           70
 Energy:   -459.0128927641770    
     C             4.13127             2.04365             0.24220
     C             2.72152             1.66445             0.42819
     C             1.86478             2.86901             0.34933
     C             2.78173             3.98528             0.06360
     C             4.13936             3.48140            -0.00753
     C             5.78527             0.70439             3.17888
     C             4.89453             0.45453             2.02247
     C             5.18828             1.44270             0.98960
     C             6.25133             2.30427             1.49597
     C             6.61994             1.85765             2.84958
     C             1.65940             0.48262             3.70735
     C             1.26109             0.92194             2.37547
     C             2.41952             0.73208             1.46188
     C             3.50540             0.16862             2.24948
     C             3.04602             0.05591             3.62921
     C            -0.05841             4.24502             3.15406
     C             0.39476             4.42145             1.75617
     C             0.79918             3.08211             1.28696
     C             0.45394             2.09464             2.31554
     C            -0.06301             2.80125             3.49715
     C             3.04828             6.89601             2.18925
     C             3.53632             6.16548             1.01429
     C             2.45515             5.29269             0.54756
     C             1.23755             5.52335             1.37420
     C             1.64629             6.46513             2.45815
     C             6.69230             4.65624             2.21740
     C             6.31185             3.71062             1.17977
     C             5.18969             4.31888             0.44867
     C             4.87531             5.65965             0.95503
     C             5.81036             5.85288             2.08070
     C             4.29026             2.99332             7.03625
     C             2.90557             3.49798             7.11094
     C             2.92756             4.93406             6.76120
     C             4.31490             5.30613             6.45220
     C             5.18211             4.11225             6.65676
     C             3.91401             0.20644             4.75482
     C             3.43612             0.85954             5.97599
     C             4.55447             1.68667             6.49877
     C             5.72588             1.45256             5.58961
     C             5.30675             0.52704             4.50972
     C             0.30899             2.34704             4.82214
     C             0.70633             3.29736             5.88615
     C             1.82469             2.70502             6.62986
     C             2.10143             1.34401             6.04534
     C             1.20806             1.18868             4.87518
     C             1.26425             6.21960             3.81811
     C             2.13242             6.47272             4.94969
     C             1.81030             5.53400             6.06702
     C             0.70986             4.69924             5.55349
     C             0.37137             5.11396             4.19912
     C             5.32320             6.54249             3.22881
     C             5.72396             6.08319             4.56802
     C             4.54943             6.27301             5.45155
     C             3.46748             6.86751             4.67617
     C             3.93181             7.01512             3.28944
     C             6.99425             2.77353             3.84704
     C             6.54811             2.56795             5.22097
     C             6.27829             3.90803             5.77491
     C             6.57361             4.92334             4.71704
     C             7.01550             4.19431             3.52312
     C            12.99088             3.50000             2.83052
     C            12.99088             3.50000             4.21148
     C            14.18373             3.50000             2.07479
     H            14.14772             3.50000             0.98434
     C            15.35883             3.50000             2.81770
     H            16.31845             3.50000             2.29236
     C            15.35883             3.50000             4.22430
     H            16.31845             3.50000             4.74964
     C            14.18373             3.50000             4.96721
     H            14.14772             3.50000             6.05766
           70
 Energy:   -459.5769158197720    
     C             4.11780             2.04724             0.21859
     C             2.71130             1.66864             0.45165
     C             1.87842             2.87099             0.36637
     C             2.74129             3.99834             0.04575
     C             4.12662             3.49487            -0.03097
     C             5.77147             0.70080             3.17319
     C             4.87454             0.47144             2.03181
     C             5.19037             1.46359             0.98598
     C             6.26870             2.32324             1.49083
     C             6.60936             1.84619             2.82899
     C             1.65848             0.50094             3.72021
     C             1.26429             0.93615             2.37957
     C             2.40737             0.72382             1.47023
     C             3.50956             0.15845             2.26239
     C             3.03117             0.02229             3.64446
     C            -0.05589             4.23510             3.17175
     C             0.43893             4.40731             1.77683
     C             0.76703             3.08082             1.24811
     C             0.45194             2.10147             2.27955
     C            -0.04961             2.80738             3.47856
     C             3.04461             6.85880             2.21181
     C             3.53568             6.14721             1.01652
     C             2.43227             5.29184             0.54850
     C             1.26561             5.52901             1.41658
     C             1.66126             6.46770             2.46669
     C             6.65693             4.67839             2.24121
     C             6.28468             3.71762             1.18181
     C             5.19037             4.31652             0.40968
     C             4.90080             5.64734             0.96894
     C             5.81184             5.86085             2.09665
     C             4.28661             2.97077             7.02731
     C             2.90433             3.48800             7.08677
     C             2.91546             4.92057             6.76771
     C             4.31183             5.29371             6.48224
     C             5.14665             4.10990             6.64348
     C             3.89858             0.18714             4.74650
     C             3.45585             0.88212             5.95640
     C             4.56138             1.67657             6.46545
     C             5.71459             1.48821             5.58663
     C             5.31580             0.54382             4.52926
     C             0.31595             2.33713             4.78924
     C             0.70969             3.28096             5.86027
     C             1.81759             2.66650             6.63034
     C             2.11173             1.37789             6.03288
     C             1.20646             1.16389             4.89635
     C             1.25753             6.22446             3.82513
     C             2.15262             6.48841             4.96252
     C             1.84671             5.52910             6.01804
     C             0.70954             4.68688             5.57629
     C             0.38073             5.12769             4.19045
     C             5.33864             6.54460             3.24655
     C             5.70879             6.06277             4.57117
     C             4.58253             6.26408             5.45945
     C             3.49405             6.85181             4.67855
     C             3.95491             7.02788             3.30741
     C             7.00504             2.76901             3.83754
     C             6.55340             2.60067             5.22652
     C             6.27802             3.93350             5.77401
     C             6.54826             4.92471             4.73031
     C             7.01955             4.20291             3.54298
     C            12.62751             3.50000             2.83105
     C            12.62751             3.50000             4.21095
     C            13.83749             3.50000             2.09834
     H            13.85659             3.50000             1.00926
     C            15.01921             3.50000             2.82918
     H            15.97131             3.50000             2.30019
     C            15.01921             3.50000             4.21282
     H            15.97131             3.50000             4.74181
     C            13.83749             3.50000             4.94366
     H            13.85659             3.50000             6.03274
           70
 Energy:   -459.6753821535657    
     C             4.09782             2.06182             0.21311
     C             2.70370             1.66911             0.48592
     C             1.87216             2.87304             0.38211
     C             2.72496             4.00266             0.02434
     C             4.09839             3.51314            -0.07034
     C             5.75359             0.70876             3.16602
     C             4.84944             0.49829             2.02534
     C             5.16682             1.48593             0.97722
     C             6.27115             2.32614             1.48051
     C             6.63703             1.84437             2.82524
     C             1.65773             0.50253             3.72929
     C             1.27235             0.95169             2.39286
     C             2.39731             0.70353             1.49738
     C             3.49032             0.12831             2.29067
     C             3.02706            -0.02472             3.65707
     C            -0.02550             4.22462             3.16969
     C             0.46818             4.40536             1.80839
     C             0.73574             3.08681             1.21300
     C             0.44078             2.09093             2.25701
     C            -0.02793             2.78200             3.45290
     C             3.09085             6.83307             2.23256
     C             3.55059             6.11199             1.03590
     C             2.42549             5.30573             0.54266
     C             1.29063             5.49669             1.45954
     C             1.68510             6.45681             2.49422
     C             6.63923             4.67971             2.24991
     C             6.26356             3.73038             1.21065
     C             5.19546             4.32629             0.38909
     C             4.88849             5.64322             0.97284
     C             5.80391             5.87093             2.09572
     C             4.28244             2.98305             6.99368
     C             2.89217             3.46653             7.07377
     C             2.91058             4.90926             6.76099
     C             4.28660             5.30207             6.50319
     C             5.13665             4.10404             6.63535
     C             3.92281             0.17761             4.75856
     C             3.44747             0.89467             5.94059
     C             4.56782             1.69971             6.46198
     C             5.71231             1.51680             5.55386
     C             5.31202             0.55555             4.51625
     C             0.34766             2.33551             4.75745
     C             0.70959             3.27176             5.83461
     C             1.80299             2.67387             6.61198
     C             2.12196             1.37228             6.00948
     C             1.19233             1.15292             4.91067
     C             1.24551             6.26710             3.83590
     C             2.16015             6.48693             4.94485
     C             1.86850             5.49774             6.00126
     C             0.74052             4.67883             5.54445
     C             0.36144             5.14458             4.20063
     C             5.34511             6.55276             3.25356
     C             5.72480             6.05551             4.57748
     C             4.59377             6.24376             5.48676
     C             3.51526             6.85492             4.70523
     C             3.97553             7.04959             3.32099
     C             7.01332             2.77394             3.84610
     C             6.55312             2.61463             5.23645
     C             6.25442             3.94172             5.78338
     C             6.54081             4.91414             4.73600
     C             7.01796             4.21904             3.54371
     C            12.37231             3.50000             2.83296
     C            12.37231             3.50000             4.20904
     C            13.58694             3.50000             2.10879
