4905874656        9.0653051148        9.3155485866
 Ga         2.2644657214        1.5690437235        0.0901823846
 Ga         2.2885278767        1.2827620542        3.3763311823
 Ga         2.0880493332        0.0783241827        6.4471357990
 Ga         0.6003881068        8.1627285360        9.2945300467
 Ga         1.3603322521        4.0954727412        0.2438353540
 Ga         1.4165852763        3.8472271677        3.1821283868
 Ga         2.3002557937        2.7644847840        6.0709478854
 Ga         1.7496531221        0.0833525145        9.1668995589
 Ga         0.8524576500        6.6096378268        0.1862810348
 Ga         1.0784110344        6.6195968116        3.1266437178
 Ga         0.5459877145        5.5057857705        5.8027137101
 Ga         1.8859005116        2.7795861483        8.8949146080
 Ga         1.8312608274        8.9355554357        0.1612811619
 Ga         2.3379662192        9.1111032455        2.8558060460
 Ga         8.2013884336        8.8304533432        6.5006839706
 Ga         0.8163181008        5.4630088415        9.3939683068
 Ga         4.8991208793        1.5006791467       -0.0838822775
 Ga         5.1110358821        1.3698811612        3.2586164544
 Ga         4.7575987915        1.4221296244        6.1778023669
 Ga         4.3303353894        0.4487543851        9.5810043558
 Ga         3.9336073509        4.0661989438        0.0992100817
 Ga         3.9542060439        3.7455295959        2.9044611350
 Ga         4.9866022090        3.9492457985        6.3748799053
 Ga         4.6728296862        2.8932790488        9.0279381346
 Ga         3.6358729022        6.7237008621        0.1239939339
 Ga         3.4931802543        6.5004419803        3.3164796792
 Ga         2.8841419453        5.3648485618        6.7240240188
 Ga         3.4165620163        5.0691804011        9.3430642228
 Ga         4.4311414434        9.3359449225        0.0868356049
 Ga         5.0404533760        9.0380745842        2.9534122974
 Ga         0.4885662518        8.1098968121        6.2535421681
 Ga         3.4164396745        7.8688011169        9.2744866979
 Ga         7.5585757515        0.2465970616       -0.5575477957
 Ga         7.4127492061        0.1505586834        2.8219539272
 Ga         7.2807980612        1.1796319811        6.2618865431
 Ga         7.0485880706        1.0450467001        9.0924599690
 Ga         7.0210944918        2.9165292738        0.1096335891
 Ga         6.7539379864        3.3275467910        2.8764564689
 Ga         7.4822281790        3.9058102868        5.8647216055
 Ga         6.8999367034        3.9143159239        9.6221413576
 Ga         6.0757417860        5.4944995744       -0.0015993650
 Ga         6.0930512573        5.8486206368        2.9364290883
 Ga         5.6978248972        6.5889991716        6.3072729558
 Ga         5.8756099030        6.2299906803        9.0658189982
 Ga         6.4129974232        8.0064630872       -0.2736242585
 Ga         7.4551702698        7.8835793661        2.6246528879
 Ga         3.2829376294        8.0064482272        6.3932888671
 Ga         5.9288443677        8.8459004889        9.3160015184
 Ga        10.2205664379        0.0929475177       -0.0460258607
 Ga        10.1491406418        0.3950543764        2.7352948816
 Ga         9.8959134657        0.5525044156        6.0660469847
 Ga         9.6456788919        1.1189281831        9.3998004914
  C         2.9400480416        5.3136333915       14.9791572148
  C         2.6858299185        6.2001420070       16.0397276919
  C         3.0823541535        5.8342340493       17.2668272696
  C         3.8147992854        4.6574274852       17.5652440991
  C         4.1854984799        3.8712246674       16.5198894804
  C         3.6815482885        4.0582862118       15.2943861638
  S         4.1490467339        2.8462640056       14.1257563296
  S         5.0697217333        2.4196995228       17.0629053506
  S         4.3495971688        4.5302255387       19.2148594826
  S         2.9516269060        6.9541968052       18.6136042377
  S         1.7331500958        7.5597375948       15.4750439680
  S         1.9427474265        5.4844631376       13.5492197564
  H         3.8230991401        3.6024069746       12.9862521898
  H         5.6375044002        2.0038772154       15.9434349144
  H         5.2698681809        3.5769904833       18.9835690865
  H         1.6592013525        6.7539784941       19.0695439151
  H         1.8138244721        8.2363218966       16.6129153601
  H         2.9898205393        5.4358719016       12.6782836207
      82
 i =     2642, time =     1321.000, E =     -4871.3423977858
 Ga         9.7093860158        2.3472131497       -0.0952311134
 Ga         9.2725961619        2.7024149164        2.9575049550
 Ga         9.9763420830        2.9730452286        6.3012753220
 Ga         9.4004774718        3.5685664513        8.8616920061
 Ga         8.8253047591        5.1503573399       -0.2467133429
 Ga         9.0061013746        5.3567103131        2.7074390161
 Ga         8.4135107621        6.2257826319        6.0394586941
 Ga         8.5789454668        6.3903277847        9.1563309326
 Ga         8.8502980372        8.1718603856        0.0057949612
 Ga         9.7463268882        8.4293233246        3.5461022303
 Ga         5.5206080218        9.2888003649        6.2105135280
 Ga         8.4679305222        9.0396616013        9.2909019984
 Ga         2.2578531008        1.5655421221        0.0876265367
 Ga         2.2814934524        1.2782382422        3.3673209071
 Ga         2.0831951748        0.0774436730        6.4298562260
 Ga         0.5991729044        8.1423768461        9.2693291727
 Ga         1.3554608833        4.0838783810        0.2418345274
 Ga         1.4145280810        3.8388405376        3.1743569118
 Ga         2.2949565621        2.7573069741        6.0552517154
 Ga         1.7471195269        0.0824611962        9.1415054487
 Ga         0.8510761079        6.5915669081        0.1864565610
 Ga         1.0756020089        6.6033328741        3.1187131004
 Ga         0.5452414240        5.4926531241        5.7881747146
 Ga         1.8818980486        2.7726388714        8.8709961625
 Ga         1.8267420377        8.9122627481        0.1615495828
 Ga         2.3297274505        9.0877803580        2.8458200537
 Ga         8.1798666722        8.8089992752        6.4815947857
 Ga         0.8134542329        5.4487590800        9.3694560229
 Ga         4.8867454889        1.4982101346       -0.0830899882
 Ga         5.0972128487        1.3674466737        3.2498794943
 Ga         4.7461114571        1.4173271497        6.1621335602
 Ga         4.3179965659        0.4475161057        9.5559032874
 Ga         3.9238256785        4.0555904426        0.1004132878
 Ga         3.9433586838        3.7351886046        2.8970908156
 Ga         4.9742311318        3.9390847937        6.3569246709
 Ga         4.6604041258        2.8869101550        9.0039714218
 Ga         3.6260749014        6.7058290947        0.1242184777
 Ga         3.4842618277        6.4823631614        3.3079641602
 Ga         2.8776987103        5.3502744906        6.7060208818
 Ga         3.4080762647        5.0538471790        9.3190755617
 Ga         4.4199483904        9.3121081707        0.0856670913
 Ga         5.0300441095        9.0143424906        2.9454303424
 Ga         0.4872620443        8.0886298799        6.2362591246
 Ga         3.4079596239        7.8478684535        9.2518331334
 Ga         7.5391352624        0.2453378172       -0.5558427348
 Ga         7.3949804908        0.1498657058        2.8152807963
 Ga         7.2633328507        1.1756621012        6.2457303459
 Ga         7.0301261378        1.0428635326        9.0664980085
 Ga         7.0015096242        2.9066818048        0.1078093391
 Ga         6.7360985488        3.3195125832        2.8688073583
 Ga         7.4611623613        3.8956040202        5.8513633197
 Ga         6.8803375090        3.9041013884        9.5957950178
 Ga         6.0596127070        5.4803851708       -0.0013193165
 Ga         6.0782744336        5.8327407624        2.9294311485
 Ga         5.6810662492        6.5723809310        6.2913077132
 Ga         5.8596527658        6.2137191184        9.0393559951
 Ga         6.3970943886        7.9859696809       -0.2719471496
 Ga         7.4349006345        7.8627582518        2.6162454018
 Ga         3.2740662294        7.9850481123        6.3756462155
 Ga         5.9118044662        8.8247177644        9.2908789985
 Ga        10.1944813794        0.0925592392       -0.0448493606
 Ga        10.1234234915        0.3955912712        2.7274076702
 Ga         9.8689623340        0.5511362117        6.0505500809
 Ga         9.6208058570        1.1150079210        9.3735338029
  C         2.9316638339        5.3026386394       14.9344888549
  C         2.6824060105        6.1887631391       15.9968832845
  C         3.0750847501        5.8178536561       17.2209088359
  C         3.8022280674        4.6426216662       17.5165876417
  C         4.1736649397        3.8600297525       16.4797983321
  C         3.6722545284        4.0473069776       15.2491451840
  S         4.1362674106        2.8381377635       14.0871640304
  S         5.0550543910        2.4136302763       17.0198623485
  S         4.3367493241        4.5175332533       19.1635276000
  S         2.9435364867        6.9352378861       18.5635465121
  S         1.7277486475        7.5395905453       15.4346332683
  S         1.9394192723        5.4691774839       13.5144580608
  H         3.8254419311        3.5472712008       12.9989487613
  H         5.6259413687        2.0087848447       15.8997766781
  H         5.2499361671        3.5738026237       18.9394549736
  H         1.6842099200        6.7548615783       19.0052483331
  H         1.8103183691        8.2341367157       16.5888038180
  H         2.9578095538        5.4328836235       12.6648917201
      82
 i =     2643, time =     1321.500, E =     -4871.3317891946
 Ga         9.6978148527        2.3430687707       -0.0966474863
 Ga         9.2619262717        2.7011694553        2.9521028421
 Ga         9.9641399091        2.9703290481        6.2937200853
 Ga         9.3874786673        3.5644158489        8.8510131805
 Ga         8.8151537892        5.1446367863       -0.2458556175
 Ga         8.9965217547        5.3500753611        2.7045405819
 Ga         8.4025505625        6.2177975172        6.0330294445
 Ga         8.5706244471        6.3819951601        9.1455892988
 Ga         8.8376491228        8.1609409368        0.0062056544
 Ga         9.7342537725        8.4205693813        3.5422616415
 Ga         5.5133547942        9.2772298779        6.2045500212
 Ga         8.4571367144        9.0266676253        9.2792674421
 Ga         2.2543918889        1.5642286773        0.0851980647
 Ga         2.2776642754        1.2755081936        3.3630264462
 Ga         2.0812694774        0.0766724287        6.4215780096
 Ga         0.5988118446        8.1334088683        9.2571094689
 Ga         1.3524718393        4.0780115478        0.2401655593
 Ga         1.4144262351        3.8358369788        3.1710243829
 Ga         2.2928609768        2.7539832476        6.0480224797
 Ga         1.7470342312        0.0816985774        9.1289308234
 Ga         0.8508714449        6.5827163916        0.1868905682
 Ga         1.0742683788        6.5962975986        3.1151374066
 Ga         0.5452535033        5.4871859018        5.7817456995
 Ga         1.8805132613        2.7695614345        8.8595222600
 Ga         1.8247991190        8.9014585477        0.1620307832
 Ga         2.3247536675        9.0771778328        2.8398374706
 Ga         8.1697971220        8.7998820059        6.4715737913
 Ga         0.8117353093        5.4421467682        9.3580546890
 Ga         4.8812069284        1.4978316413       -0.0824136159
 Ga         5.0905049326        1.3669173443        3.2456927547
 Ga         4.7412411924        1.4145032046        6.1550995359
 Ga         4.3116841260        0.4468949455        9.5441776760
 Ga         3.9195365739        4.0506373327        0.1017498627
 Ga         3.9380364801        3.7300847022        2.8937748522
 Ga         4.9688207068        3.9344386428        6.3478723224
 Ga         4.6545106783        2.8845683115        8.9926224485
 Ga         3.6213436854        6.6973505258        0.1246191502
 Ga         3.4802631894        6.4733731153        3.3040844104
 Ga         2.8752882717        5.3432035643        6.6973809562
 Ga         3.4043618072        5.0456258849        9.3081552977
 Ga         4.4149276397        9.3013333532        0.0846261894
 Ga         5.0266631457        9.0032305054        2.9415830225
 Ga         0.4866408711        8.0787037521        6.2277224837
 Ga         3.4042356869        7.8379270328        9.2421405442
 Ga         7.5302302974        0.2444242677       -0.5549020301
 Ga         7.3875781870        0.1493995163        2.8125451466
 Ga         7.2560610862        1.1733540794        6.2383206101
 Ga         7.0214846666        1.0421639433        9.0532366042
 Ga         6.9917547104        2.9009110382        0.1061269714
 Ga         6.7277020398        3.3161298889        2.8651934701
 Ga         7.4505581020        3.8908224611        5.8461882478
 Ga         6.8704021262        3.8993414744        9.5828774557
 Ga         6.0519915631        5.4739260164       -0.0010527174
 Ga         6.0719870762        5.8250193932        2.9265475572
 Ga         5.6722600922        6.5649647981        6.2841458656
 Ga         5.8518872416        6.2061667293        9.0255656674
 Ga         6.3901610069        7.9766509904       -0.2706559741
 Ga         7.4250486335        7.8529549076        2.6115027904
 Ga         3.2697663234        7.9748350259        6.3669285124
 Ga         5.9030510565        8.8158800094        9.2787656999
 Ga        10.1826939725        0.0922450426       -0.0437326169
 Ga        10.1118893665        0.3966803439        2.7233412971
 Ga         9.8558415304        0.5505031789        6.0435185596
 Ga         9.6094289338        1.1126420665        9.3603882122
  C         2.9275677085        5.2984765650       14.9108964712
  C         2.6825556481        6.1860183574       15.9757686354
  C         3.0722009697        5.8096332231       17.1997702937
  C         3.7949057813        4.6348122731       17.4926895700
  C         4.1679650766        3.8537104227       16.4630865665
  C         3.6678389545        4.0424860542       15.2246326826
  S         4.1292713736        2.8339597877       14.0682614005
  S         5.0474652219        2.4109056687       17.0006915460
  S         4.3299662263        4.5111813054       19.1391034993
  S         2.9395623263        6.9260846867       18.5395377492
  S         1.7247488189        7.5300746378       15.4158765735
  S         1.9387960170        5.4615320844       13.4985834954
  H         3.8326803257        3.4974420989       13.0288824460
  H         5.6229038238        2.0164999660       15.8763641689
  H         5.2381411195        3.5743202478       18.9214299167
  H         1.7111118217        6.7646166130       18.9670868391
  H         1.8094071848        8.2435384383       16.5885320019
  H         2.9308057620        5.4376683072       12.6674029516
      82
 i =     2644, time =     1322.000, E =     -4871.3196596313
 Ga         9.7007213820        2.3425121720       -0.0982119591
 Ga         9.2651120785        2.7039876482        2.9511112501
 Ga         9.9668325551        2.9720977227        6.2955700878
 Ga         9.3885128280        3.5656117295        8.8535795852
 Ga         8.8181905271        5.1466117684       -0.2453605689
 Ga         9.0004099940        5.3514469810        2.7056869633
 Ga         8.4041520547        6.2191351229        6.0356330819
 Ga         8.5751224299        6.3831972035        9.1485197563
 Ga         8.8382312283        8.1621965643        0.0066282536
 Ga         9.7367281949        8.4244106780        3.5437202642
 Ga         5.5143575302        9.2795133110        6.2078712283
 Ga         8.4589907810        9.0271520462        9.2815075807
 Ga         2.2542875140        1.5652528547        0.0828901386
 Ga         2.2772458453        1.2746834753        3.3637602302
 Ga         2.0824702924        0.0760132495        6.4228963250
 Ga         0.5993632534        8.1365883354        9.2587273618
 Ga         1.3514819256        4.0782461076        0.2388420261
 Ga         1.4164219950        3.8385842639        3.1724299836
 Ga         2.2941868676        2.7547702359        6.0498242063
 Ga         1.7495737919        0.0810683446        9.1300169717
 Ga         0.8519282463        6.5836943337        0.1876048662
 Ga         1.0745098803        6.5991124826        3.1162083025
 Ga         0.5460787141        5.4899031966        5.7839690249
 Ga         1.8819270338        2.7706137255        8.8613139315
 Ga         1.8256039955        8.9039723876        0.1627434548
 Ga         2.3232473160        9.0801436138        2.8381060202
 Ga         8.1719400444        8.8039319624        6.4712093698
 Ga         0.8112330202        5.4436790758        9.3606363131
 Ga         4.8829617166        1.4996923321       -0.0818571777
 Ga         5.0913832330        1.3684277492        3.2463569705
 Ga         4.7434350558        1.4137822677        6.1572767791
 Ga         4.3117931402        0.4469324953        9.5467163375
 Ga         3.9211079736        4.0517166989        0.1032380174
 Ga         3.9386031863        3.7305620689        2.8947841965
 Ga         4.9708378806        3.9356745859        6.3483054448
 Ga         4.6555815610        2.8865284093        8.9947264766
 Ga         3.6220144889        6.6988872847        0.1252113383
 Ga         3.4815107696        6.4740676829        3.3051494104
 Ga         2.8771850618        5.3441303054        6.6987252840
 Ga         3.4057380017        5.0449733717        9.3111740271
 Ga         4.4164926026        9.3044912057        0.0837146599
 Ga         5.0307954450        9.0055765650        2.9421430206
 Ga         0.4867477899        8.0808708531        6.2285066450
 Ga         3.4055875100        7.8397042858        9.2462809188
 Ga         7.5325638611        0.2438751835       -0.5547760321
 Ga         7.3912408749        0.1491726968        2.8140131714
 Ga         7.2596690656        1.1728115636        6.2402394100
 Ga         7.0233171409        1.0430489771        9.0535041352
 Ga         6.9924735532        2.8994727320        0.1045866635
 Ga         6.7293741532        3.3177116573        2.8658810736
 Ga         7.4511001552        3.8918274371        5.8497528924
 Ga         6.8707611520        3.9003995233        9.5842736753
 Ga         6.0534411584        5.4756332133       -0.0007981527
 Ga         6.0747621545        5.8259949409        2.9280556909
 Ga         5.6719229719        6.5673658684        6.2863755419
 Ga         5.8528549092        6.2079122301        9.0252721279
 Ga         6.3927976213        7.9792524230       -0.2697699934
 Ga         7.4263013188        7.8548994523        2.6106587824
 Ga         3.2703403631        7.9765488488        6.3677230204
 Ga         5.9031244562        8.8202200756        9.2805212160
 Ga        10.1861567400        0.0920108467       -0.0426733255
 Ga        10.1154849499        0.3983693481        2.7233444942
 Ga         9.8574630700        0.5506566697        6.0455172873
 Ga         9.6124457375        1.1119273591        9.3612245058
  C         2.9280599979        5.3016483959       14.9097767039
  C         2.6865546684        6.1924923416       15.9778667150
  C         3.0739732065        5.8101251881       17.2049880088
  C         3.7931691712        4.6344328645       17.4952101944
  C         4.1687674312        3.8526029991       16.4711984058
  C         3.6686596899        4.0442100377       15.2223058733
  S         4.1284708289        2.8338974021       14.0704784324
  S         5.0474209257        2.4117447725       17.0069820871
  S         4.3296283300        4.5115978447       19.1433712613
  S         2.9400506209        6.9273929293       18.5432772205
  S         1.7243044088        7.5319193927       15.4202455428
  S         1.9410027836        5.4620325134       13.5028922938
  H         3.8440019521        3.4557552859       13.0732280024
  H         5.6288812183        2.0272989342       15.8748254132
  H         5.2353615903        3.5784623786       18.9311741713
  H         1.7379141687        6.7836287068       18.9574783689
  H         1.8112165663        8.2646136306       16.6125444695
  H         2.9107613912        5.4507578390       12.6855503471
      82
 i =     2645, time =     1322.500, E =     -4871.3098703700
 Ga         9.7178833066        2.3454914236       -0.0999199424
 Ga         9.2819411735        2.7108055364        2.9544649781
 Ga         9.9841922339        2.9782826370        6.3066811637
 Ga         9.4033667588        3.5720722073        8.8691887219
 Ga         8.8342122972        5.1561636689       -0.2452230521
 Ga         9.0175591937        5.3607031698        2.7108159585
 Ga         8.4181235226        6.2296536612        6.0471304205
 Ga         8.5922398853        6.3937885003        9.1649124830
 Ga         8.8518453621        8.1754417498        0.0070622641
 Ga         9.7535274884        8.4406530002        3.5503965349
 Ga         5.5234908073        9.2954389300        6.2203341446
 Ga         8.4732995990        9.0409115184        9.2974104354
 Ga         2.2574893049        1.5685782536        0.0807035114
 Ga         2.2801872823        1.2757364766        3.3694457835
 Ga         2.0867492540        0.0754652231        6.4336647409
 Ga         0.6008130855        8.1517282378        9.2739720220
 Ga         1.3524614186        4.0844895807        0.2378602443
 Ga         1.4204816019        3.8469923456        3.1785007844
 Ga         2.2988806959        2.7596047455        6.0605182956
 Ga         1.7546965228        0.0805696427        9.1445564042
 Ga         0.8542263885        6.5943511954        0.1885947137
 Ga         1.0763020939        6.6116261078        3.1218543673
 Ga         0.5477036097        5.5006783548        5.7947115782
 Ga         1.8860953863        2.7757319929        8.8761690828
 Ga         1.8291146792        8.9196003860        0.1636826867
 Ga         2.3251574732        9.0964690725        2.8405629058
 Ga         8.1861087222        8.8209462168        6.4803552142
 Ga         0.8119303401        5.4532314122        9.3769868468
 Ga         4.8918969081        1.5037561721       -0.0814193854
 Ga         5.0997322184        1.3719453207        3.2517979576
 Ga         4.7525834894        1.4151331708        6.1685239677
 Ga         4.3182266377        0.4476191661        9.5633009423
 Ga         3.9284491782        4.0587359447        0.1048734128
 Ga         3.9449692948        3.7365361435        2.9000523380
 Ga         4.9801681246        3.9427021435        6.3580801369
 Ga         4.6635106009        2.8927219631        9.0100780979
 Ga         3.6280047838        6.7102867407        0.1259917904
 Ga         3.4879246621        6.4842999563        3.3110834386
 Ga         2.8833215994        5.3529332158        6.7099014723
 Ga         3.4121258290        5.0517763050        9.3279184221
 Ga         4.4245419464        9.3213685190        0.0829316552