     H            13.57313             3.50000             1.02039
     C            14.78183             3.50000             2.82314
     H            15.72794             3.50000             2.28608
     C            14.78183             3.50000             4.21886
     H            15.72794             3.50000             4.75592
     C            13.58694             3.50000             4.93321
     H            13.57313             3.50000             6.02161
           70
 Energy:   -459.5906089280763    
     C             4.07968             2.08973             0.22174
     C             2.69950             1.68291             0.52159
     C             1.84381             2.87638             0.37402
     C             2.70684             4.01060             0.00287
     C             4.10383             3.52404            -0.10615
     C             5.75657             0.74306             3.14466
     C             4.81845             0.52291             2.02785
     C             5.13676             1.50791             0.98853
     C             6.25682             2.32258             1.47864
     C             6.65611             1.84553             2.82469
     C             1.65808             0.46494             3.74446
     C             1.27982             0.94108             2.41496
     C             2.40913             0.70333             1.51410
     C             3.48527             0.09038             2.28430
     C             3.02049            -0.06064             3.69465
     C             0.01527             4.20837             3.18514
     C             0.46937             4.39586             1.80542
     C             0.71235             3.08050             1.22524
     C             0.41902             2.07087             2.22977
     C            -0.00864             2.77731             3.44910
     C             3.11730             6.81511             2.25528
     C             3.54639             6.10090             1.06145
     C             2.44323             5.29919             0.55267
     C             1.32800             5.48687             1.48128
     C             1.73611             6.43772             2.51659
     C             6.63174             4.68224             2.25445
     C             6.24698             3.72132             1.20963
     C             5.17457             4.32675             0.40023
     C             4.88877             5.64387             0.95849
     C             5.79152             5.87175             2.09022
     C             4.25959             2.99766             6.97431
     C             2.88669             3.47231             7.06428
     C             2.89992             4.89113             6.76566
     C             4.29285             5.29815             6.51707
     C             5.12704             4.13264             6.64736
     C             3.92770             0.16458             4.76208
     C             3.46454             0.89359             5.94270
     C             4.55920             1.71279             6.43348
     C             5.70006             1.51584             5.53649
     C             5.30858             0.57082             4.48581
     C             0.36004             2.33174             4.74660
     C             0.71779             3.28198             5.79637
     C             1.80549             2.67638             6.58071
     C             2.09829             1.35961             6.01324
     C             1.19071             1.14461             4.88347
     C             1.21584             6.30605             3.85090
     C             2.17727             6.47263             4.96074
     C             1.86547             5.47914             5.97482
     C             0.76524             4.66016             5.49265
     C             0.34363             5.16425             4.18955
     C             5.36896             6.56537             3.26846
     C             5.73708             6.07288             4.59797
     C             4.59078             6.25139             5.49376
     C             3.51716             6.87696             4.72681
     C             3.99725             7.06514             3.35876
     C             7.02566             2.78838             3.84892
     C             6.55699             2.61325             5.22515
     C             6.24669             3.92877             5.77364
     C             6.55748             4.92026             4.73685
     C             7.01285             4.20818             3.54551
     C            12.13668             3.50000             2.83320
     C            12.13668             3.50000             4.20880
     C            13.34752             3.50000             2.09803
     H            13.30427             3.50000             1.01004
     C            14.53932             3.50000             2.82335
     H            15.48479             3.50000             2.28710
     C            14.53932             3.50000             4.21865
     H            15.48479             3.50000             4.75490
     C            13.34752             3.50000             4.94397
     H            13.30427             3.50000             6.03196
           70
 Energy:   -459.5605385746110    
     C             4.07048             2.10174             0.24086
     C             2.69021             1.72124             0.53292
     C             1.83191             2.88348             0.35189
     C             2.69896             4.01261            -0.02648
     C             4.08168             3.52135            -0.11018
     C             5.74948             0.74914             3.14394
     C             4.82356             0.53762             2.04784
     C             5.11487             1.52498             1.01651
     C             6.24655             2.33528             1.48080
     C             6.64530             1.86505             2.79486
     C             1.64547             0.40906             3.74059
     C             1.27067             0.90685             2.41323
     C             2.40947             0.72414             1.52514
     C             3.49484             0.06734             2.30100
     C             3.02319            -0.09774             3.66510
     C             0.03011             4.21432             3.16943
     C             0.46897             4.39600             1.79546
     C             0.71413             3.05777             1.21711
     C             0.41253             2.04119             2.26481
     C            -0.00836             2.77945             3.45191
     C             3.13006             6.80916             2.29100
     C             3.56970             6.12310             1.06191
     C             2.46233             5.28504             0.58731
     C             1.33723             5.48114             1.49435
     C             1.74470             6.41786             2.54415
     C             6.62344             4.67123             2.24105
     C             6.23738             3.72267             1.19290
     C             5.15585             4.31483             0.41213
     C             4.90272             5.65470             0.96266
     C             5.79535             5.87306             2.10837
     C             4.26761             2.99040             6.97396
     C             2.87691             3.47879             7.05072
     C             2.89676             4.92308             6.76249
     C             4.28050             5.32652             6.51586
     C             5.14605             4.11993             6.65534
     C             3.91789             0.15320             4.75775
     C             3.43942             0.87319             5.95100
     C             4.54758             1.72866             6.40035
     C             5.69910             1.51081             5.52618
     C             5.29617             0.57903             4.47924
     C             0.34378             2.31096             4.73979
     C             0.74957             3.26599             5.76102
     C             1.81396             2.67116             6.56099
     C             2.09979             1.33672             6.02300
     C             1.19954             1.13636             4.88918
     C             1.22722             6.32584             3.85707
     C             2.16021             6.48991             4.97566
     C             1.86611             5.45880             5.96419
     C             0.75794             4.66313             5.46728
     C             0.35457             5.18251             4.16275
     C             5.38869             6.58068             3.28644
     C             5.75262             6.09352             4.62742
     C             4.59636             6.27917             5.51073
     C             3.51823             6.89363             4.73787
     C             4.00719             7.07776             3.36408
     C             7.03679             2.76809             3.82623
     C             6.55195             2.59676             5.20681
     C             6.25083             3.93250             5.77017
     C             6.56861             4.93066             4.74597
     C             7.01525             4.21860             3.53795
     C            11.90699             3.50000             2.83020
     C            11.90699             3.50000             4.21180
     C            13.10563             3.50000             2.08437
     H            13.11335             3.50000             0.99545
     C            14.28042             3.50000             2.82324
     H            15.23704             3.50000             2.30600
     C            14.28042             3.50000             4.21876
     H            15.23704             3.50000             4.73600
     C            13.10563             3.50000             4.95763
     H            13.11335             3.50000             6.04655
           70
 Energy:   -459.5594850673370    
     C             4.05473             2.09993             0.26448
     C             2.68066             1.71257             0.53624
     C             1.82964             2.89120             0.32922
     C             2.69177             4.02805            -0.03346
     C             4.07367             3.52406            -0.08351
     C             5.75902             0.74786             3.16652
     C             4.83210             0.52140             2.05744
     C             5.10546             1.53283             1.03037
     C             6.22431             2.34783             1.46020
     C             6.62332             1.85823             2.79478
     C             1.62984             0.36601             3.73606
     C             1.24156             0.86954             2.41042
     C             2.42191             0.73413             1.52585
     C             3.49485             0.10974             2.26961
     C             3.01590            -0.13379             3.65635
     C             0.00238             4.22589             3.14384
     C             0.47701             4.37159             1.77345
     C             0.71539             3.03705             1.21945
     C             0.43503             2.05195             2.27395
     C            -0.03103             2.78604             3.46155
     C             3.12221             6.81457             2.28148
     C             3.57333             6.14919             1.06956
     C             2.48105             5.28820             0.60104
     C             1.33837             5.47266             1.50247
     C             1.73979             6.42417             2.53219
     C             6.63052             4.66456             2.23968
     C             6.23877             3.73988             1.18222
     C             5.14436             4.33558             0.40658
     C             4.91253             5.66789             0.98424
     C             5.81830             5.86855             2.12833
     C             4.27043             2.99741             6.97947
     C             2.89747             3.49299             7.04146
     C             2.90772             4.92533             6.76083
     C             4.30699             5.32421             6.52467
     C             5.14373             4.13258             6.64780
     C             3.89700             0.13837             4.74151
     C             3.44258             0.84557             5.93875
     C             4.52948             1.71223             6.39923
     C             5.67990             1.51163             5.51672
     C             5.27752             0.55687             4.49086
     C             0.34940             2.28074             4.74598
     C             0.76094             3.26518             5.74463
     C             1.83090             2.66621             6.55565
     C             2.09624             1.32894             6.02455
     C             1.19471             1.07941             4.89032
     C             1.24765             6.31258             3.85948
     C             2.15604             6.53457             4.98272
     C             1.85247             5.48800             5.96859
     C             0.74568             4.65702             5.47404
     C             0.37801             5.17122             4.15388
     C             5.39430             6.58885             3.30237
     C             5.76975             6.11390             4.64176
     C             4.61021             6.31763             5.53557
     C             3.51457             6.90428             4.74287
     C             4.01495             7.08227             3.37275
     C             7.03271             2.78618             3.81006