 Ga         5.0423222812        9.0211751906        2.9470434613
 Ga         0.4875715593        8.0949466195        6.2384704010
 Ga         3.4119366090        7.8530210804        9.2640416557
 Ga         7.5459634161        0.2436855449       -0.5554523583
 Ga         7.4057976259        0.1491823484        2.8196195755
 Ga         7.2739887109        1.1740086158        6.2513435937
 Ga         7.0354631438        1.0454941907        9.0670952243
 Ga         7.0035078556        2.9023029218        0.1031883080
 Ga         6.7409612883        3.3241810560        2.8708047522
 Ga         7.4626201749        3.8985300597        5.8619207337
 Ga         6.8812594741        3.9071867002        9.5997657356
 Ga         6.0638235695        5.4853812476       -0.0005557930
 Ga         6.0864599544        5.8355347052        2.9338879547
 Ga         5.6799276023        6.5794330753        6.2978522070
 Ga         5.8624231261        6.2188139274        9.0382731996
 Ga         6.4048565571        7.9935909550       -0.2692838962
 Ga         7.4384901053        7.8684124506        2.6136558754
 Ga         3.2757139916        7.9900077979        6.3778856050
 Ga         5.9118917609        8.8375334233        9.2959343394
 Ga        10.2046357075        0.0918542754       -0.0416718378
 Ga        10.1339774263        0.4006480124        2.7273556542
 Ga         9.8736036703        0.5515843789        6.0564075670
 Ga         9.6296360216        1.1128393090        9.3758303011
  C         2.9330989618        5.3120319643       14.9308389576
  C         2.6943499883        6.2080040163       16.0028394897
  C         3.0803058252        5.8192199411       17.2361189740
  C         3.7969394505        4.6413864695       17.5237846173
  C         4.1759472628        3.8566270480       16.5036390548
  C         3.6746576740        4.0523869835       15.2419191299
  S         4.1338212317        2.8377830705       14.0936600056
  S         5.0548145374        2.4160867948       17.0383305865
  S         4.3356289315        4.5186888961       19.1758962061
  S         2.9450122934        6.9390149417       18.5743195066
  S         1.7263784434        7.5449764673       15.4474198288
  S         1.9459326525        5.4705563336       13.5271123295
  H         3.8577844924        3.4254704797       13.1263648413
  H         5.6435646352        2.0412242762       15.8952018176
  H         5.2417261463        3.5858887949       18.9681676658
  H         1.7621362143        6.8114069381       18.9767631482
  H         1.8156653093        8.2963969615       16.6593282974
  H         2.8993592340        5.4720137759       12.7175567418
      82
 i =     2646, time =     1323.000, E =     -4871.3077338193
 Ga         9.7485810276        2.3518235024       -0.1017744555
 Ga         9.3117295290        2.7214374449        2.9619316220
 Ga        10.0154775969        2.9886701202        6.3265862887
 Ga         9.4313308506        3.5835335957        8.8971832479
 Ga         8.8625674997        5.1729136066       -0.2454201353
 Ga         9.0473109827        5.3774454266        2.7197296296
 Ga         8.4438346414        6.2488880028        6.0670796511
 Ga         8.6213538610        6.4132903869        9.1940901336
 Ga         8.8778215993        8.2000624780        0.0075104895
 Ga         9.7839259947        8.4686811784        3.5620302878
 Ga         5.5403410820        9.3243149938        6.2414899336
 Ga         8.4994304076        9.0672611138        9.3262832006
 Ga         2.2638243913        1.5740930004        0.0786148716
 Ga         2.2863116586        1.2785639844        3.3798316838
 Ga         2.0939559211        0.0750178256        6.4534024599
 Ga         0.6031197453        8.1782306486        9.3021479184
 Ga         1.3552996038        4.0964321567        0.2371925979
 Ga         1.4265121137        3.8607878408        3.1890048609
 Ga         2.3067765670        2.7682819298        6.0796559721
 Ga         1.7622880329        0.0801919666        9.1718592717
 Ga         0.8577090007        6.6141913635        0.1898514611
 Ga         1.0795648592        6.6333557061        3.1318454993
 Ga         0.5500924625        5.5191122711        5.8135479405
 Ga         1.8928850931        2.7847121812        8.9034239341
 Ga         1.8351978718        8.9476806879        0.1648410225
 Ga         2.3302956760        9.1254822092        2.8469780965
 Ga         8.2116949751        8.8502822955        6.4985137686
 Ga         0.8137623561        5.4703991781        9.4064101586
 Ga         4.9076516354        1.5099221612       -0.0810897620
 Ga         5.1151698593        1.3773766233        3.2617724111
 Ga         4.7683403825        1.4184426672        6.1883868760
 Ga         4.3306566461        0.4489216363        9.5932205052
 Ga         3.9412716380        4.0713935791        0.1066589529
 Ga         3.9568379274        3.7477255945        2.9093654291
 Ga         4.9964464362        3.9552294555        6.3767147119
 Ga         4.6779502525        2.9029418181        9.0380056377
 Ga         3.6390427552        6.7310488098        0.1269555514
 Ga         3.4992478946        6.5035806922        3.3216417806
 Ga         2.8934916467        5.3692109383        6.7304078963
 Ga         3.4232745832        5.0656442874        9.3576992032
 Ga         4.4387500385        9.3512779322        0.0822642944
 Ga         5.0608894020        9.0493563550        2.9560637744
 Ga         0.4890756149        8.1203299495        6.2571440221
 Ga         3.4230326335        7.8772914716        9.2947474208
 Ga         7.5698709324        0.2438325008       -0.5568872530
 Ga         7.4307107053        0.1494154927        2.8291601166
 Ga         7.2984915123        1.1768516544        6.2711705644
 Ga         7.0573998314        1.0494264748        9.0933195329
 Ga         7.0243292237        2.9091694946        0.1019133273
 Ga         6.7619618459        3.3352961313        2.8797507153
 Ga         7.4845534821        3.9106407061        5.8822706503
 Ga         6.9013752593        3.9194133591        9.6286313626
 Ga         6.0826872795        5.5027643961       -0.0003234220
 Ga         6.1066374712        5.8532007454        2.9438318480
 Ga         5.6958386565        6.6006822914        6.3181121534
 Ga         5.8801523967        6.2384108244        9.0638785369
 Ga         6.4258685151        8.0190763267       -0.2691699689
 Ga         7.4610573133        7.8929082325        2.6202889550
 Ga         3.2856418391        8.0146153980        6.3969363289
 Ga         5.9289030658        8.8671774973        9.3243091214
 Ga        10.2373780533        0.0917664021       -0.0407169233
 Ga        10.1666199678        0.4034988023        2.7351666735
 Ga         9.9035233810        0.5532458310        6.0757424592
 Ga         9.6602877424        1.1152877159        9.4034963513
  C         2.9424843036        5.3292499582       14.9729829242
  C         2.7057830105        6.2320827456       16.0495191217
  C         3.0909514892        5.8365022435       17.2918221360
  C         3.8059232728        4.6553180924       17.5771135684
  C         4.1891519339        3.8654992448       16.5591012203
  C         3.6855878624        4.0667180169       15.2823963375
  S         4.1450482407        2.8453045270       14.1369162364
  S         5.0692676474        2.4237500616       17.0934651377
  S         4.3476302198        4.5321154040       19.2352441568
  S         2.9542971864        6.9604360240       18.6312529426
  S         1.7308398159        7.5687013725       15.4962831433
  S         1.9534078326        5.4866895521       13.5702761686
  H         3.8722870186        3.4091506886       13.1823564649
  H         5.6663017388        2.0583568279       15.9368344419
  H         5.2568549354        3.5963092117       19.0309871836
  H         1.7816673152        6.8473331848       19.0240742707
  H         1.8226034513        8.3377279374       16.7268232212
  H         2.8975759387        5.5011671050       12.7614299384
      82
 i =     2647, time =     1323.500, E =     -4871.3162767167
 Ga         9.7907795900        2.3610272055       -0.1037361064
 Ga         9.3525278261        2.7352921626        2.9729134903
 Ga        10.0586003703        3.0026248692        6.3539652405
 Ga         9.4704548504        3.5992452361        8.9357053840
 Ga         8.9014001450        5.1957760635       -0.2459060789
 Ga         9.0877625779        5.4005529453        2.7318566825
 Ga         8.4795318999        6.2755378144        6.0942046559
 Ga         8.6606415906        6.4403716409        9.2341303995
 Ga         8.9143282265        8.2343605234        0.0079669382
 Ga         9.8258853638        8.5067118812        3.5778727362
 Ga         5.5637582133        9.3642005122        6.2700197583
 Ga         8.5356150399        9.1043331494        9.3661833566
 Ga         2.2728291141        1.5814625673        0.0766334453
 Ga         2.2951533811        1.2829123891        3.3942150145
 Ga         2.1036457353        0.0746630975        6.4807687141
 Ga         0.6061526659        8.2143802091        9.3413246911
 Ga         1.3597295018        4.1132290029        0.2368058109
 Ga         1.4341998372        3.8791459570        3.2032712465
 Ga         2.3173855216        2.7802240633        6.1059683039
 Ga         1.7719582444        0.0799256231        9.2100268757
 Ga         0.8621891788        6.6418448825        0.1913287821
 Ga         1.0840750188        6.6629077713        3.1455265514
 Ga         0.5531232846        5.5440416088        5.8392584215
 Ga         1.9018922813        2.7969704679        8.9412275487
 Ga         1.8434670138        8.9863455874        0.1661771518
 Ga         2.3381999028        9.1652745645        2.8567846665
 Ga         8.2469876212        8.8900761414        6.5243532880
 Ga         0.8165678385        5.4940405510        9.4469442172
 Ga         4.9291972168        1.5178594400       -0.0808576225
 Ga         5.1366363696        1.3844221288        3.2756023017
 Ga         4.7897026367        1.4234276204        6.2155691753
 Ga         4.3481932851        0.4507480800        9.6344744342
 Ga         3.9587471979        4.0888417869        0.1085565656
 Ga         3.9733889602        3.7633545831        2.9221141067
 Ga         5.0186234518        3.9724295318        6.4028938277
 Ga         4.6979271180        2.9165692578        9.0766275090
 Ga         3.6543732878        6.7597730801        0.1280701056
 Ga         3.5147452228        6.5305652560        3.3361294934
 Ga         2.9070789062        5.3918490348        6.7588473797
 Ga         3.4384647185        5.0855416701        9.3985579682
 Ga         4.4581881333        9.3922613023        0.0817058929
 Ga         5.0854111966        9.0882348147        2.9685896522
 Ga         0.4911580294        8.1553272730        6.2832323701
 Ga         3.4381574596        7.9108763947        9.3364417141
 Ga         7.6027056921        0.2442717285       -0.5589673685
 Ga         7.4644114600        0.1498431927        2.8420371269
 Ga         7.3316355091        1.1811042308        6.2984100708
 Ga         7.0876573748        1.0546193596        9.1303041618
 Ga         7.0534853105        2.9194902489        0.1007591299
 Ga         6.7909670376        3.3503535089        2.8921187488
 Ga         7.5153555686        3.9273460789        5.9095539311
 Ga         6.9296850770        3.9362632203        9.6688754925
 Ga         6.1087650800        5.5266333983       -0.0001028810
 Ga         6.1340102612        5.8777794350        2.9572649667
 Ga         5.7184896772        6.6297300627        6.3458325512
 Ga         5.9048242414        6.2654008288        9.1002288136
 Ga         6.4544826851        8.0540319203       -0.2693815974
 Ga         7.4924554495        7.9267425773        2.6300292311
 Ga         3.2994430460        8.0487052747        6.4235523427
 Ga         5.9529390301        8.9072812053        9.3637093823
 Ga        10.2822399537        0.0917334982       -0.0398116510
 Ga        10.2112820056        0.4068203486        2.7462151781
 Ga         9.9451691741        0.5555276672        6.1022515267
 Ga         9.7023807332        1.1190517405        9.4422802842
  C         2.9556097505        5.3522033632       15.0331791866
  C         2.7202800797        6.2633260347       16.1146548422
  C         3.1052291440        5.8607905785       17.3683855086
  C         3.8193737666        4.6752499267       17.6515468659
  C         4.2074542645        3.8784912282       16.6339931985
  C         3.7007232835        4.0863216914       15.3407445996
  S         4.1613351597        2.8558341080       14.1974195660
  S         5.0897452900        2.4342278569       17.1687782077
  S         4.3647440503        4.5509362775       19.3174024477
  S         2.9673358977        6.9902047939       18.7101882372
  S         1.7373444886        7.6015231543       15.5636227851
  S         1.9629868880        5.5092977068       13.6295639649
  H         3.8857123398        3.4081588621       13.2350372283
  H         5.6955250849        2.0783309046       15.9971809553
  H         5.2794745642        3.6091812926       19.1156228901
  H         1.7945759288        6.8897141134       19.0959634357
  H         1.8316248563        8.3861352609       16.8105999850
  H         2.9055148016        5.5370214084       12.8139700568
      82
 i =     2648, time =     1324.000, E =     -4871.3319055486
 Ga         9.8415877090        2.3723899215       -0.1057920281
 Ga         9.4015796260        2.7515874964        2.9865094591
 Ga        10.1105865680        3.0192719126        6.3869418412
 Ga         9.5179196684        3.6181458612        8.9821152386
 Ga         8.9480861125        5.2232218364       -0.2465998847
 Ga         9.1362458126        5.4284280552        2.7463951474
 Ga         8.5226996743        6.3077436653        6.1267161344
 Ga         8.7075687600        6.4731215800        9.2823084876
 Ga         8.9587075241        8.2758893301        0.0084349250
 Ga         9.8764982514        8.5522494122        3.5968717838
 Ga         5.5920916519        9.4123240643        6.3040915427
 Ga         8.5793239193        9.1494122052        9.4143373999
 Ga         2.2838224148        1.5902271910        0.0747070926
 Ga         2.3060210347        1.2883878845        3.4115898799
 Ga         2.1152044177        0.0743705931        6.5138423507
 Ga         0.6097378640        8.2577605705        9.3887287422
 Ga         1.3653318114        4.1336532866        0.2366129345
 Ga         1.4431415858        3.9009408569        3.2203594573
 Ga         2.3300305393        2.7946092224        6.1376521909
 Ga         1.7832097816        0.0797392676        9.2563179407
 Ga         0.8674228892        6.6753376928        0.1929791168
 Ga         1.0895112882        6.6983255790        3.1619701472
 Ga         0.5566411097        5.5738426634        5.8701250653
 Ga         1.9125660918        2.8116831976        8.9869287811
 Ga         1.8533815970        9.0329391446        0.1676502311
 Ga         2.3481524020        9.2131426190        2.8691065203
 Ga         8.2895479019        8.9377203531        6.5559175741
 Ga         0.8200971165        5.5225318278        9.4957959550
 Ga         4.9550808601        1.5271373318       -0.0806914710
 Ga         5.1626070006        1.3926867367        3.2923161315
 Ga         4.8152654958        1.4296533925        6.2482397257
 Ga         4.3695381568        0.4529645924        9.6842124001
 Ga         3.9797109670        4.1098712049        0.1105527352
 Ga         3.9934407848        3.7823038254        2.9374368802
 Ga         5.0452235471        3.9931295763        6.4347084579
 Ga         4.7220501943        2.9327556686        9.1232557999
 Ga         3.6729117085        6.7944578058        0.1293049524
 Ga         3.5333811086        6.5633099478        3.3535620649
 Ga         2.9232375856        5.4192467325        6.7932153445
 Ga         3.4566845312        5.1099394329        9.4477213842
 Ga         4.4815429407        9.4415498046        0.0812211580
 Ga         5.1144188954        9.1351231839        2.9837403694
 Ga         0.4936730587        8.1975273995        6.3148667363
 Ga         3.4562995716        7.9514324215        9.3863848833
 Ga         7.6422236220        0.2449230009       -0.5615226429
 Ga         7.5047137404        0.1504178586        2.8574191292
 Ga         7.3712728754        1.1864065278        6.3312029353
 Ga         7.1241392445        1.0607688954        9.1753213403
 Ga         7.0888766840        2.9323741357        0.0996771521
 Ga         6.8259673030        3.3683711259        2.9070529077
 Ga         7.5527864432        3.9474846133        5.9420476120
 Ga         6.9641217126        3.9565730611        9.7176230752
 Ga         6.1402487119        5.5553568351        0.0001095380
 Ga         6.1667795393        5.9075251143        2.9733219580
 Ga         5.7461667802        6.6646239292        6.3791442338
 Ga         5.9346852274        6.2979328164        9.1446003975
 Ga         6.4888020464        8.0960821934       -0.2698258569
 Ga         7.5304600100        7.9675696157        2.6420800327
 Ga         3.3161384293        8.0898924346        6.4558234973
 Ga         5.9822209163        8.9552344847        9.4113567642
 Ga        10.3361901540        0.0917250631       -0.0389300776
 Ga        10.2649544893        0.4105124846        2.7596798529
 Ga         9.9955886665        0.5582659860        6.1341354230
 Ga         9.7530516927        1.1237878948        9.4893683027
  C         2.9716089261        5.3793352710       15.1069661086
  C         2.7370984980        6.2998809179       16.1934989624
  C         3.1222093517        5.8903654011       17.4606025538
  C         3.8361434806        4.6997748516       17.7418307453
  C         4.2295547442        3.8944679536       16.7233615869
  C         3.7189967286        4.1099939561       15.4124468121
  S         4.1814298324        2.8685232609       14.2709747367
  S         5.1147310364        2.4468037720       17.2591887769
  S         4.3856651873        4.5737878078       19.4166366137
  S         2.9832698508        7.0262416870       18.8055670431
  S         1.7453752705        7.6411982667       15.6448637187
  S         1.9741144002        5.5367374312       13.7009569409
  H         3.8968704126        3.4210118747       13.2805733876
  H         5.7292598211        2.1008531438       16.0721352844
  H         5.3076502278        3.6237927905       19.2164836459
  H         1.8000322556        6.9366961650       19.1866919554
  H         1.8421999207        8.4388429122       16.9052361381
  H         2.9220050629        5.5781743335       12.8715986002
      82
 i =     2649, time =     1324.500, E =     -4871.3462778735
 Ga         9.8971486361        2.3849781236       -0.1079003512
 Ga         9.4552001211        2.7692461295        3.0015478560
 Ga        10.1674730584        3.0374277124        6.4230135179
 Ga         9.5699931236        3.6388168505        9.0328915435
 Ga         8.9991176855        5.2532035663       -0.2474032069
 Ga         9.1891804234        5.4589425505        2.7622693520
 Ga         8.5699966112        6.3430322009        6.1622132555
 Ga         8.7587229338        6.5090027728        9.3349859336
 Ga         9.0074461595        8.3214049556        0.0089118384
 Ga         9.9318931574        8.6019422292        3.6176172739
 Ga         5.6231491432        9.4649966009        6.3412363489
 Ga         8.6271931296        9.1989117513        9.4670538140
 Ga         2.2959088204        1.5997643595        0.0728044712
 Ga         2.3180097789        1.2944847279        3.4306186215
 Ga         2.1278025158        0.0741108273        6.5500701461
 Ga         0.6136364030        8.3051361525        9.4406785234
 Ga         1.3715708202        4.1560840577        0.2365211432
 Ga         1.4527742260        3.9246438898        3.2390073656
 Ga         2.3437983483        2.8103417553        6.1723024942
 Ga         1.7953454152        0.0796011806        9.3071016042
 Ga         0.8730716569        6.7120526789        0.1947280804
 Ga         1.0954474641        6.7369849965        3.1799371005
 Ga         0.5604284988        5.6063322575        5.9038473984
 Ga         1.9241581521        2.8277483339        9.0370037728
 Ga         1.8642154154        9.0839200115        0.1691954794
 Ga         2.3592317324        9.2654755049        2.8828169338
 Ga         8.3361269177        8.9897125347        6.5906351985
 Ga         0.8240288019        5.5537079675        9.5492428680
 Ga         4.9833600010        1.5371582678       -0.0805589576
 Ga         5.1910587631        1.4016255112        3.3106229016
 Ga         4.8431430079        1.4365591715        6.2839496057
 Ga         4.3929789329        0.4553942159        9.7386371386
 Ga         4.0026025161        4.1328713621        0.1126057761
 Ga         4.0154269383        3.8030902026        2.9541821346
 Ga         5.0742694730        4.0157640636        6.4696356286
 Ga         4.7484685704        2.9503518605        9.1743136163
 Ga         3.6932180984        6.8324396898        0.1306100568
 Ga         3.5537690593        6.5992413905        3.3726245888
 Ga         2.9408222049        5.4492788986        6.8308491503
 Ga         3.4765786664        5.1368319615        9.5014847769
 Ga         4.5070587859        9.4954421584        0.0807780509
 Ga         5.1459103585        9.1864414613        3.0003457017
 Ga         0.4964269403        8.2437167689        6.3495709826
 Ga         3.4761046220        7.9958423206        9.4408985201
 Ga         7.6854300782        0.2456895396       -0.5643317457
 Ga         7.5486763966        0.1510797900        2.8741866517
 Ga         7.4145135948        1.1922925972        6.3670677817
 Ga         7.1640535316        1.0674591700        9.2247721017
 Ga         7.1277236870        2.9466701818        0.0986285544
 Ga         6.8642866342        3.3880289320        2.9234132330
 Ga         7.5938845110        3.9695102153        5.9774236184
 Ga         7.0019537037        3.9787929314        9.7710629579
 Ga         6.1747305615        5.5867576747        0.0003149034
 Ga         6.2025301401        5.9401217411        2.9908372938
 Ga         5.7766167972        6.7027518158        6.4155478171
 Ga         5.9674091620        6.3335379776        9.1934073136
 Ga         6.5262833955        8.1420543937       -0.2703947527
 Ga         7.5721186017        8.0122658404        2.6554048920
 Ga         3.3344286477        8.1350055902        6.4912193815
 Ga         6.0144028515        9.0075277056        9.4635612313
 Ga        10.3951766877        0.0917070032       -0.0380554570
 Ga        10.3236133091        0.4144154656        2.7744782383
 Ga        10.0508637118        0.5612434973        6.1689905172
 Ga         9.8084770902        1.1290554307        9.5410390046
  C         2.9893142951        5.4085642756       15.1884524463
  C         2.7551927502        6.3392219466       16.2797694317
  C         3.1406483683        5.9229398768       17.5615314763
  C         3.8547484190        4.7270224185       17.8409799961
  C         4.2537346070        3.9119667923       16.8205908983
  C         3.7389845098        4.1361004151       15.4915620464
  S         4.2036607588        2.8823212056       14.3518961322
  S         5.1422228808        2.4605239884       17.3579064810
  S         4.4086817809        4.5988639868       19.5253183738
  S         3.0009120157        7.0657781278       18.9100159485
  S         1.7542570369        7.6847281090       15.7338895205
  S         1.9860518923        5.5668368356       13.7790689109
  H         3.9051459447        3.4443055861       13.3170737910
  H         5.7649238454        2.1252697035       16.1560910783
  H         5.3388153228        3.6392234072       19.3260815123
  H         1.7980064790        6.9856784179       19.2884308832
  H         1.8536107507        8.4921849043       17.0036475674
  H         2.9449409209        5.6224967181       12.9301314695
      82
 i =     2650, time =     1325.000, E =     -4871.3516932812
 Ga         9.9527279378        2.3976411626       -0.1100203140
 Ga         9.5088698185        2.7869603440        3.0165779007
 Ga        10.2243936350        3.0556473197        6.4591082343
 Ga         9.6220825242        3.6595186659        9.0837124496
 Ga         9.0501927509        5.2832115470       -0.2481915263
 Ga         9.2421807475        5.4894831942        2.7781612841
 Ga         8.6173155553        6.3783653420        6.1977551548
 Ga         8.8099292326        6.5448958775        9.3876982931
 Ga         9.0562189840        8.3669168623        0.0093973556
 Ga         9.9873152415        8.6516858595        3.6383813925
 Ga         5.6542361415        9.5176863755        6.3784338784
 Ga         8.6750896726        9.2484141990        9.5197984260
 Ga         2.3079835112        1.6093136463        0.0708711706
 Ga         2.3300018699        1.3005741005        3.4496576800
 Ga         2.1404265356        0.0738429003        6.5863141564
 Ga         0.6175581593        8.3525402294        9.4926477126
 Ga         1.3777788031        4.1785253837        0.2364065949
 Ga         1.4624163050        3.9483902003        3.2576688786
 Ga         2.3575721247        2.8260764261        6.2069667143
 Ga         1.8075232694        0.0794683856        9.3579111098
 Ga         0.8787248422        6.7487705836        0.1964887307
 Ga         1.1013586397        6.7756703642        3.1979069562
 Ga         0.5642228903        5.6388372784        5.9376054963
 Ga         1.9357550628        2.8438144064        9.0871225860
 Ga         1.8750796413        9.1349411611        0.1707374166
 Ga         2.3702918777        9.3178429650        2.8965161232
 Ga         8.3827349432        9.0417638358        6.6253340793
 Ga         0.8279635000        5.5849114236        9.6027144506
 Ga         5.0116523255        1.5471982402       -0.0804163910
 Ga         5.2195033988        1.4105768040        3.3289360206
 Ga         4.8710245736        1.4434484922        6.3196957260
 Ga         4.4164050114        0.4578186619        9.7930859638
 Ga         4.0255094527        4.1558637863        0.1146742042
 Ga         4.0374208749        3.8238893494        2.9709373923
 Ga         5.1033380202        4.0384119944        6.5045686620
 Ga         4.7749085498        2.9679544273        9.2254072940
 Ga         3.7135219441        6.8704468679        0.1319279016
 Ga         3.5742106154        6.6351930023        3.3917039719
 Ga         2.9584341737        5.4793331652        6.8684752691
 Ga         3.4964861742        5.1637443244        9.5553038534
 Ga         4.5325817904        9.5493992322        0.0803310226
 Ga         5.1774458148        9.2377931441        3.0169676384
 Ga         0.4991816545        8.2899501390        6.3842991378
 Ga         3.4959120744        8.0402764036        9.4954777084
 Ga         7.7286492593        0.2464484028       -0.5671206818
 Ga         7.5927001036        0.1517545992        2.8909698345
 Ga         7.4578215732        1.1981850191        6.4029594894
 Ga         7.2039708231        1.0741846227        9.2742228363
 Ga         7.1666062698        2.9609502302        0.0975543607
 Ga         6.9026387648        3.4077109714        2.9398001495
 Ga         7.6350037495        3.9915228878        6.0128367711
 Ga         7.0398180816        4.0010191839        9.8245072795
 Ga         6.2092541601        5.6181637043        0.0005157190
 Ga         6.2383034833        5.9727210974        3.0083853370
 Ga         5.8070602468        6.7409108091        6.4519778131
 Ga         6.0001351006        6.3691862241        9.2422280726
 Ga         6.5638109095        8.1880555895       -0.2709494519
 Ga         7.6138012619        8.0569951895        2.6687204652
 Ga         3.3527156133        8.1801481060        6.5266264643
 Ga         6.0465942457        9.0598646937        9.5157868980
 Ga        10.4542302281        0.0916333370       -0.0371598690
 Ga        10.3823238466        0.4183439032        2.7892762556
 Ga        10.1061766312        0.5641918474        6.2038676956
 Ga         9.8639661610        1.1343058263        9.5927114307
  C         3.0072957512        5.4373225608       15.2703681333
  C         2.7732900670        6.3782887400       16.3657030095
  C         3.1590330407        5.9556953031       17.6626923756
  C         3.8733432552        4.7547039843       17.9404126419
  C         4.2779002479        3.9291525140       16.9176108013
  C         3.7589219903        4.1626574504       15.5707106147
  S         4.2259575778        2.8959319671       14.4331739627
  S         5.1697511715        2.4742177970       17.4566124574
  S         4.4316799931        4.6239442557       19.6340804621
  S         3.0187880937        7.1054160261       19.0144796116
  S         1.7631528048        7.7284318911       15.8231900597
  S         1.9979063354        5.5969234697       13.8572854557
  H         3.9099892422        3.4735187196       13.3429286647
  H         5.7994854747        2.1507918240       16.2418845662
  H         5.3698893477        3.6542445426       19.4352284639
  H         1.7890685252        7.0335570117       19.3913454951
  H         1.8649863036        8.5418676594       17.0973879147
  H         2.9715402046        5.6673990379       12.9845641334
      82
 i =     2651, time =     1325.500, E =     -4871.3474923936
 Ga        10.0047958853        2.4095435162       -0.1120729064
 Ga         9.5592006657        2.8036861657        3.0305761141
 Ga        10.2777257594        3.0728160714        6.4929346574
 Ga         9.6708162006        3.6789456543        9.1313525587
 Ga         9.0980863473        5.3113583100       -0.2488912148
 Ga         9.2919320723        5.5181051828        2.7930759071
 Ga         8.6616199606        6.4114868669        6.2311192102
 Ga         8.8580105946        6.5784963423        9.4371071685
 Ga         9.1018588637        8.4094887841        0.0098774840
 Ga        10.0392306209        8.6983739944        3.6578613359
 Ga         5.6833591985        9.5670295425        6.4133817854
 Ga         8.7199494946        9.2946948452        9.5692033877
 Ga         2.3192489942        1.6182901177        0.0689409240
 Ga         2.3411965336        1.3062249470        3.4674889758
 Ga         2.1522991041        0.0735581741        6.6202518828
 Ga         0.6212714462        8.3969910846        9.5412948459
 Ga         1.3835058516        4.1995177184        0.2362232007
 Ga         1.4715127328        3.9707345779        3.2751758556
 Ga         2.3704995858        2.8408117272        6.2394434213
 Ga         1.8190486231        0.0793272837        9.4054622827
 Ga         0.8840524758        6.7831223139        0.1981751360
 Ga         1.1068614449        6.8119570525        3.2147425901
 Ga         0.5678079496        5.6693323902        5.9692778287
 Ga         1.9466506944        2.8588678471        9.1340768619
 Ga         1.8852988933        9.1827610355        0.1722012400
 Ga         2.3805483817        9.3669311679        2.9092397516
 Ga         8.4264039014        9.0906263005        6.6577232689
 Ga         0.8316256290        5.6141601545        9.6528080017
 Ga         5.0381717039        1.5566724114       -0.0802499167
 Ga         5.2461085476        1.4190128180        3.3460814597
 Ga         4.8971657783        1.4498397382        6.3532242298
 Ga         4.4382827757        0.4600795740        9.8440901280
 Ga         4.0469920901        4.1773804216        0.1166813234
 Ga         4.0580037356        3.8433588144        2.9866444625
 Ga         5.1306042127        4.0596379228        6.5372360700
 Ga         4.7996821042        2.9844839924        9.2732746298
 Ga         3.7325171295        6.9060514330        0.1331971457
 Ga         3.5934234847        6.6688390349        3.4095926718
 Ga         2.9749956094        5.5074791217        6.9036768841
 Ga         3.5151563063        5.1888927652        9.6057753728
 Ga         4.5564993882        9.6000162776        0.0798746527
 Ga         5.2071223801        9.2859078873        3.0325409493
 Ga         0.5017606941        8.3332877745        6.4168097211
 Ga         3.5144748497        8.0818942152        9.5467134157
 Ga         7.7691388425        0.2471277045       -0.5696967089
 Ga         7.6340487993        0.1523921987        2.9067265811
 Ga         7.4985064113        1.2036787188        6.4366035571
 Ga         7.2413444334        1.0805447782        9.3204428106
 Ga         7.2030108875        2.9742220318        0.0964626266
 Ga         6.9385796653        3.4261913882        2.9551709119
 Ga         7.6734742826        4.0121152659        6.0461068191
 Ga         7.0752536320        4.0218364134        9.8745064105
 Ga         6.2416198804        5.6475817146        0.0007076717
 Ga         6.2718639785        6.0032238207        3.0248787282
 Ga         5.8354887109        6.7766962476        6.4861358004
 Ga         6.0307552004        6.4026156554        9.2878556119
 Ga         6.5990334858        8.2311744224       -0.2714171920
 Ga         7.6528283361        8.0989059232        2.6811202399
 Ga         3.3698219939        8.2224319267        6.5597571009
 Ga         6.0766902400        9.1089861774        9.5646805905
 Ga        10.5096237912        0.0914892665       -0.0362581327
 Ga        10.4373831443        0.4221083339        2.8031039132
 Ga        10.1579715566        0.5669179040        6.2365606487
 Ga         9.9160082641        1.1391650112        9.6410314358
  C         3.0244426829        5.4637576342       15.3473988495
  C         2.7903611874        6.4146801682       16.4457021405
  C         3.1762106562        5.9865487498       17.7576633965
  C         3.8906565323        4.7810635128       18.0337408051
  C         4.3004700344        3.9448312794       17.0083274677
  C         3.7775331369        4.1880673913       15.6446533184
  S         4.2468051780        2.9084945269       14.5095199812
  S         5.1955161752        2.4870193116       17.5490629801
  S         4.4531421943        4.6473937796       19.7359635491
  S         3.0357386069        7.1426189680       19.1122674244
  S         1.7714711129        7.7695430015       15.9071336380
  S         2.0090081131        5.6250438307       13.9306357917
  H         3.9119386509        3.5043230596       13.3598639931
  H         5.8306088208        2.1763756705       16.3243550216
  H         5.3984270258        3.6682338748       19.5370664477
  H         1.7751372484        7.0777945734       19.4880217967
  H         1.8756515120        8.5846689340       17.1802863483
  H         2.9988775046        5.7104683332       13.0322537931
      82
 i =     2652, time =     1326.000, E =     -4871.3356328152
 Ga        10.0501745107        2.4199091287       -0.1140367833
 Ga         9.6031609874        2.8185546847        3.0425612690
 Ga        10.3242020617        3.0879685680        6.5224307718
 Ga         9.7131041998        3.6959310534        9.1729109599
 Ga         9.1399125503        5.3359611190       -0.2494160909
 Ga         9.3354957019        5.5430538006        2.8061300043
 Ga         8.7001493933        6.4403560724        6.2603348788
 Ga         8.9001729064        6.6077076299        9.4802165868
 Ga         9.1414550608        8.4464370098        0.0103538843
 Ga        10.0844460299        8.7392569206        3.6748990773
 Ga         5.7087074518        9.6099822622        6.4440590800
 Ga         8.7589958165        9.3347797209        9.6122230831
 Ga         2.3289604049        1.6261855960        0.0669673440
 Ga         2.3508391155        1.3110105766        3.4830082873
 Ga         2.1627424328        0.0732263918        6.6497747099
 Ga         0.6245832818        8.4358292290        9.5835770247
 Ga         1.3882979285        4.2177174999        0.2358822734
 Ga         1.4796123794        3.9904317521        3.2904922763
 Ga         2.3818333836        2.8536443594        6.2677507630
 Ga         1.8293645215        0.0791465543        9.4467503446
 Ga         0.8887819911        6.8129429698        0.1997318207
 Ga         1.1116028223        6.8436899979        3.2294237512
 Ga         0.5710100637        5.6960275953        5.9969738059
 Ga         1.9562351900        2.8720022251        9.1749572368
 Ga         1.8942781217        9.2244614078        0.1735388073
 Ga         2.3892233358        9.4097675041        2.9200383865
 Ga         8.4644547525        9.1334269017        6.6856642300
 Ga         0.8347444297        5.6396701954        9.6964548139
 Ga         5.0613200677        1.5651003216       -0.0800277016
 Ga         5.2692013202        1.4264936952        3.3609929855
 Ga         4.9200184475        1.4552607032        6.3825209706
 Ga         4.4571907264        0.4620299870        9.8885185353
 Ga         4.0657682748        4.1960923790        0.1186053687
 Ga         4.0758798829        3.8602717050        3.0003558139
 Ga         5.1544438073        4.0781526458        6.5655466347
 Ga         4.8212620133        2.9990027019        9.3149643895
 Ga         3.7490133752        6.9370556146        0.1343816343
 Ga         3.6102692087        6.6980491797        3.4252082435
 Ga         2.9895719901        5.5319608211        6.9342538240
 Ga         3.5314755684        5.2106079765        9.6498504045
 Ga         4.5773666648        9.6442487100        0.0793746973
 Ga         5.2333132939        9.3278334831        3.0460992399
 Ga         0.5040041003        8.3710809770        6.4450540829
 Ga         3.5306795479        8.1181230218        9.5915876525
 Ga         7.8044316890        0.2476423489       -0.5718742282
 Ga         7.6703125723        0.1529419052        2.9205398717
 Ga         7.5342005384        1.2083827041        6.4659564781
 Ga         7.2738711700        1.0862030816        9.3604463498
 Ga         7.2346369478        2.9855180702        0.0953075181
 Ga         6.9699024654        3.4423879620        2.9685857093
 Ga         7.7068421909        4.0300110151        6.0753314266
 Ga         7.1059965901        4.0399663888        9.9179074449
 Ga         6.2698423504        5.6732181621        0.0008934238
 Ga         6.3012296840        6.0297148140        3.0393632063
 Ga         5.8600286069        6.8079601170        6.5159657295
 Ga         6.0573459560        6.4317925130        9.3273101846
 Ga         6.6298631379        8.2687987631       -0.2717005336
 Ga         7.6867596922        8.1354217996        2.6917359677
 Ga         3.3846734288        8.2592391440        6.5885171262
 Ga         6.1027437917        9.1520151119        9.6071936239
 Ga        10.5580239800        0.0912421515       -0.0353270552
 Ga        10.4854813851        0.4255905533        2.8150623390
 Ga        10.2030099637        0.5692410439        6.2650906738
 Ga         9.9614559876        1.1432603570        9.6829164084
  C         3.0397910351        5.4861515490       15.4146444562
  C         2.8055642274        6.4463491148       16.5145482335
  C         3.1911698510        6.0136078859       17.8407469274
  C         3.9054456606        4.8045524503       18.1151848458
  C         4.3200287093        3.9577774682       17.0873479901
  C         3.7936344663        4.2109951856       15.7084115938
  S         4.2648000846        2.9191390116       14.5762101031
  S         5.2178515964        2.4981461572       17.6296794125
  S         4.4716438115        4.6677167532       19.8246731528
  S         3.0507441485        7.1751021347       19.1973003851
  S         1.7786481634        7.8055860241       15.9806772021
  S         2.0187797958        5.6494016124       13.9946697323
  H         3.9107953265        3.5334960918       13.3673568109
  H         5.8563152685        2.2014834178       16.3985969727
  H         5.4222791830        3.6804382153       19.6254370995
  H         1.7575936660        7.1163856543       19.5715613341
  H         1.8850342443        8.6178310560       17.2468424474
  H         3.0245905223        5.7499233792       13.0703071375
      82
 i =     2653, time =     1326.500, E =     -4871.3201122270
 Ga        10.0872181205        2.4283373881       -0.1158958489
 Ga         9.6391787143        2.8311092610        3.0520309469
 Ga        10.3621308277        3.1006009861        6.5465287339
 Ga         9.7473510492        3.7098695535        9.2068847547
 Ga         9.1741747319        5.3561467504       -0.2497230911
 Ga         9.3713449437        5.5634205541        2.8168650632
 Ga         8.7314765682        6.4639167480        6.2843784889
 Ga         8.9349628616        6.6314460813        9.5154737626
 Ga         9.1735057118        8.4763754752        0.0108261966
 Ga        10.1213087126        8.7729057138        3.6888933874
 Ga         5.7293445121        9.6449697050        6.4694142576
 Ga         8.7907920022        9.3671356514        9.6472811277
 Ga         2.3367346510        1.6327351534        0.0649333183
 Ga         2.3585417724        1.3147139034        3.4956443779
 Ga         2.1714031005        0.0728340050        6.6737923014
 Ga         0.6273920712        8.4676751528        9.6179212378
 Ga         1.3919248310        4.2324315798        0.2353429012
 Ga         1.4864774281        4.0068310488        3.3030800376
 Ga         2.3911843612        2.8641065353        6.2908624528
 Ga         1.8381756599        0.0789116872        9.4802230070
 Ga         0.8927700489        6.8371144545        0.2011282467
 Ga         1.1154010435        6.8697505952        3.2414216589
 Ga         0.5737373259        5.7179929968        6.0197122974
 Ga         1.9641903673        2.8827475117        9.2082585935
 Ga         1.9017079122        9.2585305925        0.1747235142
 Ga         2.3959210356        9.4448113363        2.9284283472
 Ga         8.4955007025        9.1686723825        6.7080567238
 Ga         0.8371820787        5.6605174468        9.7320659878
 Ga         5.0802685730        1.5722285618       -0.0797350276
 Ga         5.2879179071        1.4327881784        3.3731191405
 Ga         4.9387788340        1.4594706388        6.4065412842
 Ga         4.4723970272        0.4635943954        9.9247499937
 Ga         4.0811723764        4.2113122438        0.1204309004
 Ga         4.0903798118        3.8739943500        3.0115800946
 Ga         5.1740138577        4.0932880445        6.5884215557
 Ga         4.8388580140        3.0110215536        9.3489492281
 Ga         3.7623955708        6.9623223409        0.1354609292
 Ga         3.6241561941        6.7217234381        3.4379894510
 Ga         3.0016757056        5.5518703976        6.9590691656
 Ga         3.5448658734        5.2280312341        9.6859479581
 Ga         4.5944347830        9.6805175304        0.0788162637
 Ga         5.2551681003        9.3620418361        3.0571425249
 Ga         0.5058290565        8.4019580335        6.4679739078
 Ga         3.5439487454        8.1476317464        9.6285322422
 Ga         7.8332500343        0.2479501130       -0.5735580895
 Ga         7.7002377555        0.1533779149        2.9319327361
 Ga         7.5636717083        1.2120968199        6.4899595038
 Ga         7.3003593938        1.0909827523        9.3926944373
 Ga         7.2602963717        2.9943447100        0.0940708661
 Ga         6.9954647120        3.4557379930        2.9795576931
 Ga         7.7338411036        4.0445503317        6.0995196434
 Ga         7.1308786542        4.0547477090        9.9530814844
 Ga         6.2928935950        5.6941441961        0.0010740076
 Ga         6.3253716079        6.0512045155        3.0513418751
 Ga         5.8797161933        6.8335882297        6.5404016729
 Ga         6.0789138492        6.4556631822        9.3590570320
 Ga         6.6552156941        8.2995749211       -0.2717515052
 Ga         7.7143341805        8.1652092486        2.7001227786
 Ga         3.3967151158        8.2892156241        6.6118254021
 Ga         6.1237512374        9.1874556635        9.6417497809
 Ga        10.5977018399        0.0908777121       -0.0343580443
 Ga        10.5249016481        0.4287241273        2.8246882800
 Ga        10.2396182825        0.5710688746        6.2884323353
 Ga         9.9986776497        1.1464022957        9.7167758828
  C         3.0528290952        5.5036358753       15.4695761609
  C         2.8184603628        6.4722104444       16.5695802860
  C         3.2033821001        6.0359000596       17.9089551022
  C         3.9170877727        4.8243450085       18.1817367140
  C         4.3358234277        3.9674045023       17.1518730437
  C         3.8066275552        4.2307179154       15.7594546295
  S         4.2792101075        2.9274398416       14.6307715571
  S         5.2358962503        2.5071976041       17.6955664996
  S         4.4864543105        4.6841379372       19.8969477210
  S         3.0632469778        7.2016777217       19.2664395532
  S         1.7843976741        7.8352700783       16.0412016625
  S         2.0269383041        5.6690718640       14.0470679790
  H         3.9067730762        3.5589394588       13.3661672351
  H         5.8755867462        2.2257498118       16.4620847857
  H         5.4402126812        3.6906101830       19.6971575072
  H         1.7380667762        7.1483103142       19.6381880087
  H         1.8928468442        8.6400009089       17.2943489954
  H         3.0469222587        5.7847282914       13.0977879302
      82
 i =     2654, time =     1327.000, E =     -4871.3063454544
 Ga        10.1113390198        2.4337235289       -0.1175905368
 Ga         9.6628663951        2.8400528568        3.0576046106
 Ga        10.3867992374        3.1092969459        6.5622509441
 Ga         9.7691292584        3.7190718580        9.2290850098
 Ga         9.1966968570        5.3694764122       -0.2497007029
 Ga         9.3952101750        5.5766749996        2.8239983210
 Ga         8.7516328557        6.4792289690        6.3003869419
 Ga         8.9583079338        6.6466982622        9.5385487337
 Ga         9.1938452156        8.4954540785        0.0112878704
 Ga        10.1452162506        8.7953230698        3.6981642313
 Ga         5.7426659354        9.6676071062        6.4864979572
 Ga         8.8113411615        9.3875115980        9.6699903626
 Ga         2.3415126910        1.6371937887        0.0628184537
 Ga         2.3632354607        1.3167422508        3.5038080025
 Ga         2.1772898176        0.0723507360        6.6892713147
 Ga         0.6294098397        8.4886746121        9.6399563365
 Ga         1.3937605823        4.2417381893        0.2345050550