     C             6.55121             2.60522             5.19182
     C             6.27066             3.92046             5.76684
     C             6.57105             4.92869             4.74357
     C             7.02895             4.22408             3.53063
     C            11.66502             3.50000             2.83146
     C            11.66502             3.50000             4.21054
     C            12.86007             3.50000             2.08120
     H            12.86852             3.50000             0.99128
     C            14.03639             3.50000             2.82424
     H            14.98880             3.50000             2.29335
     C            14.03639             3.50000             4.21776
     H            14.98880             3.50000             4.74865
     C            12.86007             3.50000             4.96080
     H            12.86852             3.50000             6.05072
           70
 Energy:   -459.5687412264949    
     C             4.04899             2.10983             0.27737
     C             2.66850             1.70230             0.50759
     C             1.81700             2.87064             0.32783
     C             2.70095             4.02738            -0.00541
     C             4.08447             3.53660            -0.04996
     C             5.75602             0.72502             3.16119
     C             4.84113             0.51276             2.04081
     C             5.10164             1.50903             1.01815
     C             6.21756             2.34340             1.48126
     C             6.62621             1.87598             2.81216
     C             1.60773             0.32554             3.72682
     C             1.23683             0.86757             2.39706
     C             2.37950             0.73300             1.51719
     C             3.48426             0.13236             2.28885
     C             3.00357            -0.13499             3.63224
     C            -0.03929             4.21476             3.15073
     C             0.47474             4.36971             1.76918
     C             0.73420             3.04589             1.22155
     C             0.45000             2.05558             2.26568
     C            -0.03842             2.76891             3.45801
     C             3.11694             6.85973             2.27507
     C             3.56673             6.14736             1.07700
     C             2.47476             5.31265             0.57876
     C             1.35065             5.46106             1.48206
     C             1.73106             6.45011             2.50900
     C             6.65800             4.68173             2.24235
     C             6.24344             3.74331             1.17619
     C             5.16033             4.37596             0.41150
     C             4.90418             5.69186             1.00785
     C             5.82332             5.87888             2.13770
     C             4.28314             2.99559             6.96363
     C             2.90162             3.48689             7.03507
     C             2.92304             4.92932             6.74063
     C             4.32466             5.33471             6.52630
     C             5.16486             4.12446             6.62799
     C             3.89539             0.11311             4.73704
     C             3.43560             0.83846             5.93245
     C             4.52391             1.69641             6.42738
     C             5.65828             1.52391             5.51166
     C             5.28370             0.52988             4.49148
     C             0.35900             2.27513             4.73499
     C             0.76324             3.24887             5.76499
     C             1.84904             2.66831             6.54333
     C             2.10421             1.30552             6.01372
     C             1.16574             1.04739             4.90579
     C             1.25237             6.28806             3.83605
     C             2.15323             6.54368             4.98767
     C             1.85072             5.53547             6.01803
     C             0.76909             4.66554             5.48948
     C             0.39188             5.14007             4.15442
     C             5.39289             6.58283             3.30096
     C             5.77793             6.12066             4.64639
     C             4.62815             6.33611             5.55119
     C             3.53195             6.92210             4.75506
     C             3.99888             7.06880             3.36802
     C             7.01126             2.79973             3.81479
     C             6.53590             2.59594             5.18481
     C             6.27078             3.92773             5.76760
     C             6.57428             4.93427             4.73515
     C             7.04027             4.22715             3.53812
     C            11.40928             3.50000             2.83232
     C            11.40928             3.50000             4.20968
     C            12.61769             3.50000             2.09516
     H            12.57333             3.50000             1.00611
     C            13.80625             3.50000             2.82069
     H            14.76456             3.50000             2.29221
     C            13.80625             3.50000             4.22131
     H            14.76456             3.50000             4.74979
     C            12.61769             3.50000             4.94684
     H            12.57333             3.50000             6.03589
           70
 Energy:   -459.5467823801479    
     C             4.06994             2.10839             0.27175
     C             2.66887             1.68313             0.47576
     C             1.83650             2.88341             0.32336
     C             2.70850             4.01498             0.03281
     C             4.09379             3.55592            -0.01137
     C             5.76460             0.70972             3.13922
     C             4.81504             0.49437             2.02772
     C             5.13256             1.50445             1.00185
     C             6.21781             2.35308             1.49637
     C             6.60556             1.85968             2.81783
     C             1.57325             0.32983             3.72546
     C             1.22215             0.88444             2.40425
     C             2.38025             0.71432             1.49507
     C             3.46701             0.13412             2.27981
     C             2.99589            -0.10808             3.65870
     C            -0.04134             4.19034             3.16065
     C             0.45850             4.39929             1.80188
     C             0.73995             3.06019             1.23542
     C             0.43506             2.05230             2.25700
     C            -0.02906             2.74368             3.43973
     C             3.09342             6.89099             2.25572
     C             3.56418             6.16349             1.06995
     C             2.46401             5.31911             0.55061
     C             1.33056             5.48756             1.47139
     C             1.70443             6.46154             2.49083
     C             6.68199             4.70532             2.23509
     C             6.26305             3.74953             1.20321
     C             5.17776             4.37731             0.42732
     C             4.90682             5.69615             1.01581
     C             5.82274             5.89872             2.13071
     C             4.28975             2.98688             6.94820
     C             2.91581             3.48874             7.00979
     C             2.94004             4.93778             6.74447
     C             4.33165             5.33217             6.51546
     C             5.15937             4.12021             6.63204
     C             3.90407             0.09550             4.74386
     C             3.43737             0.82368             5.93929
     C             4.53312             1.67777             6.42029
     C             5.65798             1.50422             5.51131
     C             5.29533             0.52786             4.48473
     C             0.35240             2.28595             4.74038
     C             0.76718             3.25351             5.76803
     C             1.85951             2.63481             6.53021
     C             2.08798             1.30051             6.00542
     C             1.14754             1.04756             4.89780
     C             1.26413             6.26859             3.83612
     C             2.16317             6.53448             4.97451
     C             1.84684             5.54869             6.03760
     C             0.79901             4.65532             5.52029
     C             0.40910             5.11757             4.17183
     C             5.36883             6.57634             3.30476
     C             5.77442             6.11867             4.63178
     C             4.64301             6.33753             5.54277
     C             3.52528             6.92799             4.76471
     C             3.99867             7.05999             3.37373
     C             6.99744             2.78759             3.83442
     C             6.50506             2.61247             5.19612
     C             6.27588             3.93589             5.74887
     C             6.58507             4.94703             4.74592
     C             7.04119             4.23740             3.54137
     C            11.15770             3.50000             2.83315
     C            11.15770             3.50000             4.20885
     C            12.37409             3.50000             2.10836
     H            12.35858             3.50000             1.01835
     C            13.56675             3.50000             2.82675
     H            14.51876             3.50000             2.28615
     C            13.56675             3.50000             4.21525
     H            14.51876             3.50000             4.75585
     C            12.37409             3.50000             4.93364
     H            12.35858             3.50000             6.02365
           70
 Energy:   -459.5749726077593    
     C             4.09025             2.09753             0.24474
     C             2.69491             1.67566             0.46258
     C             1.84538             2.89168             0.35409
     C             2.72935             4.03448             0.05323
     C             4.09972             3.53771             0.02007
     C             5.74117             0.68728             3.13748
     C             4.82712             0.49732             2.01443
     C             5.14681             1.50896             0.99332
     C             6.23030             2.35957             1.50359
     C             6.59387             1.84783             2.82488
     C             1.58400             0.37914             3.72827
     C             1.22566             0.87561             2.37836
     C             2.37317             0.70897             1.49003
     C             3.45765             0.10908             2.27906
     C             2.97436            -0.07665             3.66503
     C             0.00519             4.19551             3.20246
     C             0.45959             4.39918             1.80778
     C             0.74151             3.08546             1.22941
     C             0.41554             2.05876             2.23424
     C            -0.03669             2.75708             3.45760
     C             3.07895             6.88552             2.25534
     C             3.55728             6.18541             1.03838
     C             2.44628             5.33236             0.57282
     C             1.28080             5.52450             1.45414
     C             1.68923             6.47612             2.50632
     C             6.69193             4.73275             2.25367
     C             6.28099             3.76435             1.22854
     C             5.18549             4.35005             0.46146
     C             4.90693             5.68560             0.99774
     C             5.83549             5.91250             2.12487
     C             4.28775             2.97635             6.93302
     C             2.91412             3.47389             6.97564
     C             2.93713             4.93643             6.76479
     C             4.33831             5.32108             6.50629
     C             5.16115             4.12818             6.63580
     C             3.91027             0.10310             4.74944
     C             3.43978             0.80051             5.94797
     C             4.53410             1.67357             6.40067
     C             5.69196             1.48347             5.50952
     C             5.28918             0.52131             4.47086
     C             0.33010             2.28834             4.74825
     C             0.78502             3.24299             5.76665
     C             1.85858             2.64505             6.53411
     C             2.09206             1.27906             5.99396
     C             1.13821             1.08149             4.88983
     C             1.27157             6.24903             3.84933
     C             2.16787             6.51083             4.98145
     C             1.87523             5.52381             6.01454
     C             0.79519             4.64933             5.52491