 Ga         1.4914266223        4.0181017481        3.3114346228
 Ga         2.3974620648        2.8708955756        6.3059173654
 Ga         1.8446362789        0.0785888324        9.5015726814
 Ga         0.8956078796        6.8525311913        0.2022706093
 Ga         1.1177509597        6.8870109189        3.2492615356
 Ga         0.5757261357        5.7326243229        6.0347522440
 Ga         1.9696199207        2.8897918422        9.2297940729
 Ga         1.9067212176        9.2807564099        0.1756739070
 Ga         2.3995616004        9.4677650106        2.9330883449
 Ga         8.5156783524        9.1921846413        6.7218596381
 Ga         0.8385610135        5.6741266591        9.7552153145
 Ga         5.0927047339        1.5773357369       -0.0793380078
 Ga         5.2998570274        1.4372399256        3.3809265690
 Ga         4.9511983309        1.4618110408        6.4223687580
 Ga         4.4818737924        0.4645629674        9.9482705250
 Ga         4.0913457536        4.2211259906        0.1220977397
 Ga         4.0996448327        3.8827668274        3.0189465647
 Ga         5.1869585690        4.1031815691        6.6028696291
 Ga         4.8502698487        3.0191667447        9.3709778090
 Ga         3.7709542993        6.9786861565        0.1363710754
 Ga         3.6334323363        6.7368084828        3.4463714322
 Ga         3.0099363276        5.5646842982        6.9749614551
 Ga         3.5537128009        5.2387917303        9.7096589930
 Ga         4.6056135014        9.7044158585        0.0781672300
 Ga         5.2702858796        9.3842756423        3.0642806347
 Ga         0.5070054748        8.4220968815        6.4826303952
 Ga         3.5526696391        8.1667160064        9.6531601305
 Ga         7.8520311311        0.2479406734       -0.5744889086
 Ga         7.7203137054        0.1536307353        2.9395688121
 Ga         7.5834703462        1.2142725597        6.5056599484
 Ga         7.3174904746        1.0943836631        9.4129244884
 Ga         7.2766907443        2.9993501636        0.0927177767
 Ga         7.0120847853        3.4646664019        2.9867309840
 Ga         7.7509588793        4.0538957572        6.1158894098
 Ga         7.1466610468        4.0643370753        9.9755065294
 Ga         6.3079109927        5.7077701217        0.0012487626
 Ga         6.3414095587        6.0649435962        3.0594227419
 Ga         5.8918861331        6.8504697948        6.5564672396
 Ga         6.0926976935        6.4712903545        9.3788499579
 Ga         6.6720598517        8.3197265891       -0.2714495970
 Ga         7.7320461684        8.1845548415        2.7050588603
 Ga         3.4044045027        8.3085930115        6.6266791555
 Ga         6.1369331730        9.2111209062        9.6639669065
 Ga        10.6238326607        0.0903594980       -0.0333401799
 Ga        10.5508523718        0.4313068022        2.8306998647
 Ga        10.2631436012        0.5721440384        6.3037244349
 Ga        10.0231223301        1.1480741172        9.7381983251
  C         3.0621416896        5.5137552225       15.5051613882
  C         2.8277681384        6.4892837943       16.6033398876
  C         3.2113830191        6.0506908790       17.9540698244
  C         3.9238356664        4.8381947338       18.2250922771
  C         4.3458433882        3.9719981116       17.1940961336
  C         3.8148093841        4.2452477276       15.7906932554
  S         4.2880731040        2.9321163885       14.6664880539
  S         5.2472687672        2.5130421311       17.7386674069
  S         4.4955437356        4.6945245206       19.9437315991
  S         3.0717965004        7.2190596927       19.3109363266
  S         1.7879168204        7.8550116968       16.0813930467
  S         2.0325950098        5.6814841661       14.0814139119
  H         3.8987915140        3.5779752215       13.3525104917
  H         5.8857946184        2.2480017818       16.5073095347
  H         5.4495317995        3.6973367003       19.7432906916
  H         1.7175458607        7.1703950261       19.6785609032
  H         1.8982522667        8.6474874648       17.3153323132
  H         3.0634224837        5.8120594432       13.1098483340
      82
 i =     2655, time =     1327.500, E =     -4871.2973336415
 Ga        10.1224045113        2.4360399217       -0.1190968481
 Ga         9.6740864710        2.8453140491        3.0592691232
 Ga        10.3980722031        3.1139947875        6.5695100939
 Ga         9.7783335868        3.7234833680        9.2393870262
 Ga         9.2073481204        5.3758710215       -0.2493551096
 Ga         9.4069440200        5.5827443787        2.8274864768
 Ga         8.7605140667        6.4862091236        6.3082614115
 Ga         8.9700595839        6.6533863443        9.5493105515
 Ga         9.2023776066        8.5035797826        0.0117320690
 Ga        10.1560396804        8.8063700050        3.7026558165
 Ga         5.7486017831        9.6777742752        6.4951994878
 Ga         8.8205343367        9.3958162322        9.6802287505
 Ga         2.3432767397        1.6395312278        0.0606567807
 Ga         2.3649034528        1.3170962169        3.5074560634
 Ga         2.1803625149        0.0717858613        6.6961312444
 Ga         0.6306197585        8.4987046532        9.6495700286
 Ga         1.3938109400        4.2455939495        0.2333883820
 Ga         1.4944192743        4.0241637279        3.3155053137
 Ga         2.4006259540        2.8739745548        6.3128325367
 Ga         1.8486888290        0.0781846933        9.5106939097
 Ga         0.8972729410        6.8591179276        0.2031462651
 Ga         1.1186437176        6.8953676399        3.2528993137
 Ga         0.5769592161        5.7398318459        6.0420037992
 Ga         1.9724866766        2.8930949492        9.2394491263
 Ga         1.9092853857        9.2910148263        0.1763795488
 Ga         2.4001470015        9.4784979438        2.9340169357
 Ga         8.5248777933        9.2038168598        6.7270199194
 Ga         0.8388803325        5.6804217298        9.7657763128
 Ga         5.0985566138        1.5803795093       -0.0788447079
 Ga         5.3049607785        1.4398137497        3.3843746612
 Ga         4.9572026525        1.4622810168        6.4299106324
 Ga         4.4855821352        0.4649321654        9.9589521911
 Ga         4.0962277305        4.2254825351        0.1235831992
 Ga         4.1036288227        3.8865457308        3.0224127801
 Ga         5.1932008121        4.1077773729        6.6088241138
 Ga         4.8554360368        3.0233837637        9.3809315273
 Ga         3.7746468588        6.9860596752        0.1371012266
 Ga         3.6380393310        6.7432307139        3.4503060333
 Ga         3.0142969085        5.5703362592        6.9818513444
 Ga         3.5579634719        5.2428474162        9.7208464020
 Ga         4.6108395166        9.7158037936        0.0774395291
 Ga         5.2785575286        9.3944139209        3.0674756232
 Ga         0.5075270896        8.4313856185        6.4889504625
 Ga         3.5567919019        8.1752743276        9.6653186121
 Ga         7.8606712436        0.2476201314       -0.5746660306
 Ga         7.7304117518        0.1536999101        2.9433995623
 Ga         7.5934681259        1.2149048428        6.5129692440
 Ga         7.3251737434        1.0963784461        9.4210477628
 Ga         7.2837389505        3.0005295784        0.0912725273
 Ga         7.0196718217        3.4691167676        2.9900650461
 Ga         7.7581145219        4.0579997539        6.1243324903
 Ga         7.1532686219        4.0686830894        9.9850722991
 Ga         6.3148114907        5.7140210057        0.0014154064
 Ga         6.3492464960        6.0708635914        3.0635526153
 Ga         5.8964912397        6.8585059800        6.5640695672
 Ga         6.0986296324        6.4785856362        9.3866052861
 Ga         6.6802929546        8.3291394509       -0.2708054569
 Ga         7.7398054039        8.1933533341        2.7065321239
 Ga         3.4077040400        8.3172688337        6.6330063981
 Ga         6.1422311927        9.2228626280        9.6737308095
 Ga        10.6362632804        0.0896994524       -0.0322904920
 Ga        10.5631816025        0.4333080114        2.8330712182
 Ga        10.2734660226        0.5724646700        6.3108800798
 Ga        10.0346489788        1.1482774023        9.7470844269
  C         3.0676366885        5.5165235773       15.5212037748
  C         2.8334183530        6.4974444639       16.6157491827
  C         3.2151207884        6.0579051226       17.9757684398
  C         3.9256990246        4.8459570744       18.2449852594
  C         4.3500063542        3.9716441775       17.2137795925
  C         3.8181673309        4.2544095067       15.8020578738
  S         4.2913407117        2.9331910442       14.6831194520
  S         5.2519116806        2.5156556180       17.7587400494
  S         4.4988790305        4.6988260070       19.9647702810
  S         3.0762927552        7.2271441204       19.3305674609
  S         1.7891960927        7.8646737618       16.1009909017
  S         2.0357352562        5.6865845455       14.0974917821
  H         3.8874608323        3.5898011568       13.3281977671
  H         5.8870727968        2.2677957494       16.5337407410
  H         5.4501420558        3.7007028735       19.7635994739
  H         1.6976706275        7.1825519723       19.6922369711
  H         1.9012541510        8.6407689703       17.3104742613
  H         3.0731942611        5.8315026553       13.1073695964
      82
 i =     2656, time =     1328.000, E =     -4871.2956047060
 Ga        10.1175355103        2.4345857638       -0.1204070246
 Ga         9.6700991821        2.8461244856        3.0561225072
 Ga        10.3929902456        3.1138330693        6.5664389792
 Ga         9.7721538517        3.7220511616        9.2351664721
 Ga         9.2035201939        5.3738111361       -0.2486035818
 Ga         9.4038975017        5.5800401114        2.8265328929
 Ga         8.7556148249        6.4830098073        6.3062256692
 Ga         8.9677038475        6.6496068292        9.5450488588
 Ga         9.1964567927        8.4983114678        0.0121637374
 Ga        10.1508848275        8.8035680005        3.7013234088
 Ga         5.7455100945        9.6727109167        6.4937016666
 Ga         8.8158538350        9.3893399849        9.6752361323
 Ga         2.3413454116        1.6392913576        0.0583879958
 Ga         2.3628552619        1.3153810453        3.5055873995
 Ga         2.1800137476        0.0711066220        6.6924586592
 Ga         0.6308520410        8.4953624052        9.6439994222
 Ga         1.3916520430        4.2427760444        0.2319010909
 Ga         1.4950566369        4.0239033515        3.3143576154
 Ga         2.4000032305        2.8725247422        6.3098126710
 Ga         1.8498450637        0.0776675460        9.5048564496
 Ga         0.8975230962        6.8549066856        0.2037101412
 Ga         1.1177554932        6.8928752642        3.2514113710
 Ga         0.5772837541        5.7380011907        6.0397603469
 Ga         1.9722431093        2.8918366698        9.2345868275
 Ga         1.9088662167        9.2866646633        0.1768000112
 Ga         2.3969567325        9.4743208360        2.9303369080
 Ga         8.5206718961        9.2009799786        6.7215827280
 Ga         0.8378904809        5.6777883616        9.7609690391
 Ga         5.0963788035        1.5809347651       -0.0782216007
 Ga         5.3017075859        1.4401187876        3.3824958452
 Ga         4.9553930466        1.4604434846        6.4273475094
 Ga         4.4822243138        0.4645674152        9.9539582082
 Ga         4.0946605932        4.2231752748        0.1248782020
 Ga         4.1011549167        3.8842167328        3.0211220397
 Ga         5.1912742623        4.1059088777        6.6043806571
 Ga         4.8529726904        3.0228298716        9.3761361031
 Ga         3.7723913450        6.9824508002        0.1376235627
 Ga         3.6369539350        6.7390536824        3.4488148223
 Ga         3.0139200231        5.5672334585        6.9777393648
 Ga         3.5566124464        5.2386752199        9.7167556089
 Ga         4.6088050256        9.7119322669        0.0765954402
 Ga         5.2785290144        9.3897820930        3.0658518383
 Ga         0.5072488207        8.4274272620        6.4850733939
 Ga         3.5553084572        8.1709738959        9.6622884196
 Ga         7.8569355930        0.2469068159       -0.5739175515
 Ga         7.7283635085        0.1535398181        2.9425993267
 Ga         7.5915360199        1.2136345553        6.5100382634
 Ga         7.3213198220        1.0966700088        9.4143436117
 Ga         7.2793515653        2.9969905607        0.0896803650
 Ga         7.0162273645        3.4681144307        2.9887103572
 Ga         7.7530757152        4.0557021356        6.1231403400
 Ga         7.1486429583        4.0666268324        9.9789125430
 Ga         6.3117985935        5.7112718198        0.0015769113
 Ga         6.3470939672        6.0672239309        3.0628745007
 Ga         5.8918200512        6.8557560145        6.5613495784
 Ga         6.0949614996        6.4757102659        9.3796047919
 Ga         6.6780323079        8.3254500827       -0.2697237180
 Ga         7.7353971704        8.1892709464        2.7037441899
 Ga         3.4056366651        8.3128693656        6.6289030314
 Ga         6.1378707806        9.2200886609        9.6682744850
 Ga        10.6319828822        0.0888585848       -0.0311796059
 Ga        10.5588989377        0.4346330649        2.8309824911
 Ga        10.2676463369        0.5718629119        6.3081090279
 Ga        10.0304134975        1.1466652737        9.7406285877
  C         3.0684624368        5.5103484262       15.5132524432
  C         2.8346591173        6.4948569020       16.6020173107
  C         3.2136803084        6.0558420975       17.9689337761
  C         3.9215343678        4.8462571780       18.2362039848
  C         4.3470384263        3.9651785865       17.2060513234
  C         3.8156235919        4.2570263555       15.7889726052
  S         4.2877568895        2.9298034784       14.6764779722
  S         5.2483025937        2.5143248619       17.7507556473
  S         4.4951480285        4.6956921553       19.9543694660
  S         3.0758522579        7.2238758356       19.3198114240
  S         1.7877135053        7.8620187773       16.0954244198
  S         2.0358127499        5.6827366899       14.0912893857
  H         3.8716232450        3.5932124086       13.2894655871
  H         5.8779026759        2.2846246776       16.5364282313
  H         5.4404389453        3.6996102110       19.7524286830
  H         1.6784700061        7.1828856314       19.6732913646
  H         1.9013951382        8.6176474624       17.2752641101
  H         3.0750164875        5.8415356293       13.0868331831
      82
 i =     2657, time =     1328.500, E =     -4871.3005126031
 Ga        10.0972235499        2.4294792064       -0.1215292969
 Ga         9.6513755507        2.8426265338        3.0483107414
 Ga        10.3720584158        3.1089658733        6.5533567184
 Ga         9.7510620054        3.7149567760        9.2168728967
 Ga         9.1856610400        5.3635587681       -0.2474571893
 Ga         9.3865296097        5.5688336731        2.8212757313
 Ga         8.7373592896        6.4699461309        6.2945875117
 Ga         8.9516805008        6.6356820102        9.5262279791
 Ga         9.1765285641        8.4800597081        0.0125842705
 Ga        10.1302445084        8.7873468398        3.6943477790
 Ga         5.7336696273        9.6528866649        6.4823228172
 Ga         8.7977273693        9.3685361830        9.6554822727
 Ga         2.3358313431        1.6365545610        0.0560103890
 Ga         2.3572039676        1.3116595068        3.4983722599
 Ga         2.1763505644        0.0703152295        6.6785780191
 Ga         0.6301382243        8.4790623721        9.6237114435
 Ga         1.3873493755        4.2334892452        0.2300526327
 Ga         1.4934137541        4.0175186318        3.3081535298
 Ga         2.3957111245        2.8666855349        6.2971643322
 Ga         1.8481972922        0.0770403934        9.4845198127
 Ga         0.8964029512        6.8402294811        0.2039734918
 Ga         1.1151401983        6.8798703483        3.2449558722
 Ga         0.5767285064        5.7274130291        6.0283163358
 Ga         1.9689859752        2.8861577174        9.2156554185
 Ga         1.9055574039        9.2681573953        0.1769443330
 Ga         2.3901049702        9.4556944399        2.9221878360
 Ga         8.5034745860        9.1841229597        6.7058711730
 Ga         0.8356317945        5.6665026929        9.7412677567
 Ga         5.0864188292        1.5790797331       -0.0774713883
 Ga         5.2903542386        1.4382261860        3.3754539744
 Ga         4.9460110237        1.4563677466        6.4149926145
 Ga         4.4720167904        0.4634912957        9.9337720323
 Ga         4.0868438035        4.2144089758        0.1259913751
 Ga         4.0924217218        3.8759681288        3.0152214009
 Ga         5.1814322683        4.0977756785        6.5898576318
 Ga         4.8431154799        3.0176530680        9.3570468231
 Ga         3.7643702311        6.9681986494        0.1379459994
 Ga         3.6303545081        6.7246031888        3.4420658061
 Ga         3.0089538009        5.5556460018        6.9629636442
 Ga         3.5498328998        5.2265277665        9.6978603385
 Ga         4.5997343064        9.6932752447        0.0756370208
 Ga         5.2704605470        9.3708364506        3.0595582163
 Ga         0.5061951886        8.4106318629        6.4713131506
 Ga         3.5483924249        8.1542110244        9.6445419684
 Ga         7.8412061000        0.2458117926       -0.5722707087
 Ga         7.7145468658        0.1531581103        2.9373120137
 Ga         7.5780449849        1.2105194333        6.4971835461
 Ga         7.3062840805        1.0953130381        9.3932666201
 Ga         7.2638811880        2.9888765014        0.0879433532
 Ga         7.0020924720        3.4618286899        2.9828124287
 Ga         7.7362170011        4.0471993172        6.1126137321
 Ga         7.1331293598        4.0583659967        9.9575095439
 Ga         6.2991793692        5.6998000673        0.0017336074
 Ga         6.3352622274        6.0543180195        3.0575384980
 Ga         5.8781566014        6.8425539355        6.5486266209
 Ga         6.0819887456        6.4629798111        9.3582998583
 Ga         6.6656040157        8.3090634507       -0.2682155838
 Ga         7.7191967025        8.1727054205        2.6968236892
 Ga         3.3983672777        8.2957980922        6.6146898751
 Ga         6.1241475607        9.2032495468        9.6480667330
 Ga        10.6115094473        0.0878396542       -0.0300078020
 Ga        10.5385184843        0.4353052515        2.8245698912
 Ga        10.2461827309        0.5703662121        6.2957181594
 Ga        10.0109045828        1.1432911228        9.7193018082
  C         3.0647539293        5.4955291338       15.4820414009
  C         2.8316359701        6.4818324646       16.5629840256
  C         3.2072099684        6.0448137896       17.9344021143
  C         3.9115488250        4.8392932173       18.1996221013
  C         4.3371259781        3.9528362350       17.1717512117
  C         3.8073895507        4.2532573231       15.7522268078
  S         4.2775217979        2.9221011554       14.6472608102
  S         5.2366857986        2.5091746412       17.7155943216
  S         4.4845611840        4.6853555888       19.9135015849
  S         3.0706042123        7.2096074100       19.2796109209
  S         1.7835519171        7.8474061876       16.0654395720
  S         2.0329359637        5.6702168536       14.0634785796
  H         3.8516098985        3.5881888295       13.2374141828
  H         5.8589266412        2.2983976308       16.5155881981
  H         5.4208491274        3.6940685378       19.7107038828
  H         1.6606427722        7.1717999824       19.6225683059
  H         1.8988742099        8.5793026816       17.2117204294
  H         3.0687538968        5.8423685111       13.0492104168
      82
 i =     2658, time =     1329.000, E =     -4871.3096734584
 Ga        10.0625573959        2.4209842230       -0.1224726413
 Ga         9.6189544449        2.8351199910        3.0361684592
 Ga        10.3363959263        3.0997248863        6.5309695398
 Ga         9.7161142709        3.7025999117        9.1855003519
 Ga         9.1547592548        5.3456907852       -0.2459450241
 Ga         9.3558474964        5.5497262935        2.8120180458
 Ga         8.7066919982        6.4477165726        6.2740222450
 Ga         8.9229494088        6.6123296064        9.4938743768
 Ga         9.1435895230        8.4497424631        0.0129935747
 Ga        10.0952122480        8.7586492756        3.6821261849
 Ga         5.7137000135        9.6193442910        6.4617566938
 Ga         8.7671054941        9.3344219556        9.6220101737
 Ga         2.3269893587        1.6314952409        0.0535366128
 Ga         2.3482066648        1.3060773848        3.4861888975
 Ga         2.1696055014        0.0694211899        6.6552111061
 Ga         0.6285445777        8.4507170437        9.5897471828
 Ga         1.3810577955        4.2181926707        0.2278727179
 Ga         1.4896470673        4.0054372120        3.2972487227
 Ga         2.3880060678        2.8567663384        6.2755664568
 Ga         1.8439369847        0.0763132119        9.4507112533
 Ga         0.8940066223        6.8158276605        0.2039562497
 Ga         1.1109192967        6.8570924075        3.2338826488
 Ga         0.5753532617        5.7086821766        6.0083196099
 Ga         1.9629248686        2.8763689248        9.1836507022
 Ga         1.8995629295        9.2364924610        0.1768292393
 Ga         2.3798574150        9.4236370153        2.9098934672
 Ga         8.4742033517        9.1542303244        6.6806159829
 Ga         0.8321969651        5.6471757355        9.7077237346
 Ga         5.0692237609        1.5749794518       -0.0766042708
 Ga         5.2714738567        1.4342871534        3.3636138907
 Ga         4.9295877082        1.4502148608        6.3935361573
 Ga         4.4554464250        0.4617544788        9.8994661655
 Ga         4.0732167525        4.1996390339        0.1269319974
 Ga         4.0778726694        3.8622199015        3.0050356018
 Ga         5.1642319271        4.0838193426        6.5659694091
 Ga         4.8263872672        3.0081753591        9.3246741517
 Ga         3.7509908825        6.9440558863        0.1380817202
 Ga         3.6186313980        6.7006075476        3.4304300142
 Ga         2.9997192220        5.5361749697        6.9382779556
 Ga         3.5380063181        5.2069754542        9.6652057484
 Ga         4.5841227893        9.6608766075        0.0745746108
 Ga         5.2549114055        9.3385882058        3.0489256504
 Ga         0.5044208609        8.3819068053        6.4483704557
 Ga         3.5364256884        8.1258662864        9.6131145559
 Ga         7.8143283177        0.2443636801       -0.5697891564
 Ga         7.6897881147        0.1525721125        2.9278522741
 Ga         7.5538061937        1.2056923024        6.4751049494
 Ga         7.2808557386        1.0924230769        9.3588381312
 Ga         7.2381147681        2.9765181040        0.0860761229
 Ga         6.9780229682        3.4506303630        2.9726930035
 Ga         7.7083772382        4.0329286218        6.0934065501
 Ga         7.1075012480        4.0443388167        9.9219416222
 Ga         6.2776336924        5.6802203967        0.0018849232
 Ga         6.3144317472        6.0328010228        3.0478718729
 Ga         5.8561417272        6.8196359788        6.5266051348
 Ga         6.0603703291        6.4410912274        9.3237079455
 Ga         6.6437238292        8.2808745083       -0.2663130968
 Ga         7.6920394961        8.1445388330        2.6860661428
 Ga         3.3862638126        8.2669513420        6.5910835532
 Ga         6.1017265125        9.1733323062        9.6141514191
 Ga        10.5759849369        0.0866539535       -0.0287826650
 Ga        10.5031741333        0.4353661039        2.8141403988
 Ga        10.2101840614        0.5680371279        6.2743854333
 Ga         9.9772006389        1.1382810143        9.6841592620
  C         3.0568150830        5.4727117305       15.4292159153
  C         2.8246465676        6.4590731536       16.5004964667
  C         3.1960455948        6.0254873126       17.8740665695
  C         3.8961913488        4.8255352916       18.1371972314
  C         4.3207212322        3.9351024363       17.1127315265
  C         3.7939086228        4.2434831886       15.6935646879
  S         4.2610991452        2.9104077463       14.5970339960
  S         5.2176189984        2.5004762479       17.6551903212
  S         4.4675987748        4.6683348260       19.8443261387
  S         3.0608622456        7.1851207828       19.2120576493
  S         1.7768988080        7.8216472716       16.0127054263
  S         2.0273198539        5.6496417904       14.0155621314
  H         3.8279833999        3.5750034230       13.1738582373
  H         5.8313058835        2.3090264297       16.4721134074
  H         5.3923072328        3.6841424882       19.6405065089
  H         1.6447993138        7.1501001462       19.5422018341
  H         1.8940518580        8.5278479377       17.1235271270
  H         3.0546260391        5.8345170312       12.9961373242
      82
 i =     2659, time =     1329.500, E =     -4871.3190912004
 Ga        10.0174772095        2.4100522409       -0.1232709892
 Ga         9.5765952489        2.8246911216        3.0209031458
 Ga        10.2900515579        3.0873094849        6.5018333567
 Ga         9.6711312269        3.6864265712        9.1446440312
 Ga         9.1143930618        5.3222949327       -0.2441711519
 Ga         9.3154980600        5.5248919056        2.7998564952
 Ga         8.6670297928        6.4188468957        6.2469752120
 Ga         8.8849841326        6.5821453359        9.4517024296
 Ga         9.1012383600        8.4106810892        0.0133917588
 Ga        10.0497442277        8.7208892466        3.6660960012
 Ga         5.6878420620        9.5758554989        6.4345153942
 Ga         8.7274263917        9.2906739665        9.5785922257
 Ga         2.3157399101        1.6247458511        0.0510115876
 Ga         2.3367926458        1.2991586489        3.4704048801
 Ga         2.1606206136        0.0684585158        6.6249688279
 Ga         0.6263112347        8.4136279619        9.5458723351
 Ga         1.3733349560        4.1985464683        0.2254658612
 Ga         1.4843247849        3.9892092131        3.2829300019
 Ga         2.3778174870        2.8438867862        6.2474760892
 Ga         1.8377624980        0.0755210325        9.4071457491
 Ga         0.8906763606        6.7843810263        0.2037308846
 Ga         1.1055319782        6.8272178231        3.2194575373
 Ga         0.5733762481        5.6840341507        5.9821153748
 Ga         1.9548202948        2.8635954176        9.1421737603
 Ga         1.8916208825        9.1952856957        0.1765176854
 Ga         2.3671693652        9.3818341818        2.8946190319
 Ga         8.4361775458        9.1148684998        6.6484577325
 Ga         0.8279186772        5.6220178881        9.6641401000
 Ga         5.0467751922        1.5692353517       -0.0756566955
 Ga         5.2471386617        1.4288518324        3.3482955363
 Ga         4.9080469501        1.4425654519        6.3654758922
 Ga         4.4342716460        0.4595395719        9.8549202600
 Ga         4.0553702255        4.1805132069        0.1277349479
 Ga         4.0591107186        3.8444898362        2.9917398148
 Ga         5.1416893758        4.0656379299        6.5353002955
 Ga         4.8046793125        2.9955646246        9.2826728979
 Ga         3.7337270788        6.9127445918        0.1380784607
 Ga         3.6031951351        6.6697006321        3.4152494001
 Ga         2.9873792500        5.5109933445        6.9064081298
 Ga         3.5225141797        5.1820764562        9.6225715543
 Ga         4.5637635530        9.6185115400        0.0734454521
 Ga         5.2339106845        9.2966953596        3.0351501285
 Ga         0.5021237544        8.3445336740        6.4187788203
 Ga         3.5207906847        8.0891255232        9.5717531844
 Ga         7.7793618834        0.2426649202       -0.5667022483
 Ga         7.6570799446        0.1518429513        2.9153597864
 Ga         7.5217584400        1.1996326874        6.4463354058
 Ga         7.2478898409        1.0884187081        9.3147480157
 Ga         7.2048966019        2.9611052257        0.0841290900
 Ga         6.9467523894        3.4358629454        2.9595153630
 Ga         7.6725892852        4.0144728705        6.0678863106
 Ga         7.0745547356        4.0261302409        9.8761093566
 Ga         6.2496198767        5.6547571744        0.0020294693
 Ga         6.2870653611        6.0050431841        3.0350595057
 Ga         5.8280893508        6.7896666757        6.4978354017
 Ga         6.0324881437        6.4125645403        9.2795070536
 Ga         6.6149825596        8.2441222484       -0.2641314215
 Ga         7.6569457951        8.1079620783        2.6725394082
 Ga         3.3706569299        8.2295708314        6.5606750316
 Ga         6.0730121685        9.1339111896        9.5703030023
 Ga        10.5295416630        0.0853435960       -0.0275285959
 Ga        10.4569700817        0.4349689967        2.8008039966
 Ga        10.1636586399        0.5651018575        6.2465646318
 Ga         9.9332025920        1.1320915286        9.6390138765
  C         3.0457945083        5.4441287059       15.3607813896
  C         2.8147657172        6.4291283868       16.4211186272
  C         3.1814289703        6.0002261644       17.7948819100
  C         3.8770271664        4.8067979722       18.0560324991
  C         4.2995185587        3.9136015271       17.0356953295
  C         3.7767055087        4.2292432992       15.6192055791
  S         4.2401761054        2.8958776544       14.5315031240
  S         5.1931449637        2.4892072121       17.5764867886
  S         4.4460156974        4.6464826328       19.7546370235
  S         3.0478092973        7.1532356436       19.1246990094
  S         1.7684445411        7.7877528892       15.9433917591
  S         2.0197347776        5.6232369416       13.9530140725
  H         3.8024116680        3.5550380449       13.1042764489
  H         5.7980483086        2.3169065696       16.4112224700
  H         5.3575034595        3.6707588949       19.5494863783
  H         1.6318130394        7.1205970409       19.4400403266
  H         1.8878801009        8.4683463758       17.0200121327
  H         3.0339389361        5.8200896971       12.9328101420
      82
 i =     2660, time =     1330.000, E =     -4871.3258734200
 Ga         9.9643762218        2.3972606541       -0.1239696505
 Ga         9.5265949440        2.8120404755        3.0032186493
 Ga        10.2354843628        3.0724749601        6.4675026481
 Ga         9.6184077272        3.6673227184        9.0964937427
 Ga         9.0667477917        5.2946495078       -0.2421872637
 Ga         9.2677246177        5.4956520322        2.7854650413
 Ga         8.6204365743        6.3848720174        6.2149506868
 Ga         8.8399310334        6.5466959864        9.4019751915
 Ga         9.0516376172        8.3648713179        0.0137869362
 Ga         9.9962394090        8.6761671656        3.6471390032
 Ga         5.6574523728        9.5247045743        6.4021552859
 Ga         8.6807716938        9.2394910791        9.5275150667
 Ga         2.3026275764        1.6167003442        0.0484215485
 Ga         2.3235104502        1.2912028677        3.4518483013
 Ga         2.1499207720        0.0674361148        6.5894294904
 Ga         0.6235945526        8.3698146431        9.4943583844
 Ga         1.3644922878        4.1755457601        0.2228707283
 Ga         1.4778158463        3.9698071980        3.2659874572
 Ga         2.3657191678        2.8287256580        6.2143860474
 Ga         1.8301348604        0.0746771483        9.3560585754
 Ga         0.8866318277        6.7475015929        0.2033535932
 Ga         1.0992376282        6.7918875898        3.2024507249
 Ga         0.5709404812        5.6548374080        5.9511409477
 Ga         1.9451461697        2.8485227515        9.0934065663
 Ga         1.8821897985        9.1467369652        0.1760559382
 Ga         2.3525853460        9.3325320490        2.8770328033
 Ga         8.3914123724        9.0682332239        6.6109607923
 Ga         0.8229894418        5.5923746077        9.6128257721
 Ga         5.0202812732        1.5622357571       -0.0746400131
 Ga         5.2185945865        1.4222717586        3.3302963161
 Ga         4.8825668578        1.4337517160        6.3323396060
 Ga         4.4095390289        0.4569549803        9.8024881699
 Ga         4.0342778758        4.1580268515        0.1284458436
 Ga         4.0371012403        3.8236925614        2.9760510672
 Ga         5.1150400058        4.0442043015        6.4993974048
 Ga         4.7791389924        2.9805455301        9.2332594621
 Ga         3.7134659097        6.8759148849        0.1379763032
 Ga         3.5849172749        6.6334665861        3.3973428462
 Ga         2.9726601169        5.4814147226        6.8689961369
 Ga         3.5042020906        5.1530538737        9.5722667378
 Ga         4.5397488903        9.5684904734        0.0722575276
 Ga         5.2087356691        9.2473789918        3.0189564602
 Ga         0.4994234482        8.3005095074        6.3840649242
 Ga         3.5023308700        8.0459179509        9.5227649633
 Ga         7.7381661358        0.2407670658       -0.5631402450
 Ga         7.6182716430        0.1510073696        2.9005379880
 Ga         7.4837192795        1.1926202107        6.4124176414
 Ga         7.2091145467        1.0835701983        9.2631997688
 Ga         7.1659407809        2.9433241155        0.0821046286
 Ga         6.9099414226        3.4183547586        2.9439888952
 Ga         7.6306733238        3.9927862389        6.0375233683
 Ga         7.0359689216        4.0047014563        9.8223577988
 Ga         6.2166336890        5.6247612571        0.0021688093
 Ga         6.2546755179        5.9724712683        3.0198364652
 Ga         5.7953728328        6.7542751373        6.4638746199
 Ga         5.9997763103        6.3789368983        9.2278881183
 Ga         6.5809721811        8.2007803108       -0.2617232101
 Ga         7.6157394546        8.0649120663        2.6568653608
 Ga         3.3523469857        8.1856197996        6.5250224633
 Ga         6.0394406095        9.0871876141        9.5188009940
 Ga        10.4747069215        0.0839168056       -0.0262409120
 Ga        10.4024148982        0.4342348348        2.7852219918
 Ga        10.1090278431        0.5616906243        6.2137513140
 Ga         9.8812932057        1.1249800507        9.5861510607
  C         3.0324271902        5.4110877237       15.2803770114
  C         2.8026923836        6.3935456142       16.3287561246
  C         3.1641043166        5.9705035534       17.7010805663
  C         3.8549817303        4.7842172654       17.9604491570
  C         4.2745134540        3.8892604066       16.9447088430
  C         3.7567200945        4.2115226402       15.5328605180
  S         4.2157468448        2.8791794158       14.4541299139
  S         5.1644791208        2.4759562214       17.4837282581
  S         4.4208429712        4.6209169346       19.6491641942
  S         3.0321798113        7.1156768558       19.0221015232
  S         1.7585911513        7.7475500629       15.8612443673
  S         2.0106644683        5.5923343572       13.8791622670
  H         3.7757408185        3.5291096006       13.0317183513
  H         5.7612097253        2.3224736891       16.3357106228
  H         5.3181880340        3.6542146877       19.4421942056
  H         1.6219199372        7.0850620717       19.3206737715
  H         1.8811415139        8.4043837561       16.9077660581
  H         3.0075567386        5.8005920730       12.8621379214
      82
 i =     2661, time =     1330.500, E =     -4871.3291638954
 Ga         9.9064715474        2.3833867972       -0.1245928722
 Ga         9.4720209239        2.7980473417        2.9841061618
 Ga        10.1760006140        3.0561956566        6.4300636049
 Ga         9.5610682695        3.6464676863        9.0439845260
 Ga         9.0147432908        5.2644576290       -0.2400812049
 Ga         9.2154999158        5.4637819707        2.7697375801
 Ga         8.5697044684        6.3478542756        6.1799417523
 Ga         8.7906200261        6.5081028276        9.3477247520
 Ga         8.9977309118        8.3150290309        0.0141775082
 Ga         9.9379289718        8.6272661860        3.6264276886
 Ga         5.6243613054        9.4689726726        6.3667216434
 Ga         8.6299503114        9.1838814020        9.4718606742
 Ga         2.2884068545        1.6078730986        0.0458107304
 Ga         2.3091217789        1.2826414672        3.4316366719
 Ga         2.1381913222        0.0663838225        6.5507262014
 Ga         0.6205886252        8.3219705341        9.4382834993
 Ga         1.3549903248        4.1505484983        0.2201768812
 Ga         1.4705794290        3.9484917223        3.2474706684
 Ga         2.3524687062        2.8121976473        6.1783024009
 Ga         1.8216173037        0.0738115442        9.3004876584
 Ga         0.8821500481        6.7073809024        0.2028810193
 Ga         1.0923963385        6.7532844082        3.1838958180
 Ga         0.5682220209        5.6229061991        5.9173088660
 Ga         1.9345209627        2.8320695009        9.0402907772
 Ga         1.8718702937        9.0937983779        0.1754934379
 Ga         2.3368919687        9.2787385538        2.8580934633
 Ga         8.3426182218        9.0172312458        6.5702887737
 Ga         0.8176826549        5.5600504192        9.5568868711
 Ga         4.9913591652        1.5544673065       -0.0735860529
 Ga         5.1875360279        1.4149927537        3.3106949265
 Ga         4.8547165672        1.4242515530        6.2961648940
 Ga         4.3826883008        0.4541503743        9.7453392181
 Ga         4.0112376184        4.1335266136        0.1290885347
 Ga         4.0131551877        3.8010689027        2.9589286450
 Ga         5.0859281587        4.0208230787        6.4603747155
 Ga         4.7513107763        2.9640689103        9.1794190053
 Ga         3.6914124659        6.8357901158        0.1378121747
 Ga         3.5649474880        6.5940588891        3.3778058010
 Ga         2.9565080275        5.4492148642        6.8282706230
 Ga         3.4841970469        5.1215939062        9.5173762453
 Ga         4.5135422863        9.5138933861        0.0710433288
 Ga         5.1810343364        9.1936259963        3.0013218319
 Ga         0.4964817232        8.2525134112        6.3462997766
 Ga         3.4821744820        7.9988459621        9.4692042253
 Ga         7.6932393326        0.2387558285       -0.5592929530
 Ga         7.5758015039        0.1501156830        2.8843154874
 Ga         7.4420830617        1.1850485681        6.3754188627
 Ga         7.1668623911        1.0782163164        9.2072138297
 Ga         7.1235724107        2.9241531609        0.0800484352
 Ga         6.8698222965        3.3992004566        2.9270630000
 Ga         7.5851100194        3.9691621739        6.0042456038
 Ga         6.9940306260        3.9813468454        9.7638770597
 Ga         6.1806822681        5.5920490393        0.0023009810
 Ga         6.2192700247        5.9370232031        3.0031676987
 Ga         5.7598873504        6.7156352414        6.4268032466
 Ga         5.9641823115        6.3422650072        9.1718622884
 Ga         6.5438044989        8.1534922382       -0.2591863468
 Ga         7.5708889834        8.0179946068        2.6399206911
 Ga         3.3324217381        8.1377463647        6.4862441112
 Ga         6.0029797660        9.0360751913        9.4627303714
 Ga        10.4148519469        0.0824105316       -0.0249437785
 Ga        10.3428573671        0.4332839400        2.7683032013
 Ga        10.0495672499        0.5579893958        6.1779479643
 Ga         9.8246557584        1.1173226237        9.5286903153
  C         3.0176323762        5.3754460993       15.1928789238
  C         2.7892886631        6.3544392093       16.2287913681
  C         3.1450865468        5.9382405570       17.5983444278
  C         3.8313351304        4.7592577489       17.8562540303
  C         4.2471053508        3.8634111295       16.8452519234
  C         3.7352098258        4.1915352555       15.4396127329
  S         4.1891999553        2.8612494175       14.3695782049
  S         5.1332903849        2.4615150555       17.3825988704
  S         4.3935128246        4.5931621515       19.5342839647
  S         3.0149511004        7.0747527594       18.9104354680
  S         1.7478944059        7.7034783061       15.7712568360
  S         2.0007157140        5.5587533888       13.7984807323
  H         3.7492784148        3.4984949455       12.9603792754
  H         5.7235299681        2.3259471123       16.2493584317
  H         5.2768862080        3.6349444881       19.3248542009
  H         1.6153570763        7.0457991553       19.1907000401
  H         1.8747678228        8.3408460408       16.7955923141
  H         2.9769457910        5.7777749623       12.7880273635
      82
 i =     2662, time =     1331.000, E =     -4871.3278216200
 Ga         9.8479689401        2.3694457341       -0.1251950617
 Ga         9.4168958692        2.7839003072        2.9648328102
 Ga        10.1159218938        3.0397706900        6.3922459996
 Ga         9.5031727429        3.6254103769        8.9909581779
 Ga         8.9622078643        5.2339552321       -0.2379558953
 Ga         9.1627373733        5.4316030173        2.7538505082
 Ga         8.5184724035        6.3104902520        6.1445725417
 Ga         8.7407848356        6.4691293249        9.2929214010
 Ga         8.9433423378        8.2646839964        0.0145691975
 Ga         9.8790328813        8.5778502112        3.6055029712
 Ga         5.5909573930        9.4126808623        6.3309176014
 Ga         8.5786274020        9.1277444211        9.4156529297
 Ga         2.2740497635        1.5989462932        0.0431977989
 Ga         2.2946071362        1.2740199479        3.4112278832
 Ga         2.1263408483        0.0653295243        6.5116404276
 Ga         0.6175573315        8.2736298124        9.3816558589
 Ga         1.3454045170        4.1253171692        0.2174778034
 Ga         1.4632389389        3.9269402458        3.2287596021
 Ga         2.3390651600        2.7954970176        6.1418483000
 Ga         1.8129824175        0.0729557651        9.2443832002
 Ga         0.8776047951        6.6668681089        0.2023991782
 Ga         1.0854716287        6.7142761546        3.1651449185
 Ga         0.5654614236        5.5906280946        5.8831316413
 Ga         1.9237650663        2.8154383537        8.9866662140
 Ga         1.8614575353        9.0403321794        0.1749030591
 Ga         2.3210825184        9.2243931989        2.8390154953
 Ga         8.2933374373        8.9656911315        6.5292318398
 Ga         0.8123462828        5.5274068606        9.5003822421
 Ga         4.9621275370        1.5465889542       -0.0725262203
 Ga         5.1561656241        1.4076147486        3.2908971780
 Ga         4.8265567570        1.4146698652        6.2596257886
 Ga         4.3555805844        0.4513188333        9.6876129199
 Ga         3.9879530472        4.1087675007        0.1297176693
 Ga         3.9889777886        3.7782336392        2.9416291907
 Ga         5.0565136424        3.9972017497        6.4209744563
 Ga         4.7232123488        2.9473926023        9.1250499305
 Ga         3.6691342297        6.7952734467        0.1376447406
 Ga         3.5448020694        6.5542777301        3.3580736203
 Ga         2.9401788179        5.4167086584        6.7871312568
 Ga         3.4639784677        5.0898737879        9.4619440988
 Ga         4.4870599756        9.4587623973        0.0698320625
 Ga         5.1530050478        9.1393403272        2.9835218023
 Ga         0.4935094749        8.2040508860        6.3081787457
 Ga         3.4617999119        7.9513059793        9.4150935236
 Ga         7.6478480461        0.2367327795       -0.5553994283
 Ga         7.5328872107        0.1492328999        2.8679173046
 Ga         7.4000109983        1.1774212900        6.3380455390
 Ga         7.1241765956        1.0728154282        9.1507010391
 Ga         7.0808176068        2.9048353357        0.0779936619
 Ga         6.8293130595        3.3798430971        2.9099812487
 Ga         7.5391209677        3.9452848314        5.9706034629
 Ga         6.9517106418        3.9577569631        9.7048134395
 Ga         6.1443914751        5.5589947419        0.0024261310
 Ga         6.1834894702        5.9012198652        2.9863293353
 Ga         5.7240791350        6.6765989488        6.3893494505
 Ga         5.9282393213        6.3052432858        9.1153243666
 Ga         6.5062579044        8.1057199823       -0.2566314126
 Ga         7.5256105399        7.9706147898        2.6228259906
 Ga         3.3122957244        8.0894065950        6.4470937974
 Ga         5.9661788638        8.9844115413        9.4061107975
 Ga        10.3544001135        0.0808571539       -0.0236486786
 Ga        10.2826900100        0.4323003729        2.7512233357
 Ga         9.9895456112        0.5542343875        6.1417776962
 Ga         9.7674637846        1.1095922837        9.4706786420
  C         3.0026635709        5.3395481929       15.1046851951
  C         2.7757288451        6.3145489867       16.1281561712
  C         3.1257008367        5.9059733891       17.4941232918
  C         3.8077267919        4.7338991387       17.7510390079
  C         4.2190934830        3.8377188561       16.7444791542
  C         3.7138082723        4.1709682661       15.3460360028
  S         4.1623186255        2.8432881540       14.2839444475
  S         5.1017479233        2.4469171037       17.2805205963
  S         4.3658753469        4.5651894285       19.4183146110
  S         2.9974150077        7.0334843582       18.7977431637
  S         1.7370773639        7.6587691486       15.6800381699
  S         1.9907096350        5.5248528650       13.7168262120