     C             0.42669             5.10272             4.20164
     C             5.35655             6.56756             3.28788
     C             5.76356             6.11506             4.61835
     C             4.62566             6.32332             5.52967
     C             3.52401             6.91259             4.74943
     C             3.96460             7.07403             3.36093
     C             6.98416             2.78458             3.82431
     C             6.48768             2.62019             5.19886
     C             6.25395             3.94985             5.77267
     C             6.59951             4.95441             4.74512
     C             7.04377             4.22859             3.54012
     C            10.91996             3.50000             2.83109
     C            10.91996             3.50000             4.21091
     C            12.13019             3.50000             2.10287
     H            12.15357             3.50000             1.01363
     C            13.31556             3.50000             2.82670
     H            14.26631             3.50000             2.28771
     C            13.31556             3.50000             4.21530
     H            14.26631             3.50000             4.75429
     C            12.13019             3.50000             4.93913
     H            12.15357             3.50000             6.02837
           70
 Energy:   -459.5423953733847    
     C             4.08911             2.07963             0.22379
     C             2.69879             1.68774             0.48629
     C             1.87440             2.89305             0.38278
     C             2.73903             4.03739             0.08163
     C             4.11761             3.52716             0.01615
     C             5.73114             0.70117             3.13383
     C             4.81770             0.49150             2.00246
     C             5.14560             1.50826             0.99305
     C             6.24642             2.34816             1.50706
     C             6.59908             1.84499             2.83526
     C             1.60919             0.44894             3.69698
     C             1.20937             0.89283             2.35539
     C             2.38878             0.70771             1.47371
     C             3.48035             0.09956             2.27487
     C             2.99420            -0.06004             3.64505
     C             0.05591             4.20833             3.19148
     C             0.47089             4.41046             1.81698
     C             0.72943             3.08439             1.22782
     C             0.40317             2.06667             2.24272
     C            -0.04223             2.77034             3.46126
     C             3.07649             6.87010             2.25078
     C             3.54029             6.18820             1.04448
     C             2.42870             5.34310             0.58217
     C             1.25970             5.55443             1.46106
     C             1.67983             6.47944             2.52116
     C             6.69262             4.72970             2.26602
     C             6.28896             3.75531             1.24757
     C             5.17520             4.33454             0.49195
     C             4.89887             5.68795             0.98721
     C             5.82914             5.92292             2.09981
     C             4.28635             2.97988             6.90980
     C             2.91937             3.46738             6.98539
     C             2.94115             4.90319             6.76496
     C             4.31103             5.32748             6.52349
     C             5.15149             4.11902             6.65196
     C             3.88440             0.11172             4.72849
     C             3.44672             0.80044             5.94655
     C             4.54640             1.67310             6.40171
     C             5.68691             1.47297             5.50918
     C             5.27980             0.50207             4.48084
     C             0.31837             2.29399             4.76943
     C             0.76475             3.24718             5.77335
     C             1.85739             2.62676             6.52635
     C             2.10037             1.29425             6.00454
     C             1.15497             1.09253             4.88629
     C             1.27018             6.25037             3.86958
     C             2.17861             6.48650             4.98544
     C             1.89546             5.47309             6.00833
     C             0.80082             4.64098             5.53342
     C             0.42854             5.12582             4.20679
     C             5.33772             6.58995             3.26724
     C             5.74780             6.10584             4.60648
     C             4.60204             6.29328             5.50383
     C             3.50923             6.89251             4.72889
     C             3.97007             7.07564             3.34697
     C             6.96528             2.79831             3.82622
     C             6.50616             2.61341             5.18691
     C             6.27098             3.94708             5.76267
     C             6.58993             4.95011             4.74760
     C             7.04996             4.23122             3.55651
     C            10.68653             3.50000             2.83187
     C            10.68653             3.50000             4.21013
     C            11.88638             3.50000             2.08250
     H            11.85664             3.50000             0.99240
     C            13.06639             3.50000             2.82206
     H            14.02431             3.50000             2.30172
     C            13.06639             3.50000             4.21994
     H            14.02431             3.50000             4.74028
     C            11.88638             3.50000             4.95950
     H            11.85664             3.50000             6.04960
           70
 Energy:   -459.5374239340292    
     C             4.09045             2.07993             0.22992
     C             2.70182             1.70450             0.50526
     C             1.86987             2.90331             0.41555
     C             2.74117             4.02570             0.10794
     C             4.10833             3.53192            -0.01800
     C             5.73320             0.71423             3.14958
     C             4.83778             0.49696             2.01215
     C             5.14887             1.49637             0.98820
     C             6.24945             2.32546             1.49710
     C             6.60065             1.85208             2.83073
     C             1.64071             0.47789             3.68077
     C             1.23914             0.92306             2.34647
     C             2.39391             0.69861             1.46394
     C             3.47089             0.11332             2.23360
     C             2.99445            -0.04133             3.60405
     C             0.05411             4.21726             3.18636
     C             0.48982             4.41385             1.80009
     C             0.72715             3.08264             1.23344
     C             0.39018             2.07725             2.25065
     C            -0.02175             2.78373             3.46184
     C             3.07014             6.87672             2.26768
     C             3.53589             6.15894             1.06876
     C             2.42550             5.33792             0.56582
     C             1.28290             5.54765             1.47446
     C             1.69010             6.48577             2.52746
     C             6.67469             4.72541             2.25893
     C             6.26378             3.73643             1.25445
     C             5.16998             4.33833             0.48842
     C             4.87978             5.68337             0.99601
     C             5.82357             5.92736             2.10035
     C             4.29127             2.96480             6.91390
     C             2.92074             3.43655             7.01828
     C             2.92941             4.87144             6.76564
     C             4.31592             5.31538             6.53904
     C             5.17270             4.12719             6.63304
     C             3.88569             0.12148             4.73142
     C             3.43845             0.83186             5.93619
     C             4.54737             1.66245             6.41093
     C             5.67823             1.48156             5.50115
     C             5.28321             0.50078             4.47610
     C             0.31285             2.29101             4.75926
     C             0.74063             3.23850             5.81255
     C             1.85288             2.64527             6.54619
     C             2.10169             1.30611             5.99851
     C             1.18460             1.09703             4.87771
     C             1.26419             6.29104             3.87519
     C             2.18141             6.46067             4.99418
     C             1.88896             5.46176             6.00711
     C             0.79151             4.63709             5.52122
     C             0.40584             5.13748             4.20270
     C             5.36690             6.60587             3.26324
     C             5.72784             6.09113             4.58025
     C             4.58278             6.25949             5.48910
     C             3.51079             6.87484             4.71271
     C             3.97295             7.07380             3.34402
     C             6.97756             2.79932             3.82248
     C             6.51433             2.59263             5.20189
     C             6.27395             3.92387             5.77562
     C             6.56525             4.95135             4.75088
     C             7.04354             4.25358             3.55753
     C            10.44565             3.50000             2.83167
     C            10.44565             3.50000             4.21033
     C            11.64112             3.50000             2.07951
     H            11.59434             3.50000             0.99088
     C            12.82012             3.50000             2.81884
     H            13.77136             3.50000             2.29186
     C            12.82012             3.50000             4.22316
     H            13.77136             3.50000             4.75014
     C            11.64112             3.50000             4.96249
     H            11.59434             3.50000             6.05112
           70
 Energy:   -459.6011239724076    
     C             4.09404             2.10250             0.24463
     C             2.70294             1.71242             0.49446
     C             1.86908             2.89741             0.42833
     C             2.72074             4.03036             0.08744
     C             4.09542             3.53340            -0.03720
     C             5.74812             0.71609             3.14745
     C             4.84058             0.49564             2.01814
     C             5.15969             1.48334             0.97962
     C             6.24354             2.33427             1.47965
     C             6.60709             1.85804             2.82199
     C             1.65338             0.46896             3.68406
     C             1.26745             0.95051             2.36218
     C             2.37126             0.71631             1.43723
     C             3.48720             0.11605             2.21507
     C             3.02836            -0.03238             3.60663
     C             0.01299             4.23124             3.17721
     C             0.48013             4.40636             1.80831
     C             0.72186             3.09178             1.23959
     C             0.41250             2.07813             2.23937
     C            -0.00604             2.79188             3.46598
     C             3.08482             6.87841             2.26437
     C             3.54282             6.14861             1.08761
     C             2.44964             5.33453             0.58517
     C             1.31374             5.51760             1.47609
     C             1.69184             6.48882             2.52670
     C             6.64963             4.71813             2.25169
     C             6.22416             3.73949             1.24107
     C             5.15523             4.33959             0.44445
     C             4.88260             5.66165             1.02255
     C             5.82712             5.91238             2.10536
     C             4.32040             2.95768             6.95935
     C             2.93136             3.42889             7.04834
     C             2.92863             4.87758             6.77989
     C             4.31982             5.28835             6.51604
     C             5.15646             4.09183             6.64030
     C             3.89040             0.13101             4.71172
     C             3.43495             0.84563             5.91404
     C             4.54859             1.66164             6.40653
     C             5.68084             1.47497             5.50738
     C             5.28371             0.52798             4.48250
     C             0.33643             2.29037             4.76337
     C             0.71355             3.23760             5.82331
     C             1.82199             2.63298             6.58385
     C             2.09786             1.33149             5.99027
     C             1.18988             1.12521             4.85820
     C             1.23042             6.30455             3.87663
     C             2.17683             6.47682             4.98896
     C             1.86831             5.45770             6.00921
     C             0.75676             4.63307             5.51130
     C             0.38408             5.15683             4.19306
     C             5.37814             6.61821             3.27292
     C             5.72479             6.06978             4.60065
     C             4.58836             6.23733             5.48389
     C             3.51393             6.84895             4.72488
     C             3.99063             7.08638             3.35105
     C             7.01106             2.79647             3.82603
     C             6.53050             2.59911             5.19885
     C             6.28228             3.92528             5.77515
     C             6.55475             4.92502             4.75253
     C             7.02237             4.23977             3.54458
     C            10.19185             3.50000             2.83265
     C            10.19185             3.50000             4.20935
     C            11.39658             3.50000             2.09620
     H            11.40902             3.50000             1.00784
     C            12.58106             3.50000             2.82574
     H            13.53083             3.50000             2.29878
     C            12.58106             3.50000             4.21626
     H            13.53083             3.50000             4.74322
     C            11.39658             3.50000             4.94580
     H            11.40902             3.50000             6.03416
           70
 Energy:   -459.6675041219717    
     C             4.08749             2.10334             0.24596
     C             2.69995             1.71052             0.46948
     C             1.86139             2.91114             0.38667
     C             2.71042             4.03668             0.03498
     C             4.08238             3.54698            -0.04872
     C             5.76222             0.72035             3.13142
     C             4.85183             0.49254             1.99169
     C             5.15500             1.49735             0.96858
     C             6.23712             2.35127             1.48312
     C             6.62893             1.86450             2.80646
     C             1.66550             0.45554             3.69316
     C             1.26654             0.94190             2.37496
     C             2.40230             0.71414             1.45685
     C             3.48477             0.11300             2.22651
     C             3.03074            -0.04484             3.59813
     C            -0.03322             4.23171             3.17730
     C             0.45280             4.42129             1.81200
     C             0.73002             3.09315             1.23270
     C             0.44019             2.09908             2.26870
     C            -0.01856             2.78948             3.46191
     C             3.10071             6.88236             2.27592
     C             3.57074             6.15925             1.09129
     C             2.47296             5.31339             0.61850
     C             1.31498             5.50483             1.50241
     C             1.69194             6.47779             2.52396
     C             6.63294             4.67970             2.25127
     C             6.21891             3.74608             1.20486
     C             5.15182             4.36254             0.42853
     C             4.88397             5.66293             1.01385
     C             5.81535             5.89837             2.12475
     C             4.29274             2.93301             7.01533
     C             2.90764             3.43596             7.07782
     C             2.92520             4.88328             6.77725
     C             4.30614             5.24862             6.48763
     C             5.16893             4.07507             6.65264
     C             3.91714             0.15956             4.70922
     C             3.44013             0.84985             5.89770
     C             4.55090             1.67215             6.41042
     C             5.71017             1.49479             5.52310
     C             5.29872             0.54536             4.46398
     C             0.34394             2.32485             4.74862
     C             0.70404             3.25083             5.81971
     C             1.80454             2.63739             6.62069
     C             2.10534             1.33068             5.98436
     C             1.20675             1.14035             4.85708
     C             1.21670             6.30338             3.86348
     C             2.14085             6.48846             4.98859
     C             1.85744             5.45852             6.01223
     C             0.73263             4.64945             5.51867
     C             0.34483             5.15983             4.19044
     C             5.38801             6.59753             3.29581
     C             5.75363             6.06790             4.61508
     C             4.59687             6.22139             5.50045
     C             3.51440             6.84687             4.72944
     C             3.99688             7.09912             3.37170
     C             7.02781             2.77586             3.82159
     C             6.55197             2.58996             5.19762
     C             6.27249             3.91083             5.77366
     C             6.56370             4.90798             4.73200
     C             7.00733             4.20485             3.53649
     C             9.93888             3.50000             2.83044
     C             9.93888             3.50000             4.21156
     C            11.15799             3.50000             2.10779
     H            11.16274             3.50000             1.01955
     C            12.34699             3.50000             2.82717
     H            13.29407             3.50000             2.29224
     C            12.34699             3.50000             4.21483
     H            13.29407             3.50000             4.74976
     C            11.15799             3.50000             4.93421
     H            11.16274             3.50000             6.02245
           70
 Energy:   -459.5512332414438    
     C             4.07682             2.11778             0.21416
     C             2.67988             1.69944             0.47033
     C             1.82781             2.90642             0.31639
     C             2.71808             4.04837            -0.00116
     C             4.09729             3.55421            -0.06411
     C             5.77507             0.72087             3.10171
     C             4.86235             0.49018             1.97395
     C             5.14375             1.52981             0.97014
     C             6.23193             2.35662             1.46831
     C             6.63904             1.84888             2.77996
     C             1.65983             0.44788             3.70698
     C             1.27301             0.91903             2.36959
     C             2.41643             0.73298             1.47759
     C             3.51509             0.10915             2.23823
     C             3.03388            -0.06748             3.62444
     C            -0.07332             4.23083             3.17878
     C             0.42419             4.42434             1.79386
     C             0.74653             3.10494             1.24196
     C             0.47241             2.10083             2.27699
     C            -0.05197             2.80544             3.45854
     C             3.09471             6.88786             2.29836
     C             3.55230             6.17066             1.09638
     C             2.46672             5.30025             0.63467
     C             1.32733             5.50912             1.51416
     C             1.71713             6.47751             2.54290
     C             6.62094             4.66199             2.24830
     C             6.24774             3.74419             1.17565
     C             5.15597             4.36951             0.42320
     C             4.91010             5.70884             0.99432
     C             5.80297             5.86282             2.14199
     C             4.26121             2.93858             7.04295
     C             2.86416             3.44698             7.11653
     C             2.90358             4.85607             6.74834
     C             4.30179             5.23007             6.48372
     C             5.14986             4.05532             6.66942
     C             3.93010             0.17503             4.68771
     C             3.46558             0.86914             5.90203
     C             4.55526             1.66923             6.42726
     C             5.71018             1.48710             5.52488
     C             5.33520             0.57002             4.45571
     C             0.35765             2.33153             4.74546
     C             0.72340             3.26954             5.82733
     C             1.79352             2.64346             6.60758
     C             2.11382             1.33861             6.00898
     C             1.21247             1.15558             4.85666
     C             1.20970             6.28629             3.86115
     C             2.14472             6.48715             4.99185
     C             1.84808             5.48075             6.00451
     C             0.72160             4.67166             5.53614
     C             0.31449             5.16105             4.20622
     C             5.38217             6.57600             3.30692
     C             5.76928             6.07932             4.62635
     C             4.59777             6.22326             5.50427
     C             3.49614             6.85679             4.75686
     C             4.00404             7.08355             3.38772
     C             7.02741             2.74839             3.82299
     C             6.58400             2.57340             5.20664
     C             6.27078             3.88862             5.76009
     C             6.57262             4.89454             4.73187
     C             7.01542             4.17971             3.52532
     C             9.70429             3.50000             2.83369
     C             9.70429             3.50000             4.20831
     C            10.91499             3.50000             2.10065
     H            10.87149             3.50000             1.01248
     C            12.10879             3.50000             2.82224
     H            13.05852             3.50000             2.28429
     C            12.10879             3.50000             4.21976
     H            13.05852             3.50000             4.75771
     C            10.91499             3.50000             4.94135
     H            10.87149             3.50000             6.02952
           70
 Energy:   -459.4386837278430    
     C             4.06571             2.11791             0.19397
     C             2.67948             1.72547             0.45212
     C             1.81383             2.90002             0.27996
     C             2.70862             4.04866            -0.00862
     C             4.09520             3.56039            -0.08478
     C             5.79227             0.70201             3.09594
     C             4.86605             0.50685             1.97255
     C             5.11184             1.53994             0.96211
     C             6.24677             2.35300             1.43633
     C             6.64765             1.84131             2.75759
     C             1.65599             0.42937             3.70794
     C             1.28292             0.92515             2.38858
     C             2.42673             0.74354             1.48358
     C             3.51230             0.11152             2.24968
     C             3.04137            -0.07732             3.62763
     C            -0.09566             4.26327             3.16455
     C             0.42626             4.43680             1.79895
     C             0.76014             3.10627             1.23657
     C             0.48231             2.09997             2.26439
     C            -0.05368             2.78495             3.46383
     C             3.10008             6.87892             2.30182
     C             3.55770             6.17527             1.09940
     C             2.46139             5.31531             0.62089
     C             1.31439             5.50856             1.52417
     C             1.70604             6.46125             2.56684
     C             6.63459             4.66160             2.24867
     C             6.26545             3.75789             1.17037
     C             5.17711             4.38308             0.39759
     C             4.90567             5.72247             0.98280
     C             5.79840             5.85669             2.15177
     C             4.25718             2.92975             7.03670
     C             2.86478             3.43795             7.12639
     C             2.89047             4.86248             6.72470
     C             4.27956             5.23737             6.49060
     C             5.12919             4.04645             6.64921