  H         3.7245830755        3.4647861353       12.8955692318
  H         5.6881956775        2.3280573173       16.1578164203
  H         5.2365305120        3.6137547761       19.2055722029
  H         1.6122722115        7.0058488647       19.0584693303
  H         1.8699145365        8.2829570623       16.6933293314
  H         2.9439008835        5.7541579492       12.7154640348
      82
 i =     2663, time =     1331.500, E =     -4871.3243324403
 Ga         9.7922901904        2.3562643769       -0.1258235383
 Ga         9.3644945668        2.7705708819        2.9464265697
 Ga        10.0587647139        3.0242603064        6.3562708067
 Ga         9.4480220211        3.6054120456        8.9405418369
 Ga         8.9122578987        5.2049628158       -0.2358942315
 Ga         9.1126244313        5.4010044289        2.7387615242
 Ga         8.4697001282        6.2749745783        6.1109802275
 Ga         8.6934673400        6.4320230314        9.2407962161
 Ga         8.8915819321        8.2167058132        0.0149675386
 Ga         9.8229843607        8.5309035281        3.5856196582
 Ga         5.5591838286        9.3591003483        6.2969460097
 Ga         8.5297846621        9.0742493763        9.3621655047
 Ga         2.2603457729        1.5904759021        0.0405937871
 Ga         2.2807628165        1.2657804723        3.3918083032
 Ga         2.1151101986        0.0642946882        6.4744343733
 Ga         0.6147165835        8.2276696264        9.3277355311
 Ga         1.3362002475        4.1012845317        0.2148465461
 Ga         1.4563037349        3.9065211756        3.2109778698
 Ga         2.3263223785        2.7795953597        6.1071579050
 Ga         1.8048627091        0.0721347894        9.1909577482
 Ga         0.8733011819        6.6282800501        0.2019792190
 Ga         1.0788396838        6.6771979375        3.1472983511
 Ga         0.5628553904        5.5599474084        5.8506552092
 Ga         1.9135468974        2.7996080797        8.9356571727
 Ga         1.8515997809        8.9894815281        0.1743446502
 Ga         2.3059615889        9.1727020544        2.8207833137
 Ga         8.2464522620        8.9167311933        6.4900560428
 Ga         0.8072627074        5.4963659104        9.4466146322
 Ga         4.9343104944        1.5391389630       -0.0714847449
 Ga         5.1262742158        1.4006274245        3.2720465981
 Ga         4.7997648398        1.4054966705        6.2248991361
 Ga         4.3297278892        0.4486173067        9.6326777208
 Ga         3.9658111310        4.0851768160        0.1303802642
 Ga         3.9659559407        3.7565001167        2.9251758654
 Ga         5.0285549050        3.9747298311        6.3834255958
 Ga         4.6964854242        2.9315413011        9.0733242954
 Ga         3.6479057792        6.7567269282        0.1375231441
 Ga         3.5257169945        6.5164000974        3.3393145676
 Ga         2.9246965040        5.3857793043        6.7479361263
 Ga         3.4447507052        5.0596631005        9.4092629503
 Ga         4.4618613069        9.4063888436        0.0686456750
 Ga         5.1264408299        9.0876985369        2.9665941887
 Ga         0.4906781767        8.1579750100        6.2718939384
 Ga         3.4424103999        7.9060609776        9.3637090005
 Ga         7.6046502362        0.2347794904       -0.5516529173
 Ga         7.4921505603        0.1484122373        2.8523410981
 Ga         7.3600791281        1.1701470197        6.3025004800
 Ga         7.0835326298        1.0677423785        9.0968402396
 Ga         7.0401377631        2.8863783657        0.0759638552
 Ga         6.7907884164        3.3614580720        2.8937560031
 Ga         7.4953255830        3.9225233891        5.9386759309
 Ga         6.9114246889        3.9353071780        9.6485386807
 Ga         6.1098986830        5.5275300823        0.0025443641
 Ga         6.1494839963        5.8671110741        2.9703614099
 Ga         5.6899353037        6.6394879750        6.3537335130
 Ga         5.8940072976        6.2700651847        9.0614395921
 Ga         6.4705949483        8.0602810165       -0.2541470759
 Ga         7.4825203753        7.9255432658        2.6064900871
 Ga         3.2931188880        8.0434121529        6.4098108691
 Ga         5.9311097155        8.9353225171        9.3522115639
 Ga        10.2969527358        0.0792803959       -0.0223635556
 Ga        10.2254887258        0.4314369269        2.7349375346
 Ga         9.9324354597        0.5506168299        6.1073751018
 Ga         9.7131151466        1.1021715771        9.4154063709
  C         2.9885382978        5.3053084119       15.0209896719
  C         2.7629686638        6.2761147589       16.0324889439
  C         3.1070255507        5.8757683342       17.3944771016
  C         3.7854880666        4.7097539314       17.6509828245
  C         4.1919383575        3.8135342280       16.6482120338
  C         3.6938575293        4.1511798172       15.2574767252
  S         4.1365520027        2.8262652256       14.2021899239
  S         5.0716178189        2.4329980279       17.1835318025
  S         4.3394321964        4.5386028639       19.3080283538
  S         2.9806312780        6.9943349203       18.6905690401
  S         1.7267267262        7.6160678180       15.5929859188
  S         1.9813073673        5.4925485344       13.6389678420
  H         3.7028772402        3.4293279801       12.8414733495
  H         5.6577846929        2.3294484006       16.0657584793
  H         5.1995586590        3.5912237935       19.0909285477
  H         1.6124936491        6.9677005369       18.9308121883
  H         1.8675033857        8.2345823286       16.6084271701
  H         2.9100951405        5.7318682282       12.6482747033
      82
 i =     2664, time =     1332.000, E =     -4871.3208169268
 Ga         9.7446266248        2.3450965783       -0.1265535936
 Ga         9.3197874526        2.7595405800        2.9304414805
 Ga        10.0098635315        3.0112778128        6.3255083475
 Ga         9.4006190237        3.5883874610        8.8974800331
 Ga         8.8696232170        5.1802438402       -0.2340189887
 Ga         9.0700020412        5.3748520648        2.7259251080
 Ga         8.4278756574        6.2446366813        6.0824109017
 Ga         8.6532884710        6.4001918058        9.1962518453
 Ga         8.8471621602        8.1754440744        0.0153826315
 Ga         9.7749910249        8.4909582498        3.5686825767
 Ga         5.5319879003        9.3131922611        6.2681547369
 Ga         8.4879439747        9.0281980671        9.3163630255
 Ga         2.2484895486        1.5833075340        0.0380079506
 Ga         2.2687939762        1.2585899837        3.3751768279
 Ga         2.1056255406        0.0633098439        6.4425387588
 Ga         0.6123959467        8.1884571155        9.2814648844
 Ga         1.3280781609        4.0806217916        0.2123894695
 Ga         1.4505513603        3.8893159117        3.1958311923
 Ga         2.3154764424        2.7659661629        6.0774691630
 Ga         1.7982252722        0.0713850962        9.1450804020
 Ga         0.8697046175        6.5951279743        0.2017316118
 Ga         1.0730696765        6.6455949481        3.1320253346
 Ga         0.5607046134        5.5338167653        5.8229859107
 Ga         1.9048831150        2.7860636823        8.8920021014
 Ga         1.8432825944        8.9460151524        0.1739111433
 Ga         2.2927427181        9.1285305792        2.8048825957
 Ga         8.2063352680        8.8750878787        6.4561915086
 Ga         0.8028584006        5.4698436819        9.4005937863
 Ga         4.9105246810        1.5329387128       -0.0704963151
 Ga         5.1005761911        1.3947772564        3.2558770791
 Ga         4.7768874820        1.3974714345        6.1952893545
 Ga         4.3074198668        0.4462832928        9.5856422966
 Ga         3.9469170712        4.0649186918        0.1311523160
 Ga         3.9461915016        3.7378591650        2.9111211374
 Ga         5.0047215277        3.9555155859        6.3511059210
 Ga         4.6736204061        2.9180724572        9.0290533761
 Ga         3.6296590642        6.7237332271        0.1375239488
 Ga         3.5095692583        6.4838775323        3.3233012656
 Ga         2.9116181026        5.3592821846        6.7142595861
 Ga         3.4283419392        5.0336404720        9.3643291289
 Ga         4.4403125845        9.3617683337        0.0675154678
 Ga         5.1040710599        9.0435196797        2.9521127458
 Ga         0.4882478006        8.1186144501        6.2407685337
 Ga         3.4258319438        7.8673015824        9.3200262164
 Ga         7.5676782803        0.2330175543       -0.5483439459
 Ga         7.4575746777        0.1477339336        2.8391024957
 Ga         7.3262011882        1.1638435595        6.2721266005
 Ga         7.0486846310        1.0635689020        9.0504457217
 Ga         7.0052642445        2.8703036168        0.0739900357
 Ga         6.7578507193        3.3458310427        2.8799234942
 Ga         7.4576934724        3.9029539807        5.9116222790
 Ga         6.8768338830        3.9160837589        9.6001627830
 Ga         6.0804465262        5.5005855267        0.0026567087
 Ga         6.1205186933        5.8378040518        2.9568443834
 Ga         5.6604642954        6.6078263950        6.3233258589
 Ga         5.8646085741        6.2400591965        9.0150019131
 Ga         6.4402517759        8.0214509594       -0.2518639498
 Ga         7.4455850194        7.8869829569        2.5922869967
 Ga         3.2766345020        8.0040273478        6.3777897855
 Ga         5.9009109150        8.8935553592        9.3059892771
 Ga        10.2479762684        0.0777137652       -0.0210958678
 Ga        10.1766809972        0.4309305688        2.7208923317
 Ga         9.8835020364        0.5474255345        6.0779797273
 Ga         9.6667665747        1.0956377521        9.3678585023
  C         2.9768234304        5.2755852746       14.9497040490
  C         2.7524710791        6.2425050805       15.9503077971
  C         3.0907016249        5.8507595019       17.3086091776
  C         3.7666284722        4.6893018354       17.5654529721
  C         4.1678471300        3.7928849571       16.5652770702
  C         3.6773732420        4.1342896439       15.1820314204
  S         4.1140894493        2.8116551791       14.1318433213
  S         5.0455854082        2.4210307230       17.1007636012
  S         4.3164668752        4.5158190215       19.2136840154
  S         2.9662044756        6.9610344657       18.5988315743
  S         1.7177455542        7.5794286824       15.5183711737
  S         1.9735314639        5.4647430707       13.5721432537
  H         3.6860043140        3.3940917381       12.8045202672
  H         5.6356526487        2.3313181335       15.9812399703
  H         5.1691765795        3.5687204661       18.9909599335
  H         1.6159903179        6.9351111825       18.8179258769
  H         1.8686376124        8.2000816703       16.5497976909
  H         2.8777865920        5.7141576393       12.5924499227
      82
 i =     2665, time =     1332.500, E =     -4871.3187488836
 Ga         9.7087640273        2.3368533980       -0.1274233309
 Ga         9.2863883410        2.7518582359        2.9180318663
 Ga         9.9731080667        3.0019775210        6.3024141750
 Ga         9.3646306637        3.5757263506        8.8652273880
 Ga         8.8377437548        5.1618058724       -0.2324292698
 Ga         9.0383785843        5.3552345420        2.7163956153
 Ga         8.3962797372        6.2219023239        6.0612168855
 Ga         8.6235907920        6.3761276837        9.1628582590
 Ga         8.8135351378        8.1440869826        0.0158155271
 Ga         9.7388530199        8.4612996352        3.5560745387
 Ga         5.5115208780        9.2785793304        6.2469614016
 Ga         8.4564073637        8.9931164743        9.2818694285
 Ga         2.2393634247        1.5780504222        0.0354778075
 Ga         2.2595906956        1.2529482979        3.3626471990
 Ga         2.0986978474        0.0624058419        6.4184603910
 Ga         0.6108271838        8.1591665428        9.2464596069
 Ga         1.3215701012        4.0649213762        0.2102021105
 Ga         1.4465313576        3.8768194788        3.1845574801
 Ga         2.3074227065        2.7556853060        6.0551429214
 Ga         1.7937478396        0.0707384408        9.1103170425
 Ga         0.8671459205        6.5699842892        0.2017274575
 Ga         1.0685833675        6.6220411786        3.1205426195
 Ga         0.5592207000        5.5143775062        5.8023788349
 Ga         1.8985065183        2.7758871107        8.8591590151
 Ga         1.8372159106        8.9134072065        0.1736646422
 Ga         2.2823366334        9.0954208240        2.7924247038
 Ga         8.1761750564        8.8441927850        6.4301690466
 Ga         0.7994507130        5.4499639975        9.3659739952
 Ga         4.8926751636        1.5285703953       -0.0695944226
 Ga         5.0810607862        1.3905959599        3.2436562642
 Ga         4.7597755918        1.3911487098        6.1731975424
 Ga         4.2903421784        0.4444920766        9.5502346375
 Ga         3.9328009508        4.0495762273        0.1320712416
 Ga         3.9312235126        3.7237674291        2.9005949329
 Ga         4.9869521243        3.9410947915        6.3264947387
 Ga         4.6564336315        2.9081113528        8.9957474921
 Ga         3.6158093904        6.6989066230        0.1376944677
 Ga         3.4977151973        6.4592376559        3.3113235165
 Ga         2.9020644204        5.3393035220        6.6887191933
 Ga         3.4160807389        5.0137779555        9.3307758290
 Ga         4.4241373136        9.3285295662        0.0664742601
 Ga         5.0878527357        9.0103176464        2.9412259169
 Ga         0.4864084622        8.0891218805        6.2172338364
 Ga         3.4133939080        7.8380875059        9.2876496198
 Ga         7.5398724121        0.2315436056       -0.5456925701
 Ga         7.4320405082        0.1472562319        2.8292985885
 Ga         7.3012068414        1.1589693655        6.2493578866
 Ga         7.0223752435        1.0606988870        9.0150558316
 Ga         6.9789264565        2.8577466528        0.0721150847
 Ga         6.7331258774        3.3342547398        2.8696009222
 Ga         7.4291347019        3.8880965347        5.8917230091
 Ga         6.8506207082        3.9016091342        9.5634307655
 Ga         6.0583964493        5.4802987149        0.0027621444
 Ga         6.0989622627        5.8155744906        2.9469189467
 Ga         5.6378828898        6.5841759386        6.3005775841
 Ga         5.8423294995        6.2176464524        8.9795377597
 Ga         6.4177192843        7.9923427810       -0.2498908930
 Ga         7.4177042474        7.8579988427        2.5812381100
 Ga         3.2641196568        7.9743652377        6.3535165720
 Ga         5.8778885883        8.8625502712        9.2710679109
 Ga        10.2114428212        0.0761963723       -0.0198661430
 Ga        10.1402127869        0.4309337745        2.7101520478
 Ga         9.8465932011        0.5448776748        6.0559498136
 Ga         9.6321672945        1.0904265325        9.3316926557
  C         2.9686166088        5.2525277328       14.8965571260
  C         2.7452570478        6.2162348583       15.8878856136
  C         3.0779493840        5.8331760634       17.2432487294
  C         3.7526151864        4.6743206900       17.5012729175
  C         4.1484807790        3.7772774858       16.5021438763
  C         3.6658163350        4.1217785032       15.1256202536
  S         4.0965614878        2.8005370315       14.0784207096
  S         5.0256362151        2.4119407454       17.0388475279
  S         4.2986731168        4.4986047336       19.1427701798
  S         2.9553148579        6.9362967021       18.5297752589
  S         1.7108062490        7.5518365018       15.4622615848
  S         1.9680923670        5.4435643306       13.5216445404
  H         3.6751856136        3.3609258214       12.7886975582
  H         5.6239200764        2.3344230721       15.9107384561
  H         5.1476700054        3.5474382525       18.9131176200
  H         1.6221918207        6.9108212712       18.7275938931
  H         1.8737692158        8.1815280310       16.5219631524
  H         2.8491589928        5.7033561687       12.5519813015
      82
 i =     2666, time =     1333.000, E =     -4871.3184937684
 Ga         9.6860649759        2.3318686464       -0.1284655346
 Ga         9.2656106428        2.7479346745        2.9095909567
 Ga         9.9498999895        2.9967990559        6.2878744978
 Ga         9.3413584310        3.5679364160        8.8450348754
 Ga         8.8178683849        5.1503803718       -0.2311514238
 Ga         9.0190411209        5.3429065672        2.7105593557
 Ga         8.3760855614        6.2076485092        6.0482612081
 Ga         8.6056068270        6.3607208941        9.1419070189
 Ga         8.7919304300        8.1237647935        0.0162731209
 Ga         9.7159361542        8.4431325208        3.5483009742
 Ga         5.4985558121        9.2565614086        6.2342615423
 Ga         8.4363597344        8.9702485435        9.2599871386
 Ga         2.2332737814        1.5749313962        0.0329845287
 Ga         2.2534618335        1.2490220257        3.3546913845
 Ga         2.0946303219        0.0615845872        6.4030965494
 Ga         0.6101029994        8.1409523383        9.2240101195
 Ga         1.3168458485        4.0547472672        0.2082994907
 Ga         1.4444588233        3.8695953549        3.1776093157
 Ga         2.3024899702        2.7491387955        6.0410295164
 Ga         1.7917033337        0.0702010403        9.0879368215
 Ga         0.8657525498        6.5537638419        0.2020022815
 Ga         1.0655254756        6.6074756623        3.1132889282
 Ga         0.5584874486        5.5024131556        5.7896570181
 Ga         1.8946890102        2.7694690124        8.8383715758
 Ga         1.8336650806        8.8929128197        0.1736322266
 Ga         2.2750447020        9.0746542138        2.7837807341
 Ga         8.1571200731        8.8253050857        6.4128692456
 Ga         0.7971481153        5.4374949917        9.3440709589
 Ga         4.8814503561        1.5262603856       -0.0687823601
 Ga         5.0684342550        1.3882873822        3.2358373103
 Ga         4.7491017322        1.3867123054        6.1594977779
 Ga         4.2790851368        0.4433050325        9.5277958314
 Ga         3.9240192822        4.0397143055        0.1331696421
 Ga         3.9216005296        3.7147450570        2.8940067709
 Ga         4.9759533686        3.9320221275        6.3104675836
 Ga         4.6455791960        2.9020732663        8.9746695435
 Ga         3.6068597517        6.6831873442        0.1380610419
 Ga         3.4906582826        6.4433800027        3.3038493684
 Ga         2.8964550066        5.3265912449        6.6722464076
 Ga         3.4084500807        5.0007684829        9.3099243456
 Ga         4.4139581876        9.3079960535        0.0655225619
 Ga         5.0785244761        8.9893586903        2.9343471635
 Ga         0.4852280019        8.0706379809        6.2021575108
 Ga         3.4055771644        7.8195166363        9.2679031146
 Ga         7.5222918508        0.2303841155       -0.5437699322
 Ga         7.4166117973        0.1470014885        2.8233331528
 Ga         7.2861421607        1.1556815635        6.2350746379
 Ga         7.0055870209        1.0592918870        8.9919165356
 Ga         6.9621000136        2.8490893170        0.0703319948
 Ga         6.7175616037        3.3272043131        2.8631943248
 Ga         7.4106823218        3.8784910813        5.8798249320
 Ga         6.8337389489        3.8924306576        9.5396723259
 Ga         6.0446035012        5.4674386304        0.0028615543
 Ga         6.0856804751        5.8012315993        2.9410089632
 Ga         5.6229652961        6.5694680373        6.2863776575
 Ga         5.8279840554        6.2037064996        8.9562861031
 Ga         6.4039095084        7.9740827091       -0.2482532980
 Ga         7.3999162285        7.8396949395        2.5736903993
 Ga         3.2560277584        7.9555439530        6.3378751810
 Ga         5.8628553781        8.8435697205        9.2487433623
 Ga        10.1887986090        0.0747248779       -0.0186666545
 Ga        10.1175182543        0.4315231946        2.7030899308
 Ga         9.8230876297        0.5430443124        6.0421387838
 Ga         9.6106809679        1.0866782675        9.3082028501
  C         2.9643327342        5.2368897713       14.8635986920
  C         2.7417175505        6.1982059419       15.8474455062
  C         3.0692057151        5.8238530739       17.2008009675
  C         3.7439662399        4.6654808278       17.4608997810
  C         4.1343926485        3.7672330968       16.4611305085
  C         3.6597581466        4.1141707608       15.0903646628
  S         4.0845319115        2.7932723687       14.0439107921
  S         5.0124823440        2.4060511275       17.0001598895
  S         4.2866425078        4.4875810475       19.0979851320
  S         2.9484088686        6.9211165553       18.4860024187
  S         1.7061509427        7.5344163790       15.4269258690
  S         1.9652481503        5.4297587950       13.4893844449
  H         3.6706537944        3.3305978918       12.7950327902
  H         5.6230845965        2.3392525199       15.8572241964
  H         5.1356592828        3.5278961844       18.8600542411
  H         1.6302830314        6.8958730190       18.6624996454
  H         1.8829038189        8.1784220378       16.5246680078
  H         2.8253408521        5.7006054953       12.5278116506
      82
 i =     2667, time =     1333.500, E =     -4871.3206907812
 Ga         9.6790863444        2.3307579105       -0.1297121573
 Ga         9.2598988012        2.7484888818        2.9058904374
 Ga         9.9428664375        2.9965291373        6.2835486217
 Ga         9.3332724859        3.5659583497        8.8392375115
 Ga         8.8123234893        5.1473259582       -0.2302489306
 Ga         9.0143669235        5.3392792464        2.7091307274
 Ga         8.3695059816        6.2035141767        6.0451379407
 Ga         8.6016033829        6.3556521063        9.1358110211
 Ga         8.7846738038        8.1166250060        0.0167583749
 Ga         9.7088060107        8.4386830318        3.5462980744
 Ga         5.4945448747        9.2495836561        6.2316962504
 Ga         8.4300295055        8.9619668081        9.2531622934
 Ga         2.2308127578        1.5743645558        0.0305428224
 Ga         2.2510044382        1.2471439835        3.3521960322
 Ga         2.0939740774        0.0608638196        6.3981384609
 Ga         0.6103827802        8.1359621975        9.2165541206
 Ga         1.3142575062        4.0511716692        0.2067396383
 Ga         1.4447109856        3.8686617312        3.1758248853
 Ga         2.3012850873        2.7470527628        6.0367236579
 Ga         1.7925594486        0.0697923970        9.0803424262
 Ga         0.8657510373        6.5481999970        0.2026075811
 Ga         1.0641789065        6.6036408873        3.1110862371
 Ga         0.5586505475        5.4993743011        5.7863471447