     C             3.95143             0.19038             4.70618
     C             3.45890             0.87254             5.90418
     C             4.57217             1.67339             6.44589
     C             5.72019             1.48150             5.53802
     C             5.32273             0.57004             4.44394
     C             0.36073             2.34532             4.75735
     C             0.73360             3.27405             5.80591
     C             1.80321             2.64719             6.60266
     C             2.11621             1.35014             6.00703
     C             1.22342             1.15185             4.87115
     C             1.22046             6.27665             3.88948
     C             2.14869             6.47975             4.98306
     C             1.84003             5.48977             6.01143
     C             0.70857             4.67689             5.55289
     C             0.30913             5.16620             4.21360
     C             5.36543             6.55906             3.30688
     C             5.75665             6.06390             4.64183
     C             4.59671             6.23137             5.53010
     C             3.52492             6.86646             4.76649
     C             3.98849             7.05758             3.39952
     C             7.03085             2.72921             3.80905
     C             6.58884             2.55089             5.21823
     C             6.25705             3.87955             5.78353
     C             6.56539             4.88569             4.74295
     C             7.02810             4.17653             3.53389
     C             9.47167             3.50000             2.83258
     C             9.47167             3.50000             4.20942
     C            10.66884             3.50000             2.08588
     H            10.65359             3.50000             0.99588
     C            11.84855             3.50000             2.82215
     H            12.80730             3.50000             2.29619
     C            11.84855             3.50000             4.21985
     H            12.80730             3.50000             4.74581
     C            10.66884             3.50000             4.95612
     H            10.65359             3.50000             6.04612
           70
 Energy:   -459.5425146902141    
     C             4.06556             2.13065             0.19066
     C             2.67812             1.71584             0.44277
     C             1.83133             2.92457             0.31294
     C             2.69340             4.06714            -0.00435
     C             4.08740             3.57857            -0.09704
     C             5.79233             0.69811             3.09881
     C             4.83683             0.51515             1.98913
     C             5.12058             1.53124             0.95819
     C             6.25124             2.34620             1.41443
     C             6.66506             1.84256             2.75214
     C             1.66824             0.42067             3.72536
     C             1.29620             0.95480             2.39168
     C             2.42543             0.76444             1.47136
     C             3.50168             0.13022             2.24146
     C             3.04553            -0.06393             3.62706
     C            -0.08292             4.23689             3.18066
     C             0.44803             4.42065             1.80338
     C             0.74524             3.11185             1.22719
     C             0.46523             2.10941             2.26434
     C            -0.03245             2.80675             3.44644
     C             3.08130             6.84975             2.30677
     C             3.55843             6.16900             1.08786
     C             2.44860             5.34072             0.59965
     C             1.31166             5.51999             1.50930
     C             1.70124             6.44687             2.55906
     C             6.65482             4.68070             2.25980
     C             6.26219             3.75807             1.16389
     C             5.18599             4.39019             0.36587
     C             4.90272             5.67965             0.99635
     C             5.80311             5.87894             2.13518
     C             4.27556             2.93508             7.01286
     C             2.89618             3.44491             7.08591
     C             2.89701             4.86320             6.76578
     C             4.27419             5.24390             6.49836
     C             5.11147             4.07049             6.62447
     C             3.91103             0.17329             4.71412
     C             3.46531             0.86972             5.91904
     C             4.56838             1.64706             6.44242
     C             5.73047             1.45362             5.54032
     C             5.31505             0.56606             4.45673
     C             0.36166             2.32061             4.73830
     C             0.74068             3.27029             5.81087
     C             1.81126             2.65110             6.60328
     C             2.12735             1.34843             5.98978
     C             1.21179             1.13700             4.86732
     C             1.22993             6.28364             3.88844
     C             2.17497             6.47484             5.00758
     C             1.83171             5.48245             6.02860
     C             0.69823             4.67611             5.54524
     C             0.31951             5.17138             4.21660
     C             5.35279             6.53504             3.32754
     C             5.73251             6.03163             4.64258
     C             4.60520             6.25121             5.55318
     C             3.51213             6.86200             4.77471
     C             3.98551             7.04374             3.39634
     C             7.03581             2.74657             3.81863
     C             6.57749             2.56335             5.21062
     C             6.26072             3.87078             5.78366
     C             6.54841             4.87005             4.76171
     C             7.02556             4.18678             3.55465
     C             9.22584             3.50000             2.82868
     C             9.22584             3.50000             4.21332
     C            10.42451             3.50000             2.08033
     H            10.43933             3.50000             0.98960
     C            11.59490             3.50000             2.82569
     H            12.55367             3.50000             2.29954
     C            11.59490             3.50000             4.21631
     H            12.55367             3.50000             4.74246
     C            10.42451             3.50000             4.96167
     H            10.43933             3.50000             6.05240
           70
 Energy:   -459.6483837448094    
     C             4.08492             2.14198             0.19829
     C             2.68287             1.73883             0.44300
     C             1.84882             2.93845             0.37113
     C             2.70862             4.08278             0.00636
     C             4.08350             3.58995            -0.09861
     C             5.76536             0.72812             3.11457
     C             4.84185             0.53410             1.99383
     C             5.13607             1.52142             0.95443
     C             6.25852             2.34496             1.44023
     C             6.66661             1.85074             2.77376
     C             1.66063             0.45248             3.69059
     C             1.28966             0.97777             2.39290
     C             2.40368             0.77335             1.47772
     C             3.48447             0.14921             2.23622
     C             3.02626            -0.05019             3.60636
     C            -0.01264             4.23992             3.18455
     C             0.45496             4.42987             1.81580
     C             0.72517             3.10546             1.23022
     C             0.45004             2.11109             2.25554
     C            -0.01261             2.79793             3.46452
     C             3.09603             6.82714             2.30671
     C             3.54557             6.15338             1.08857
     C             2.42943             5.36095             0.56716
     C             1.29852             5.51975             1.47706
     C             1.70378             6.44751             2.54066
     C             6.65418             4.69076             2.24691
     C             6.26913             3.74894             1.16493
     C             5.18391             4.36954             0.38284
     C             4.88298             5.67265             1.00922
     C             5.81389             5.87964             2.13090
     C             4.29277             2.94283             6.96349
     C             2.90576             3.42661             7.05166
     C             2.89933             4.88024             6.81229
     C             4.28876             5.27598             6.51995
     C             5.14691             4.07317             6.61650
     C             3.91717             0.15391             4.71483
     C             3.45475             0.84020             5.92604
     C             4.58628             1.64765             6.44012
     C             5.72555             1.44724             5.53724
     C             5.30334             0.52721             4.45628
     C             0.36240             2.31110             4.73363
     C             0.71868             3.24846             5.80387
     C             1.82799             2.63969             6.57348
     C             2.11901             1.34302             5.99224
     C             1.20484             1.11705             4.86968
     C             1.24007             6.28630             3.88745
     C             2.14611             6.46317             5.02889
     C             1.83766             5.46411             6.05760
     C             0.72044             4.65816             5.54527
     C             0.33556             5.16479             4.20379
     C             5.35030             6.51138             3.31460
     C             5.71339             6.01721             4.64768
     C             4.59381             6.26612             5.54769
     C             3.51250             6.86519             4.78121
     C             3.97774             7.03110             3.40142
     C             7.03099             2.76161             3.81863
     C             6.55496             2.54986             5.20283
     C             6.25496             3.87092             5.77116
     C             6.54164             4.87650             4.76294
     C             7.01214             4.21076             3.55117
     C             8.97300             3.50000             2.83313
     C             8.97300             3.50000             4.20887
     C            10.17750             3.50000             2.09277
     H            10.15867             3.50000             1.00228
     C            11.36608             3.50000             2.82157
     H            12.32300             3.50000             2.29160
     C            11.36608             3.50000             4.22043
     H            12.32300             3.50000             4.75040
     C            10.17750             3.50000             4.94923
     H            10.15867             3.50000             6.03972
           70
 Energy:   -459.4145604726266    
     C             4.09021             2.13940             0.20365
     C             2.70727             1.76426             0.49059
     C             1.86088             2.95863             0.39016
     C             2.71718             4.06867             0.02135
     C             4.10744             3.57291            -0.08324
     C             5.74063             0.75927             3.13176
     C             4.83785             0.54414             1.99157
     C             5.15822             1.54254             0.95893
     C             6.27332             2.35147             1.47124
     C             6.62803             1.85544             2.80016
     C             1.64348             0.48517             3.68293
     C             1.26176             0.97683             2.36159
     C             2.39671             0.78838             1.45831
     C             3.49349             0.16485             2.22457
     C             3.01506            -0.03541             3.60659
     C             0.04540             4.23653             3.18998
     C             0.45392             4.43195             1.79974
     C             0.72118             3.12183             1.23756
     C             0.42072             2.10694             2.25648
     C            -0.00124             2.79902             3.46267
     C             3.10112             6.81704             2.29824
     C             3.54294             6.14531             1.08621
     C             2.42539             5.37121             0.54014
     C             1.27977             5.54689             1.46172
     C             1.70051             6.45325             2.54515
     C             6.65831             4.67636             2.22954
     C             6.28030             3.74949             1.18394
     C             5.17094             4.36402             0.43536
     C             4.88478             5.67644             1.00491
     C             5.80147             5.86223             2.12370
     C             4.29061             2.94684             6.92134
     C             2.91750             3.42552             7.03916
     C             2.92140             4.88203             6.83002
     C             4.31773             5.29103             6.57296
     C             5.15315             4.09005             6.64001
     C             3.90966             0.12083             4.69947
     C             3.46102             0.81488             5.92855
     C             4.57117             1.63969             6.42083
     C             5.71267             1.43330             5.51168
     C             5.30998             0.50585             4.46600
     C             0.34822             2.29168             4.75957
     C             0.72249             3.22830             5.80393
     C             1.82783             2.64086             6.53873
     C             2.11428             1.29654             5.99127
     C             1.20160             1.11138             4.86820
     C             1.24460             6.27325             3.89088
     C             2.14955             6.48202             5.03271
     C             1.83742             5.46034             6.06095
     C             0.73979             4.62674             5.54401
     C             0.38422             5.15195             4.22695
     C             5.33697             6.51212             3.31460
     C             5.71207             6.04370             4.63697
     C             4.57956             6.25427             5.54771
     C             3.48420             6.87074             4.78044
     C             3.97267             7.01714             3.40041
     C             6.99159             2.76033             3.80576
     C             6.54925             2.55551             5.18095
     C             6.26454             3.87163             5.75261
     C             6.55074             4.89465             4.74134
     C             7.00648             4.21173             3.52646
     C             8.72363             3.50009             2.83179
     C             8.75210             3.51242             4.21614
     C             9.93826             3.49999             2.10795
     H             9.89811             3.50000             1.01942
     C            11.13212             3.50000             2.82403
     H            12.07878             3.50000             2.28200
     C            11.13222             3.49999             4.21804
     H            12.07881             3.49997             4.75999
     C             9.93931             3.50010             4.93440
     H             9.89872             3.49987             6.02260
           70
 Energy:   -458.8391762334558    
     C             4.11073             2.13041             0.22173
     C             2.72269             1.78571             0.52512
     C             1.87696             2.94929             0.38647
     C             2.74326             4.07873             0.02128
     C             4.11588             3.56616            -0.05512
     C             5.71773             0.73076             3.11695
     C             4.83881             0.55662             1.98762
     C             5.17489             1.55713             0.96802
     C             6.27898             2.35689             1.46410
     C             6.57457             1.83802             2.77483
     C             1.64852             0.47492             3.66886
     C             1.24382             0.94250             2.33207
     C             2.41196             0.77435             1.46304
     C             3.48056             0.17223             2.22499
     C             3.01435            -0.01597             3.59010
     C             0.05981             4.22958             3.20159
     C             0.46266             4.44902             1.79772
     C             0.73894             3.12057             1.22024
     C             0.40525             2.11430             2.23110
     C             0.00668             2.80366             3.47512
     C             3.08165             6.82159             2.29584
     C             3.55689             6.16011             1.06653
     C             2.43580             5.36724             0.54988
     C             1.27544             5.57863             1.45146
     C             1.70139             6.45729             2.55121
     C             6.66379             4.70782             2.23870
     C             6.27854             3.75104             1.19157
     C             5.17832             4.34657             0.45078
     C             4.90025             5.66758             1.00429
     C             5.79376             5.87113             2.14240
     C             4.29219             2.93381             6.91202
     C             2.91936             3.43844             7.01952
     C             2.93177             4.88381             6.81371
     C             4.33416             5.30088             6.60952
     C             5.18082             4.08094             6.65279
     C             3.91224             0.09369             4.71050
     C             3.45879             0.78138             5.91100
     C             4.55668             1.63568             6.37677
     C             5.71448             1.44737             5.51043
     C             5.30631             0.49256             4.45628
     C             0.31723             2.27979             4.75787
     C             0.75290             3.22061             5.80960
     C             1.87266             2.61032             6.55554
     C             2.11841             1.28214             5.99476
     C             1.18246             1.10103             4.86207
     C             1.26668             6.26855             3.90719
     C             2.14737             6.49379             5.04241
     C             1.87704             5.47072             6.06282
     C             0.78071             4.62818             5.55466
     C             0.42821             5.10974             4.22599
     C             5.33089             6.52939             3.30642
     C             5.73343             6.06551             4.64194
     C             4.58760             6.24605             5.55779
     C             3.51125             6.86268             4.77386
     C             3.95915             7.01836             3.38912
     C             6.83736             2.77574             3.79497
     C             6.51802             2.56420             5.18094
     C             6.27262             3.90641             5.76212
     C             6.55347             4.91290             4.74045
     C             6.85288             4.22144             3.54847
     C             8.58513             3.44055             2.82708
     C             8.61284             3.58630             4.19100
     C             9.72272             3.49684             2.07680
     H             9.72565             3.50412             0.99478
     C            10.87281             3.50070             2.82742
     H            11.82161             3.50130             2.30226
     C            10.89322             3.49775             4.21895
     H            11.84923             3.49551             4.72489
     C             9.77227             3.50500             4.98531
     H             9.76015             3.48530             6.07448
           70
 Energy:   -458.1834596445387    
     C             4.10467             2.15366             0.24508
     C             2.73718             1.75291             0.51411
     C             1.89780             2.95510             0.36619
     C             2.75084             4.07865             0.02253
     C             4.12308             3.57417            -0.04467
     C             5.72585             0.66882             3.07984
     C             4.80556             0.53398             1.95498
     C             5.15049             1.51889             0.94897
     C             6.26522             2.34190             1.42569
     C             6.57164             1.85715             2.79447
     C             1.62999             0.44174             3.66227
     C             1.23137             0.91890             2.33416
     C             2.39909             0.75773             1.46061
     C             3.49115             0.16600             2.23267
     C             3.03520            -0.02248             3.59754
     C             0.04233             4.22698             3.17969
     C             0.47896             4.44530             1.80931
     C             0.74732             3.13502             1.20690
     C             0.43511             2.08849             2.21896
     C             0.00050             2.77872             3.43856
     C             3.09749             6.85466             2.28855
     C             3.55897             6.18867             1.07416
     C             2.45348             5.36865             0.57264
     C             1.28963             5.56493             1.46018
     C             1.69559             6.46403             2.54608
     C             6.61610             4.73719             2.24764
     C             6.30418             3.77375             1.19886
     C             5.20549             4.36051             0.42706
     C             4.88969             5.67347             1.00989
     C             5.79941             5.92137             2.11634
     C             4.30751             2.93227             6.92523
     C             2.94798             3.42573             7.00799
     C             2.96482             4.88167             6.80435
     C             4.35077             5.29167             6.58604
     C             5.18013             4.07673             6.68811
     C             3.91945             0.07193             4.69205
     C             3.44748             0.77469             5.90110
     C             4.53524             1.64351             6.36977
     C             5.68931             1.43110             5.50501
     C             5.30485             0.48419             4.44436
     C             0.33578             2.29269             4.77340
     C             0.79294             3.21761             5.82702
     C             1.87470             2.58381             6.56809
     C             2.11697             1.26729             5.97063
     C             1.17415             1.07049             4.86346
     C             1.28310             6.26022             3.90165
     C             2.19029             6.50590             5.05042
     C             1.90691             5.49121             6.06357
     C             0.84437             4.62316             5.57180
     C             0.46953             5.10447             4.22994
     C             5.34415             6.56303             3.32005
     C             5.74071             6.11282             4.66433
     C             4.62878             6.26657             5.56667
     C             3.52661             6.84656             4.78881
     C             3.96609             7.02737             3.40262
     C             6.68896             2.81740             3.78382
     C             6.45647             2.61057             5.20561
     C             6.30221             3.91723             5.82487
     C             6.50376             4.93021             4.78730
     C             6.67257             4.19902             3.52268
     C             8.35119             3.37804             2.84510
     C             8.49071             3.63831             4.23170
     C             9.53620             3.47311             2.01655
     H             9.53573             3.52454             0.92487
     C            10.69394             3.50617             2.81619
     H            11.65045             3.52107             2.30341
     C            10.76331             3.48779             4.23254
     H            11.75333             3.46440             4.67836
     C             9.59324             3.53231             5.02464
     H             9.59671             3.46127             6.10669
           70
 Energy:   -457.5668888359126    
     C             4.08939             2.15931             0.23777
     C             2.70377             1.74580             0.46322
     C             1.87750             2.93861             0.35073
     C             2.75898             4.08998             0.03303
     C             4.13911             3.59471            -0.05369
     C             5.77598             0.65399             3.06408
     C             4.83901             0.46774             1.93370
     C             5.14530             1.49400             0.90841
     C             6.26048             2.34029             1.42229
     C             6.54009             1.84696             2.77179
     C             1.62008             0.38761             3.68785
     C             1.25314             0.89445             2.34567
     C             2.38958             0.73616             1.44633
     C             3.45823             0.13868             2.22130
     C             3.00006            -0.06681             3.59582
     C             0.02982             4.21438             3.19519
     C             0.49196             4.41860             1.79817
     C             0.77076             3.11182             1.21243
     C             0.46853             2.09168             2.20664
     C            -0.00230             2.75982             3.44665
     C             3.10527             6.90411             2.30706
     C             3.55303             6.20004             1.09087