 Ga         1.8939285296        2.7675404850        8.8319741838
 Ga         1.8331126150        8.8868793315        0.1738578697
 Ga         2.2714727432        9.0686250365        2.7796908189
 Ga         8.1513239179        8.8207502524        6.4059910294
 Ga         0.7961628071        5.4338718938        9.3373523727
 Ga         4.8781378054        1.5264077790       -0.0680797110
 Ga         5.0640369531        1.3882149652        3.2332751413
 Ga         4.7461184358        1.3845315237        6.1558146824
 Ga         4.2747817006        0.4428399965        9.5208427033
 Ga         3.9216072055        4.0364006407        0.1344795387
 Ga         3.9183597527        3.7117741116        2.8921205257
 Ga         4.9730373724        3.9293352896        6.3046932905
 Ga         4.6422836885        2.9007219126        8.9681895444
 Ga         3.6037638043        6.6783404126        0.1386587086
 Ga         3.4893187032        6.4380079261        3.3017508803
 Ga         2.8955522202        5.3225528215        6.6666054050
 Ga         3.4063487456        4.9959373816        9.3042318373
 Ga         4.4109401757        9.3026233866        0.0646788349
 Ga         5.0774198090        8.9830163380        2.9322517455
 Ga         0.4848345757        8.0652933900        6.1971785981
 Ga         3.4032803842        7.8136540077        9.2632291626
 Ga         7.5169227272        0.2296014666       -0.5427217387
 Ga         7.4132430862        0.1470090925        2.8219501428
 Ga         7.2829270236        1.1542868782        6.2309220017
 Ga         7.0001707755        1.0596250088        8.9834075495
 Ga         6.9566253352        2.8450888299        0.0686622397
 Ga         6.7129317471        3.3255560394        2.8614591576
 Ga         7.4042964508        3.8751621788        5.8774769014
 Ga         6.8279956279        3.8895764166        9.5314101111
 Ga         6.0406635131        5.4634488938        0.0029550156
 Ga         6.0822776184        5.7963088961        2.9398889028
 Ga         5.6172001846        6.5654357554        6.2823838275
 Ga         5.8231131338        6.1998766330        8.9476179659
 Ga         6.4005095698        7.9687750235       -0.2470196728
 Ga         7.3941769983        7.8341410723        2.5703266723
 Ga         3.2532193999        7.9496647867        6.3325407446
 Ga         5.8573626240        8.8389452416        9.2414596544
 Ga        10.1827311753        0.0733209807       -0.0175058110
 Ga        10.1112665514        0.4328091678        2.7004213226
 Ga         9.8155812859        0.5420703387        6.0381408953
 Ga         9.6048437122        1.0846819724        9.2998509472
  C         2.9647236257        5.2301029530       14.8546934465
  C         2.7425430277        6.1901239774       15.8332028838
  C         3.0653137230        5.8242818546       17.1858212498
  C         3.7416564358        4.6640124833       17.4489308924
  C         4.1267001483        3.7637525349       16.4466194487
  C         3.6601839798        4.1124829134       15.0802460501
  S         4.0791012044        2.7905737855       14.0320675119
  S         5.0074759373        2.4039881103       16.9891438611
  S         4.2815260321        4.4839197440       19.0843763720
  S         2.9462958023        6.9173268821       18.4723978980
  S         1.7042457222        7.5292208184       15.4165360176
  S         1.9654821824        5.4247547211       13.4789487528
  H         3.6729118441        3.3047287385       12.8253180152
  H         5.6339368143        2.3464817419       15.8262526910
  H         5.1341327527        3.5114869823       18.8369162933
  H         1.6395293356        6.8921436895       18.6278575051
  H         1.8960322358        8.1909045513       16.5588560591
  H         2.8079596873        5.7076329334       12.5224184599
      82
 i =     2668, time =     1334.000, E =     -4871.3247985652
 Ga         9.6876413428        2.3334762007       -0.1311622178
 Ga         9.2690747916        2.7534682254        2.9068728882
 Ga         9.9518159797        3.0011101189        6.2893153674
 Ga         9.3401926821        3.5697234702        8.8476656582
 Ga         8.8209394129        5.1525439156       -0.2297173056
 Ga         9.0241831911        5.3442502303        2.7120578622
 Ga         8.3763793060        6.2093800665        6.0517311970
 Ga         8.6114153356        6.3607986966        9.1443945185
 Ga         8.7915963907        8.1225103331        0.0172711261
 Ga         9.7172753343        8.4477899135        3.5499980454
 Ga         5.4993822043        9.2574680367        6.2391459588
 Ga         8.4372541212        8.9680973014        9.2612167232
 Ga         2.2319373898        1.5763196021        0.0281513637
 Ga         2.2521746065        1.2472900590        3.3550968487
 Ga         2.0966889080        0.0602419133        6.4034624818
 Ga         0.6116548938        8.1440400738        9.2239135303
 Ga         1.3137796056        4.0541161585        0.2055176608
 Ga         1.4472599879        3.8739457670        3.1791434143
 Ga         2.3037639063        2.7493742191        6.0421089996
 Ga         1.7962825904        0.0695109440        9.0873583754
 Ga         0.8671247893        6.5531668684        0.2035399136
 Ga         1.0645234558        6.6104100934        3.1138746950
 Ga         0.5596993172        5.5051555576        5.7923381355
 Ga         1.8961884002        2.7700482565        8.8397967583
 Ga         1.8355235076        8.8951354949        0.1743378967
 Ga         2.2715762903        9.0771583983        2.7801000026
 Ga         8.1586295907        8.8303587554        6.4094101770
 Ga         0.7964797319        5.4389901124        9.3456385216
 Ga         4.8826429576        1.5289831758       -0.0674846341
 Ga         5.0677714353        1.3903517579        3.2359072386
 Ga         4.7507345169        1.3845795272        6.1620298841
 Ga         4.2773492352        0.4430887401        9.5291920483
 Ga         3.9254893019        4.0395575875        0.1359995022
 Ga         3.9214258171        3.7147831745        2.8948806383
 Ga         4.9781084875        3.9329584430        6.3090496734
 Ga         4.6464576624        2.9040014397        8.9761346388
 Ga         3.6064519672        6.6842372422        0.1394853186
 Ga         3.4936301538        6.4429971699        3.3049646615
 Ga         2.8993012072        5.3270857447        6.6716677776
 Ga         3.4097109709        4.9991888712        9.3135198413
 Ga         4.4149985071        9.3122332374        0.0639408853
 Ga         5.0844413216        8.9911178602        2.9348833392
 Ga         0.4852187359        8.0729332558        6.2021773270
 Ga         3.4064380238        7.8203487116        9.2734498439
 Ga         7.5236204848        0.2291909526       -0.5425374903
 Ga         7.4217932636        0.1472766311        2.8250955681
 Ga         7.2914225020        1.1547627850        6.2367797828
 Ga         7.0059917750        1.0616780041        8.9893549793
 Ga         6.9623686090        2.8456891915        0.0671029280
 Ga         6.7191073221        3.3292457570        2.8643403918
 Ga         7.4098344030        3.8780346721        5.8845674354
 Ga         6.8332588585        3.8929717673        9.5384598968
 Ga         6.0464604496        5.4682242450        0.0030424445
 Ga         6.0886369935        5.8006943332        2.9435025386
 Ga         5.6204780770        6.5719529696        6.2884748052
 Ga         5.8276045104        6.2060380060        8.9533604075
 Ga         6.4073958516        7.9762663314       -0.2461847562
 Ga         7.4003445650        7.8411861493        2.5710963766
 Ga         3.2556317345        7.9565746158        6.3373907199
 Ga         5.8612969164        8.8485080656        9.2490384777
 Ga        10.1930448526        0.0719825347       -0.0163830817
 Ga        10.1212632430        0.4347843000        2.7020936640
 Ga         9.8238855280        0.5419456651        6.0438398639
 Ga         9.6144714589        1.0844157145        9.3064566370
  C         2.9697169705        5.2320884828       14.8695101388
  C         2.7476539140        6.1919246594       15.8448646339
  C         3.0662537149        5.8343028166       17.1979967606
  C         3.7455932639        4.6698434324       17.4650115410
  C         4.1253425061        3.7667600346       16.4583322860
  C         3.6670312655        4.1165976476       15.0949618555
  S         4.0802106724        2.7923575190       14.0426818053
  S         5.0105461287        2.4057019182       17.0054200820
  S         4.2832602179        4.4875117845       19.1015720179
  S         2.9489451918        6.9247969573       18.4886033919
  S         1.7050750157        7.5361584952       15.4308907412
  S         1.9687358618        5.4284395150       13.4901005240
  H         3.6812495951        3.2841512233       12.8773160597
  H         5.6555228468        2.3561763955       15.8191162056
  H         5.1423772260        3.4988620610       18.8435412639
  H         1.6489415033        6.8995589141       18.6234857998
  H         1.9126474504        8.2169828939       16.6210911239
  H         2.7976100053        5.7245503488       12.5349349143
      82
 i =     2669, time =     1334.500, E =     -4871.3300360014
 Ga         9.7117077728        2.3400152480       -0.1328134433
 Ga         9.2931151590        2.7628605142        2.9125336869
 Ga         9.9767254035        3.0105300887        6.3051599615
 Ga         9.3621003207        3.5792219641        8.8702978031
 Ga         8.8436938765        5.1660212189       -0.2295573061
 Ga         9.0484656270        5.3578067770        2.7193337816
 Ga         8.3966870543        6.2252308503        6.0680247622
 Ga         8.6350181656        6.3761470880        9.1676354654
 Ga         8.8126792423        8.1414045123        0.0178104102
 Ga         9.7413219496        8.4704311491        3.5593916296
 Ga         5.5130551263        9.2801942108        6.2565923523
 Ga         8.4580144030        8.9886222898        9.2841290762
 Ga         2.2366445452        1.5807917766        0.0258151720
 Ga         2.2569683864        1.2494592810        3.3633862400
 Ga         2.1027678081        0.0597198503        6.4190544284
 Ga         0.6139161633        8.1651659969        9.2460682038
 Ga         1.3154129319        4.0635725085        0.2046355787
 Ga         1.4520999185        3.8854358622        3.1875566389
 Ga         2.3099202433        2.7560970339        6.0571717256
 Ga         1.8028647570        0.0693569791        9.1089651050
 Ga         0.8698708108        6.5686514355        0.2047976783
 Ga         1.0665586958        6.6277663878        3.1216471820
 Ga         0.5616314741        5.5197428906        5.8076150588
 Ga         1.9014630948        2.7769858707        8.8618186472
 Ga         1.8408918309        8.9176596886        0.1750713157
 Ga         2.2753536586        9.1002322873        2.7850048751
 Ga         8.1790182695        8.8541065939        6.4231164327
 Ga         0.7980980401        5.4528363468        9.3689077785
 Ga         4.8949537786        1.5339805088       -0.0669978830
 Ga         5.0796280927        1.3946924649        3.2437263991
 Ga         4.7629387082        1.3868557935        6.1781275266
 Ga         4.2867806044        0.4440507987        9.5528218188
 Ga         3.9356556547        4.0491771331        0.1377273725
 Ga         3.9307904010        3.7237642327        2.9022800212
 Ga         4.9911539100        3.9428820812        6.3235245987
 Ga         4.6580902238        2.9119039835        8.9984838463
 Ga         3.6149169374        6.7008624514        0.1405393928
 Ga         3.5035818845        6.4583342657        3.3134824150
 Ga         2.9076934559        5.3401779024        6.6874201711
 Ga         3.4185280309        5.0105139018        9.3377643664
 Ga         4.4261231139        9.3368012463        0.0633096490
 Ga         5.0995723293        9.0136426420        2.9422349909
 Ga         0.4863793533        8.0935380477        6.2171399736
 Ga         3.4150420374        7.8395829138        9.2985392458
 Ga         7.5423681843        0.2291531451       -0.5432171265
 Ga         7.4422422189        0.1478034462        2.8327618335
 Ga         7.3116080416        1.1571074037        6.2526327874
 Ga         7.0230350694        1.0654456787        9.0097416486
 Ga         6.9793145356        2.8508867010        0.0656562857
 Ga         6.7360723928        3.3382640062        2.8718305207
 Ga         7.4272811922        3.8871009376        5.9010803765
 Ga         6.8495139248        3.9026082800        9.5608020509
 Ga         6.0619791864        5.4817524021        0.0031239582
 Ga         6.1047430809        5.8143759480        2.9518408314
 Ga         5.6327885093        6.5890032522        6.3046350149
 Ga         5.8414461616        6.2221750261        8.9734970856
 Ga         6.4245505757        7.9965375353       -0.2457495043
 Ga         7.4184028426        7.8608115766        2.5759961536
 Ga         3.2632584962        7.9762553390        6.3524118272
 Ga         5.8746469686        8.8722353884        9.2714593629
 Ga        10.2197134371        0.0707128934       -0.0153005191
 Ga        10.1474827650        0.4374447743        2.7081018238
 Ga         9.8479787167        0.5426712378        6.0592211872
 Ga         9.6395399956        1.0858791458        9.3280007612
  C         2.9792949692        5.2428437151       14.9079778151
  C         2.7570108645        6.2036501150       15.8824013719
  C         3.0720710620        5.8538334644       17.2373232844
  C         3.7557403942        4.6829880962       17.5090757382
  C         4.1303455669        3.7762391801       16.4962842010
  C         3.6802711656        4.1264951237       15.1344529191
  S         4.0878821203        2.7985858702       14.0758070553
  S         5.0217072873        2.4111911663       17.0488924715
  S         4.2918614049        4.4983205037       19.1495149715
  S         2.9563678042        6.9435044822       18.5345695377
  S         1.7086550192        7.5552491562       15.4700322997
  S         1.9749929106        5.4407969214       13.5228302240
  H         3.6948094482        3.2700231005       12.9484068865
  H         5.6868875690        2.3684313915       15.8374590794
  H         5.1596135061        3.4909459186       18.8801412452
  H         1.6578468429        6.9181556661       18.6495082990
  H         1.9323044094        8.2550995359       16.7086539039
  H         2.7946911812        5.7514678038       12.5649988073
      82
 i =     2670, time =     1335.000, E =     -4871.3340388530
 Ga         9.7475808908        2.3494846610       -0.1346243059
 Ga         9.3284808445        2.7756277630        2.9217500007
 Ga        10.0137896098        3.0236519631        6.3286787678
 Ga         9.3954151465        3.5930919798        8.9037538740
 Ga         8.8772179657        5.1857915612       -0.2296759594
 Ga         9.0837745879        5.3779063842        2.7299250961
 Ga         8.4272221766        6.2486937389        6.0917122307
 Ga         8.6691317493        6.3992619087        9.2020396517
 Ga         8.8445538146        8.1701930333        0.0183728884
 Ga         9.7772288377        8.5033867846        3.5731244586
 Ga         5.5334603095        9.3142202995        6.2816614031
 Ga         8.4890818102        9.0201001583        9.3183559857
 Ga         2.2440756520        1.5871818024        0.0235087625
 Ga         2.2645188326        1.2531685633        3.3757804288
 Ga         2.1114136051        0.0592701308        6.4424632690
 Ga         0.6169368409        8.1962314260        9.2794848240
 Ga         1.3186454068        4.0779861360        0.2040058672
 Ga         1.4586853559        3.9016630824        3.1998517893
 Ga         2.3188756498        2.7661689699        6.0796016681
 Ga         1.8116328045        0.0693015512        9.1416798546
 Ga         0.8736616573        6.5921426472        0.2063082842
 Ga         1.0698747493        6.6531875642        3.1332131191
 Ga         0.5642366463        5.5410371237        5.8299682966
 Ga         1.9090312643        2.7872942588        8.8946587682
 Ga         1.8485203809        8.9510520128        0.1759938308
 Ga         2.2819239269        9.1343784356        2.7933281877
 Ga         8.2093706207        8.8886278972        6.4446445592
 Ga         0.8007109024        5.4733321980        9.4035858211
 Ga         4.9132037354        1.5408226697       -0.0665890521
 Ga         5.0976648273        1.4007107952        3.2554933571
 Ga         4.7809173459        1.3908238653        6.2017555967
 Ga         4.3014327930        0.4455560185        9.5880864232
 Ga         3.9506073928        4.0637122898        0.1396210439
 Ga         3.9449509196        3.7372948062        2.9132126544
 Ga         5.0102740137        3.9576028115        6.3456977690
 Ga         4.6754047613        2.9233238154        9.0318039609
 Ga         3.6277762321        6.7256595999        0.1417722484
 Ga         3.5178448095        6.4815507160        3.3260417317
 Ga         2.9196280980        5.3597905481        6.7113060862
 Ga         3.4314978852        5.0279931234        9.3734090487
 Ga         4.4426270062        9.3727741535        0.0627553808
 Ga         5.1208844284        9.0471535851        2.9531842335
 Ga         0.4881304596        8.1240234401        6.2396910697
 Ga         3.4277906401        7.8683641778        9.3349626264
 Ga         7.5702893234        0.2293964157       -0.5445484902
 Ga         7.4717648915        0.1485338268        2.8438727382
 Ga         7.3407079499        1.1608753055        6.2760979046
 Ga         7.0486194282        1.0705282952        9.0411165086
 Ga         7.0047976083        2.8595799034        0.0642858397
 Ga         6.7612586502        3.3513418980        2.8828360242
 Ga         7.4537966214        3.9008748145        5.9247781579
 Ga         6.8741419176        3.9169973658        9.5947792264
 Ga         6.0849095928        5.5019419379        0.0031994630
 Ga         6.1282740561        5.8351305225        2.9637839164
 Ga         5.6519704089        6.6140777225        6.3284630533
 Ga         5.8624052119        6.2459184232        9.0045901922
 Ga         6.4495304958        8.0265411470       -0.2456121881
 Ga         7.4455192975        7.8900189008        2.5840329551
 Ga         3.2748522195        8.0056632186        6.3751756184
 Ga         5.8951630348        8.9067550482        9.3051807508
 Ga        10.2588466469        0.0694769306       -0.0142442890
 Ga        10.1860605253        0.4406345177        2.7174075290
 Ga         9.8841015237        0.5440372041        6.0819759173
 Ga         9.6763794161        1.0886497756        9.3609127488
  C         2.9923392278        5.2603401532       14.9643994045
  C         2.7695524115        6.2229481628       15.9397347489
  C         3.0816368589        5.8806080634       17.2972384826
  C         3.7706402151        4.7017073268       17.5744188065
  C         4.1401270047        3.7907387644       16.5542152058
  C         3.6984951293        4.1406167510       15.1929298026
  S         4.1005702399        2.8081527377       14.1261590389
  S         5.0390528336        2.4195421959       17.1130135944
  S         4.3057000939        4.5145992866       19.2208831796
  S         2.9674422809        6.9708016029       18.6032138707
  S         1.7143485020        7.5836341106       15.5281247388
  S         1.9835137754        5.4597404165       13.5719876726
  H         3.7112089748        3.2622158170       13.0310410639
  H         5.7251057878        2.3824983737       15.8766058672
  H         5.1830984851        3.4872587222       18.9396831918
  H         1.6653951996        6.9453566520       18.6987421074
  H         1.9540430329        8.3010954062       16.8135181058
  H         2.7981356533        5.7863193252       12.6078343783
      82
 i =     2671, time =     1335.500, E =     -4871.3358668945
 Ga         9.7942790586        2.3616508223       -0.1365908273
 Ga         9.3742389513        2.7915079918        2.9342149169
 Ga        10.0620010060        3.0401838286        6.3592363531
 Ga         9.4391815063        3.6109756064        8.9471413072
 Ga         8.9206227740        5.2113374571       -0.2300440964
 Ga         9.1292085102        5.4040089640        2.7435612976
 Ga         8.4671318107        6.2791418195        6.1221893343
 Ga         8.7128980194        6.4294955276        9.2466835480
 Ga         8.8863222714        8.2080435572        0.0189605204
 Ga         9.8240104030        8.5458126489        3.5908403581
 Ga         5.5600404510        9.3586064570        6.3137344244
 Ga         8.5295993036        9.0616089709        9.3629570816
 Ga         2.2539989036        1.5953339067        0.0212128113
 Ga         2.2745914655        1.2582848020        3.3919385948
 Ga         2.1224190247        0.0588816601        6.4730378047
 Ga         0.6206596757        8.2364177158        9.3232221271
 Ga         1.3233330164        4.0969416697        0.2035978458
 Ga         1.4668785536        3.9222488264        3.2157099825
 Ga         2.3303993529        2.7793104384        6.1087871146
 Ga         1.8224201533        0.0693350973        9.1845734151
 Ga         0.8784140547        6.6229708792        0.2080570636
 Ga         1.0743604642        6.6860101424        3.1482571291
 Ga         0.5674621902        5.5684871245        5.8588171243
 Ga         1.9187049474        2.8006928828        8.9374209832
 Ga         1.8582286218        8.9944132220        0.1770904134
 Ga         2.2910433966        9.1786805085        2.8047727674
 Ga         8.2488608514        8.9330403022        6.4733292432
 Ga         0.8042352600        5.4999283811        9.4487251894
 Ga         4.9368987806        1.5493631508       -0.0662461205
 Ga         5.1213635565        1.4082718231        3.2708781977
 Ga         4.8041923289        1.3963356956        6.2322947834
 Ga         4.3208642717        0.4475586527        9.6340184815
 Ga         3.9699492497        4.0827511581        0.1416777929
 Ga         3.9635066739        3.7549965035        2.9273862885
 Ga         5.0349689849        3.9767228339        6.3749215912
 Ga         4.6979309106        2.9379719302        9.0751849418
 Ga         3.6446606146        6.7579512259        0.1431750011
 Ga         3.5360729091        6.5119887316        3.3423093518
 Ga         2.9348201602        5.3853822634        6.7426436245
 Ga         3.4482771064        5.0511117851        9.4195160597
 Ga         4.4640643196        9.4192173739        0.0622658456
 Ga         5.1478803079        9.0907412089        2.9674336106
 Ga         0.4904224220        8.1635748755        6.2691982761
 Ga         3.4443395555        7.9058981976        9.3817933539
 Ga         7.6066222326        0.2298931178       -0.5464710914
 Ga         7.5096240051        0.1494536107        2.8581466354
 Ga         7.3779975596        1.1659453094        6.3065454690
 Ga         7.0820326391        1.0768254088        9.0825538154
 Ga         7.0381093011        2.8714658635        0.0629728614
 Ga         6.7939867337        3.3681468920        2.8970688991
 Ga         7.4886227413        3.9189597612        5.9550786424
 Ga         6.9064442716        3.9357447479        9.6394139931
 Ga         6.1146415820        5.5282383798        0.0032698740
 Ga         6.1586203288        5.8623647187        2.9790400173
 Ga         5.6774413536        6.6465153648        6.3593256903
 Ga         5.8898863499        6.2766440940        9.0457173167
 Ga         6.4816944929        8.0654720947       -0.2457392074
 Ga         7.4809413762        7.9280139095        2.5949354138
 Ga         3.2900803478        8.0439910895        6.4050346237
 Ga         5.9222420772        8.9511833040        9.3492603834
 Ga        10.3094205398        0.0682585435       -0.0132041461
 Ga        10.2359776362        0.4443207764        2.7297314629
 Ga         9.9312559777        0.5459855454        6.1114943058
 Ga         9.7240233914        1.0926090619        9.4042366647
  C         3.0085744625        5.2840083369       15.0372687553
  C         2.7849912992        6.2491949660       16.0152361149
  C         3.0946857531        5.9140033492       17.3760124248
  C         3.7898884299        4.7255794167       17.6592428886
  C         4.1542596235        3.8098689428       16.6304914390
  C         3.7213185370        4.1585744835       15.2688480312
  S         4.1178772280        2.8207373081       14.1924056626
  S         5.0620785260        2.4305206664       17.1960223787
  S         4.3243466269        4.5358644075       19.3137210004
  S         2.9818648316        7.0059860458       18.6926488625
  S         1.7219967097        7.6205612427       15.6036550467
  S         1.9941232748        5.4847111623       13.6362066848
  H         3.7290125711        3.2615563363       13.1212024041
  H         5.7689536358        2.3982753681       15.9361018635
  H         5.2115817270        3.4882487207       19.0204023543
  H         1.6715682548        6.9805247648       18.7691882992
  H         1.9775328220        8.3534368574       16.9328866029
  H         2.8074015510        5.8285572925       12.6624900020
      82
 i =     2672, time =     1336.000, E =     -4871.3346748001
 Ga         9.8481664809        2.3756231751       -0.1386475544
 Ga         9.4268964733        2.8094355285        2.9488543488
 Ga        10.1176207585        3.0589722868        6.3944697131
 Ga         9.4899085655        3.6315240353        8.9971292952
 Ga         8.9705857601        5.2407162471       -0.2305834412
 Ga         9.1813567271        5.4341035943        2.7592182103
 Ga         8.5132769682        6.3142370696        6.1571690665
 Ga         8.7630566372        6.4644657382        9.2981273625
 Ga         8.9346892184        8.2519230911        0.0195610287
 Ga         9.8780198391        8.5945176789        3.6111989867
 Ga         5.5907301873        9.4098809762        6.3504455467
 Ga         8.5764010440        9.1098023564        9.4144551538
 Ga         2.2655868183        1.6046499810        0.0189463428
 Ga         2.2863495401        1.2643500755        3.4106008260
 Ga         2.1349851839        0.0585396741        6.5083780229
 Ga         0.6248450897        8.2826572895        9.3738252536
 Ga         1.3290029289        4.1189241044        0.2033510881
 Ga         1.4761222448        3.9457168061        3.2339310774
 Ga         2.3436213567        2.7944906366        6.1424598437
 Ga         1.8345278864        0.0694346985        9.2342438793
 Ga         0.8837963523        6.6586853715        0.2099591363
 Ga         1.0796253143        6.7237412826        3.1656099751
 Ga         0.5710921824        5.6000161322        5.8919762445
 Ga         1.9297666519        2.8161413286        8.9867842413
 Ga         1.8693167854        9.0443977213        0.1782935974
 Ga         2.3018805783        9.2297248891        2.8183167393
 Ga         8.2944248244        8.9840071661        6.5067908967
 Ga         0.8083757849        5.5305781906        9.5008160472
 Ga         4.9642041353        1.5590144514       -0.0659511821
 Ga         5.1488316172        1.4168434528        3.2886684170
 Ga         4.8309768604        1.4028859558        6.2674216134
 Ga         4.3434840725        0.4498940375        9.6870395616
 Ga         3.9922024308        4.1047832861        0.1438311700
 Ga         3.9849889924        3.7754770032        2.9437112731
 Ga         5.0633618707        3.9987636997        6.4088425786
 Ga         4.7239228374        2.9547514564        9.1252552153
 Ga         3.6642221529        6.7952271310        0.1446867040
 Ga         3.5569364674        6.5472369947        3.3610400216
 Ga         2.9521672902        5.4149536575        6.7789384849
 Ga         3.4675815402        5.0780038170        9.4725724430
 Ga         4.4887766413        9.4726152245        0.0618265264
 Ga         5.1786227172        9.1410279571        2.9838795144
 Ga         0.4930735521        8.2091538238        6.3033372806
 Ga         3.4634087545        7.9492511399        9.4355235442
 Ga         7.6485426513        0.2305643345       -0.5487887160
 Ga         7.5530093465        0.1505041855        2.8745154247
 Ga         7.4207137624        1.1718892053        6.3416298389
 Ga         7.1206497805        1.0839232554        9.1307005856
 Ga         7.0766381441        2.8854965449        0.0617113319
 Ga         6.8317298564        3.3874199679        2.9134482447
 Ga         7.5289882740        3.9399083481        5.9897506176
 Ga         6.9438621669        3.9573899104        9.6911408737
 Ga         6.1488972092        5.5585902606        0.0033343504
 Ga         6.1934852946        5.8939096321        2.9964905492
 Ga         5.7071096751        6.6838401875        6.3948564941
 Ga         5.9217090765        6.3120121796        9.0935415589
 Ga         6.5186218167        8.1103308322       -0.2460493694
 Ga         7.5218935826        7.9718502597        2.6077560547
 Ga         3.3077272877        8.0882522990        6.4396181378
 Ga         5.9536973719        9.0021783749        9.4002312938
 Ga        10.3675911865        0.0670517303       -0.0121863638
 Ga        10.2934206735        0.4483215072        2.7440672160
 Ga         9.9857561982        0.5483224043        6.1455034693
 Ga         9.7788466848        1.0973655325        9.4544956851
  C         3.0268817136        5.3118651001       15.1209942760
  C         2.8022481794        6.2801283858       16.1029466749
  C         3.1101457644        5.9516979928       17.4672835722
  C         3.8120314378        4.7528795398       17.7569512384
  C         4.1712954625        3.8321895604       16.7190288944
  C         3.7472430623        4.1789046131       15.3564646644
  S         4.1383285510        2.8352780993       14.2693830206
  S         5.0889232110        2.4432477998       17.2914858482
  S         4.3462319866        4.5604128395       19.4208219217
  S         2.9985089458        7.0464216715       18.7959127108
  S         1.7309839597        7.6631928360       15.6908486316
  S         2.0060945221        5.5136885622       13.7104341877
  H         3.7458827642        3.2680945850       13.2112624858
  H         5.8154589371        2.4149201042       16.0112394226
  H         5.2424205432        3.4936110555       19.1155313890
  H         1.6762875360        7.0210936922       18.8540892078
  H         2.0017132764        8.4083396799       17.0590808925
  H         2.8210374348        5.8756853303       12.7249543665
      82
 i =     2673, time =     1336.500, E =     -4871.3302751788
 Ga         9.9049864358        2.3903806108       -0.1407475139
 Ga         9.4823882160        2.8282214402        2.9643765232
 Ga        10.1762770853        3.0787137216        6.4316177361
 Ga         9.5434814683        3.6531734590        9.0498350124
 Ga         9.0232369966        5.2716694340       -0.2311858866
 Ga         9.2362695716        5.4658437670        2.7757093096
 Ga         8.5619723499        6.3512541640        6.1940031784
 Ga         8.8158410523        6.5013740463        9.3523565630
 Ga         8.9857835153        8.2982515988        0.0201713006
 Ga         9.9349863715        8.6458039984        3.6326447528
 Ga         5.6231132534        9.4639739970        6.3890697281
 Ga         8.6257773776        9.1607243658        9.4687785595
 Ga         2.2778519172        1.6144421182        0.0166771626
 Ga         2.2987960737        1.2708083825        3.4302918748
 Ga         2.1481970386        0.0582117426        6.5456676395
 Ga         0.6292300456        8.3313794457        9.4272334125
 Ga         1.3350645953        4.1421467450        0.2031636377
 Ga         1.4857910042        3.9703812294        3.2531219455
 Ga         2.3575323801        2.8105002229        6.1779656157
 Ga         1.8471852757        0.0695669105        9.2866884670
 Ga         0.8894328706        6.6963999076        0.2119322426
 Ga         1.0851973550        6.7634838462        3.1839034365
 Ga         0.5748855251        5.6332129962        5.9269079858
 Ga         1.9413881194        2.8324224876        9.0388641147
 Ga         1.8809850166        9.0970996558        0.1795299384
 Ga         2.3134212426        9.2835273032        2.8327204553
 Ga         8.3424788716        9.0376634694        6.5421941298
 Ga         0.8127798230        5.5628940326        9.5557513765
 Ga         4.9929752425        1.5691148020       -0.0656683828
 Ga         5.1778367576        1.4258218420        3.3074397484
 Ga         4.8591871280        1.4098570167        6.3044346924
 Ga         4.3674029440        0.4523664012        9.7429603725
 Ga         4.0156450052        4.1280304441        0.1460344588
 Ga         4.0076708176        3.7971018231        2.9609167998
 Ga         5.0932708540        4.0219981403        6.4446788954
 Ga         4.7513395894        2.9723924787        9.1780702430
 Ga         3.6848715477        6.8345502260        0.1462523232
 Ga         3.5789101473        6.5844587634        3.3807834674
 Ga         2.9704060598        5.4461622185        6.8172519875
 Ga         3.4879153949        5.1064630457        9.5284928534
 Ga         4.5148256992        9.5288867860        0.0614027124
 Ga         5.2108990982        9.1940650874        3.0012323255
 Ga         0.4958701021        8.2572174038        6.3393784193
 Ga         3.4835024270        7.9949846943        9.4920942427
 Ga         7.6927454065        0.2313041354       -0.5512561554
 Ga         7.5986773886        0.1516218104        2.8917432525
 Ga         7.4656696511        1.1781947564        6.3786135165
 Ga         7.1613896018        1.0913640213        9.1815891644
 Ga         7.1173215496        2.9004044140        0.0604577852
 Ga         6.8715375657        3.4077041018        2.9307182888
 Ga         7.5716290482        3.9620121340        6.0262248164
 Ga         6.9833860369        3.9802224680        9.7457556893
 Ga         6.1850230112        5.5905943368        0.0033930040
 Ga         6.2302023260        5.9272097497        3.0148499672
 Ga         5.7384906085        6.7231704246        6.4322972258
 Ga         5.9553069855        6.3493016663        9.1441111043
 Ga         6.5575070988        8.1576163974       -0.2464240601
 Ga         7.5651211238        8.0180831190        2.6213523982
 Ga         3.3263593900        8.1349498093        6.4761353338
 Ga         5.9869427541        9.0558672867        9.4540234241
 Ga        10.4288907672        0.0658138383       -0.0111733612
 Ga        10.3539504441        0.4524590903        2.7592209407
 Ga        10.0432827368        0.5508055959        6.1813510054
 Ga         9.8366343667        1.1024325272        9.5075852713
  C         3.0459940516        5.3415564750       15.2090637746
  C         2.8201140986        6.3130077298       16.1958720988
  C         3.1267117375        5.9911069493       17.5635033931
  C         3.8354011425        4.7816104036       17.8598401763
  C         4.1894042786        3.8560411630       16.8126257483
  C         3.7746343228        4.1998489693       15.4491339446
  S         4.1601300093        2.8505308465       14.3509673333
  S         5.1173776091        2.4566792154       17.3919084788
  S         4.3694681660        4.5862504324       19.5337698837
  S         3.0160557808        7.0890645630       18.9048635316
  S         1.7405730649        7.7082148157       15.7829574048
  S         2.0186018821        5.5442818616       13.7887317453
  H         3.7595721579        3.2809200914       13.2943487432
  H         5.8617389375        2.4315137501       16.0957432492
  H         5.2728271598        3.5023698404       19.2168560944
  H         1.6795745065        7.0640911509       18.9451001752
  H         2.0257336043        8.4619143444       17.1844327354
  H         2.8372055496        5.9250642382       12.7904474892
      82
 i =     2674, time =     1337.000, E =     -4871.3222469878
 Ga         9.9612547058        2.4050674801       -0.1428277195
 Ga         9.5373659757        2.8468445372        2.9797518395
 Ga        10.2343862508        3.0983018199        6.4684157709
 Ga         9.5965543355        3.6746307570        9.1020653035
 Ga         9.0753919980        5.3023349750       -0.2317764091
 Ga         9.2906779739        5.4973015156        2.7920527746
 Ga         8.6102093433        6.3879514022        6.2304996535
 Ga         8.8681263620        6.5379371913        9.4060740554
 Ga         9.0364448428        8.3441227837        0.0207795219
 Ga         9.9914147567        8.6966130978        3.6538929183
 Ga         5.6552095648        9.5175579983        6.4273394755
 Ga         8.6746938077        9.2111676655        9.5225942750
 Ga         2.2900010868        1.6241372566        0.0144234011
 Ga         2.3111288773        1.2772202618        3.4498038947
 Ga         2.1612887072        0.0578837229        6.5826064088
 Ga         0.6335845601        8.3796440195        9.4801351918
 Ga         1.3410646328        4.1651572993        0.2029774971
 Ga         1.4953512776        3.9948267535        3.2721322101
 Ga         2.3712988665        2.8263513801        6.2131306914
 Ga         1.8597228937        0.0697093600        9.3386462399
 Ga         0.8950060467        6.7337652146        0.2138949566
 Ga         1.0907027083        6.8028485925        3.2020169557
 Ga         0.5786355891        5.6660875061        5.9615176838
 Ga         1.9528822756        2.8485394191        9.0904767498
 Ga         1.8925620860        9.1493121598        0.1807355405
 Ga         2.3248676582        9.3368162262        2.8470038878
 Ga         8.3900860169        9.0908115959        6.5772579330
 Ga         0.8171636847        5.5949139351        9.6101671433
 Ga         5.0214542136        1.5791018716       -0.0653806574
 Ga         5.2065651023        1.4346976023        3.3260301055
 Ga         4.8871111504        1.4167644546        6.3411068736
 Ga         4.3910958243        0.4548178335        9.7983510757
 Ga         4.0388597802        4.1510452865        0.1482238624
 Ga         4.0301442203        3.8185360926        2.9779584167
 Ga         5.1228970402        4.0450092164        6.4801750789
 Ga         4.7785075993        2.9898444355        9.2303981199
 Ga         3.7053170415        6.8735142481        0.1478131617
 Ga         3.6007181260        6.6213425011        3.4003459158
 Ga         2.9884798802        5.4770911238        6.8551936476
 Ga         3.5080481029        5.1346993826        9.5839092122
 Ga         4.5406221823        9.5846612218        0.0609806620
 Ga         5.2428537665        9.2466149612        3.0184338111
 Ga         0.4986379976        8.3048526117        6.3750934291
 Ga         3.5033940997        8.0402869438        9.5481431016
 Ga         7.7365237756        0.2320368717       -0.5536855763
 Ga         7.6439342480        0.1527495920        2.9088065433
 Ga         7.5102165592        1.1844511855        6.4152484552
 Ga         7.2017365079        1.0987506377        9.2320051733
 Ga         7.1576554927        2.9151843701        0.0592068204
 Ga         6.9109875211        3.4277927923        2.9478424926
 Ga         7.6138882693        3.9838844649        6.0623622574
 Ga         7.0225624935        4.0028425074        9.7998414327
 Ga         6.2208348592        5.6222847576        0.0034453117
 Ga         6.2665703655        5.9601864355        3.0330458935
 Ga         5.7695791285        6.7621329513        6.4693800997
 Ga         5.9885899865        6.3862690747        9.1942269810
 Ga         6.5960301868        8.2044539689       -0.2467854946
 Ga         7.6079630756        8.0638882960        2.6348164566
 Ga         3.3448117827        8.1812206357        6.5123137613
 Ga         6.0198820688        9.1090471515        9.5073134048
 Ga        10.4896345876        0.0645403854       -0.0101707970
 Ga        10.4139119292        0.4565591937        2.7742280594
 Ga        10.1003016736        0.5532497349        6.2168586075
 Ga         9.8939108550        1.1074355033        9.5601727639
  C         3.0648489679        5.3711653456       15.2961390582
  C         2.8375663694        6.3456483555       16.2882807287
  C         3.1433479602        6.0300126149       17.6585856170
  C         3.8586024432        4.8101179472       17.9615910427
  C         4.2072044984        3.8800315814       16.9054490237
  C         3.8020321768        4.2200433236       15.5413329692
  S         4.1818399511        2.8655135003       14.4321274286
  S         5.1456477641        2.4699753528       17.4911432385
  S         4.3925426237        4.6117544931       19.6456551886
  S         3.0334130618        7.1313836690       19.0128235372
  S         1.7501699744        7.7528953951       15.8744271797
  S         2.0309585615        5.5745589759       13.8662508824
  H         3.7687684874        3.2989573941       13.3658287813
  H         5.9052088925        2.4472552268       16.1845782231
  H         5.3005355924        3.5139271327       19.3178179750
  H         1.6818203496        7.1070422851       19.0357360470
  H         2.0486663995        8.5109302112       17.3022268708
  H         2.8542676556        5.9741612946       12.8553867298
      82
 i =     2675, time =     1337.500, E =     -4871.3127030861
 Ga        10.0140096463        2.4189815618       -0.1448648606
 Ga         9.5890095474        2.8644968805        2.9940708310
 Ga        10.2889088516        3.1168450407        6.5029447505
 Ga         9.6462561917        3.6948130506        9.1511249828
 Ga         9.1243647781        5.3311468589       -0.2322740173
 Ga         9.3418486428        5.5268473388        2.8074270638
 Ga         8.6554210421        6.4224373699        6.2648256921
 Ga         8.9173078564        6.5722056058        9.4564905644
 Ga         9.0839769808        8.3870366809        0.0213873770
 Ga        10.0443335984        8.7443849142        3.6738655742
 Ga         5.6853393270        9.5678002286        6.4633738561
 Ga         8.7205687313        9.2583684124        9.5730691090
 Ga         2.3013416205        1.6332606119        0.0121453969
 Ga         2.3226489335        1.2831930351        3.4681107876
 Ga         2.1736298236        0.0575281244        6.6172331262
 Ga         0.6377312512        8.4249736734        9.5297006873
 Ga         1.3465803916        4.1867089244        0.2027114440
 Ga         1.5043760068        4.0178945405        3.2899961248
 Ga         2.3842210927        2.8412017809        6.2461088342
 Ga         1.8716199534        0.0698369544        9.3873265510
 Ga         0.9002582943        6.7687683249        0.2157957382
 Ga         1.0958082713        6.8398266462        3.2189986828
 Ga         0.5821782628        5.6969684309        5.9940468175
 Ga         1.9636761932        2.8636453524        9.1389217260
 Ga         1.9034981078        9.1983215954        0.1818608659
 Ga         2.3355016076        9.3868236746        2.8602915750
 Ga         8.4347546681        9.1407760053        6.6099936700
 Ga         0.8212805491        5.6249797890        9.6612069348
 Ga         5.0481496207        1.5885230838       -0.0650578984
 Ga         5.2334587929        1.4430560986        3.3434470760
 Ga         4.9133013579        1.4231705857        6.3755648260
 Ga         4.4132399826        0.4571113434        9.8502970224
 Ga         4.0606515197        4.1725874128        0.1503772600
 Ga         4.0512053788        3.8386417452        2.9939536910
 Ga         5.1507275228        4.0665962167        6.5133876317
 Ga         4.8040083164        3.0062278038        9.2794960067
 Ga         3.7244491703        6.9100768542        0.1493366270
 Ga         3.6213099859        6.6559109314        3.4187206359
 Ga         3.0055187741        5.5061105457        6.8907129994
 Ga         3.5269411441        5.1611725575        9.6359885503
 Ga         4.5648186335        9.6371111113        0.0605307983
 Ga         5.2729649308        9.2959327708        3.0345876083
 Ga         0.5012280583        8.3496000285        6.4085808980
 Ga         3.5220437838        8.0827648698        9.6008617325
 Ga         7.7775788482        0.2326846079       -0.5559005129
 Ga         7.6865389528        0.1538451452        2.9248498156
 Ga         7.5521530326        1.1902989139        6.4496334404
 Ga         7.2395443256        1.1057731798        9.2791752796
 Ga         7.1955087850        2.9289419605        0.0579167052
 Ga         6.9480301624        3.4466776126        2.9639507482
 Ga         7.6534896092        4.0043319538        6.0963893839
 Ga         7.0592940506        4.0240602522        9.8504636824
 Ga         6.2544917286        5.6519889890        0.0034917043
 Ga         6.3007413297        5.9910564836        3.0501913664
 Ga         5.7986352730        6.7987285152        6.5041900194
 Ga         6.0197684822        6.4210281172        9.2411265321
 Ga         6.6322485995        8.2484114343       -0.2470433648
 Ga         7.6481541175        8.1068709639        2.6473432822
 Ga         3.3620839005        8.2246322419        6.5462074418
 Ga         6.0507082200        9.1590360592        9.5572659559
 Ga        10.5467255156        0.0631893815       -0.0091583744
 Ga        10.4702249320        0.4605097050        2.7882528749
 Ga        10.1538077795        0.5554814160        6.2501835580
 Ga         9.9477542009        1.1120267863        9.6093915408
  C         3.0825840137        5.3990374939       15.3777063712
  C         2.8537721613        6.3761130592       16.3752994807
  C         3.1591481725        6.0666427818       17.7472550767
  C         3.8804794490        4.8370297792       18.0568390165
  C         4.2233868666        3.9030200262       16.9924817029
  C         3.8283215069        4.2382601774       15.6284595776
  S         4.2021707886        2.8793820278       14.5085329923
  S         5.1721866056        2.4824085318       17.5839799361
  S         4.4141258123        4.6355355401       19.7506234691
  S         3.0496532252        7.1712733742       19.1141262757
  S         1.7592626740        7.7949298970       15.9605753017
  S         2.0426053132        5.6028504222       13.9388504357
  H         3.7726237560        3.3206771378       13.4231487332
  H         5.9439755600        2.4615166179       16.2732643450
  H         5.3236473030        3.5274919596       19.4126367562
  H         1.6833424689        7.1479066154       19.1200981040
  H         2.0699998872        8.5527595103       17.4073598833
  H         2.8707804892        6.0211328957       12.9166274810