     C             2.46713             5.36857             0.58399
     C             1.33433             5.52800             1.49235
     C             1.72579             6.49166             2.54088
     C             6.54427             4.72801             2.25934
     C             6.30360             3.77147             1.15174
     C             5.21435             4.42210             0.39019
     C             4.87922             5.72294             0.97920
     C             5.79655             5.99190             2.08857
     C             4.32695             2.92495             6.95421
     C             2.94994             3.40360             7.02022
     C             2.99318             4.86585             6.79835
     C             4.37834             5.27514             6.53911
     C             5.19571             4.09484             6.75081
     C             3.92144             0.08151             4.69317
     C             3.45486             0.77880             5.88435
     C             4.52400             1.61712             6.39621
     C             5.66305             1.44236             5.50564
     C             5.31824             0.46847             4.42419
     C             0.38755             2.30086             4.73393
     C             0.80553             3.22481             5.81915
     C             1.88326             2.57919             6.56453
     C             2.11093             1.24582             5.96660
     C             1.16758             1.06877             4.86018
     C             1.32158             6.26815             3.89985
     C             2.20016             6.49362             5.03509
     C             1.93510             5.49143             6.07939
     C             0.88359             4.61443             5.54574
     C             0.48191             5.08793             4.23008
     C             5.38622             6.61622             3.32512
     C             5.78186             6.17290             4.68846
     C             4.63309             6.32065             5.59520
     C             3.55440             6.86793             4.80557
     C             3.99077             7.04696             3.42769
     C             6.54725             2.80858             3.82709
     C             6.38963             2.58540             5.20947
     C             6.31780             3.92132             5.89847
     C             6.43510             4.92720             4.79261
     C             6.52795             4.25863             3.55794
     C             8.18700             3.36023             2.85597
     C             8.31928             3.63183             4.24840
     C             9.33210             3.42745             2.08860
     H             9.27714             3.50637             1.00600
     C            10.56723             3.50587             2.79697
     H            11.48144             3.57559             2.20764
     C            10.65384             3.48098             4.23488
     H            11.60498             3.39734             4.75775
     C             9.50355             3.56908             4.98006
     H             9.43975             3.49651             6.06026
           70
 Energy:   -456.7911819032723    
     C             4.09148             2.12855             0.18445
     C             2.68033             1.73400             0.42739
     C             1.87020             2.95192             0.31259
     C             2.74665             4.08216             0.03772
     C             4.11996             3.60136            -0.06575
     C             5.77902             0.62199             3.05602
     C             4.87264             0.39562             1.91778
     C             5.17559             1.48904             0.89957
     C             6.23469             2.35713             1.40823
     C             6.48558             1.88713             2.78143
     C             1.60406             0.35312             3.67570
     C             1.25249             0.90218             2.35405
     C             2.40073             0.73376             1.41898
     C             3.50136             0.08456             2.19697
     C             3.00244            -0.13999             3.58985
     C             0.04440             4.19860             3.18982
     C             0.50741             4.40524             1.82183
     C             0.78355             3.08284             1.23350
     C             0.48004             2.07362             2.25627
     C             0.02428             2.77074             3.43819
     C             3.13420             6.92585             2.31648
     C             3.56641             6.23313             1.09076
     C             2.48470             5.36816             0.61394
     C             1.37159             5.51454             1.54321
     C             1.74606             6.49436             2.57092
     C             6.47093             4.73485             2.25425
     C             6.24887             3.79170             1.12661
     C             5.19395             4.46019             0.33120
     C             4.92459             5.81311             0.92804
     C             5.80567             6.00295             2.09198
     C             4.33136             2.89278             7.01676
     C             2.96189             3.41384             7.04887
     C             2.99530             4.84900             6.77770
     C             4.37153             5.27945             6.55294
     C             5.24258             4.07752             6.81062
     C             3.90446             0.09278             4.65772
     C             3.44275             0.77301             5.88659
     C             4.53671             1.58608             6.43196
     C             5.64759             1.39166             5.54625
     C             5.31851             0.47130             4.42521
     C             0.42689             2.29675             4.71266
     C             0.82077             3.20631             5.76045
     C             1.89588             2.57975             6.55110
     C             2.11251             1.24992             5.99586
     C             1.19817             1.07215             4.85241
     C             1.32578             6.24837             3.89731
     C             2.23228             6.48405             5.04722
     C             1.94201             5.45792             6.04557
     C             0.87937             4.61091             5.52571
     C             0.50249             5.10919             4.19423
     C             5.42882             6.69820             3.32295
     C             5.81093             6.23840             4.73537
     C             4.65418             6.37917             5.61977
     C             3.55075             6.93288             4.80548
     C             4.01799             7.10413             3.42432
     C             6.36709             2.82400             3.81349
     C             6.36106             2.59668             5.24318
     C             6.31100             3.90413             5.86910
     C             6.39816             4.93480             4.84044
     C             6.40732             4.19243             3.58675
     C             8.13947             3.41269             2.92724
     C             8.20141             3.56997             4.24486
     C             9.24687             3.38700             2.15174
     H             9.13075             3.38714             1.07613
     C            10.42243             3.48858             2.80448
     H            11.32263             3.60322             2.21975
     C            10.55475             3.48414             4.14893
     H            11.53151             3.36478             4.61511
     C             9.41808             3.59944             4.93865
     H             9.44458             3.64431             6.02995
           70
 Energy:   -456.1386443185186    
     C             4.10557             2.10301             0.12944
     C             2.71272             1.71575             0.40113
     C             1.85149             2.93158             0.31291
     C             2.71920             4.09206             0.03684
     C             4.08773             3.58376            -0.09860
     C             5.75575             0.62247             3.07138
     C             4.90021             0.39229             1.86652
     C             5.14317             1.45835             0.87661
     C             6.18347             2.39950             1.41447
     C             6.38527             1.90524             2.79018
     C             1.64548             0.33642             3.64164
     C             1.28647             0.88615             2.33455
     C             2.43078             0.72698             1.43825
     C             3.51478             0.02123             2.15714
     C             3.02128            -0.19280             3.53165
     C             0.07799             4.21317             3.18246
     C             0.55145             4.40418             1.83389
     C             0.78353             3.08898             1.24430
     C             0.47693             2.07324             2.26293
     C             0.04879             2.78135             3.46248
     C             3.15240             6.91656             2.31322
     C             3.60301             6.28455             1.05779
     C             2.51642             5.35751             0.65939
     C             1.38251             5.51705             1.57777
     C             1.78879             6.47159             2.59340
     C             6.41090             4.68982             2.30187
     C             6.16375             3.83245             1.16522
     C             5.16492             4.47832             0.29479
     C             4.96806             5.88178             0.87313
     C             5.81068             6.01618             2.11282
     C             4.34347             2.87555             7.09663
     C             2.96401             3.40109             7.06421
     C             2.98919             4.83228             6.75424
     C             4.38729             5.30529             6.61838
     C             5.22814             4.06238             6.82579
     C             3.89076             0.10212             4.65778
     C             3.43504             0.74784             5.90168
     C             4.51775             1.53906             6.48709
     C             5.71759             1.35396             5.59559
     C             5.28031             0.46570             4.44706
     C             0.43842             2.26119             4.71020
     C             0.87076             3.21827             5.73152
     C             1.89553             2.61574             6.54479
     C             2.11529             1.25047             6.00014
     C             1.25189             1.04607             4.83752
     C             1.34761             6.27402             3.92563
     C             2.23577             6.47787             5.03261
     C             1.94466             5.41551             5.99608
     C             0.83625             4.59884             5.48458
     C             0.48628             5.10594             4.18822
     C             5.45738             6.75053             3.34855
     C             5.82412             6.25605             4.74247
     C             4.64128             6.41393             5.65204
     C             3.56907             6.99234             4.81725
     C             4.04294             7.20551             3.42041
     C             6.31489             2.81796             3.82042
     C             6.32603             2.55876             5.20448
     C             6.26862             3.88280             5.87633
     C             6.40006             4.93806             4.80494
     C             6.33613             4.24615             3.57379
     C             8.04291             3.43831             2.92943
     C             8.10063             3.51926             4.38248
     C             9.17363             3.35435             2.07963
     H             9.12644             3.17305             0.99768
     C            10.39824             3.46493             2.72828
     H            11.32107             3.50663             2.13883
     C            10.46727             3.49418             4.14368
     H            11.47631             3.48168             4.57207
     C             9.35170             3.61767             4.94813
     H             9.49720             3.84150             6.00546
           70
 Energy:   -455.8494977486185    
     C             4.08170             2.12009             0.08019
     C             2.71754             1.69607             0.41245
     C             1.87084             2.88236             0.34414
     C             2.71319             4.06001             0.04093
     C             4.10185             3.60263            -0.15934
     C             5.67154             0.65202             3.06876
     C             4.86321             0.38424             1.86369
     C             5.13852             1.48769             0.83116
     C             6.06273             2.39679             1.43658
     C             6.30544             1.91983             2.76742
     C             1.71526             0.33628             3.62120
     C             1.32808             0.89643             2.31206
     C             2.47949             0.72765             1.39697
     C             3.52465            -0.01243             2.09765
     C             3.07662            -0.19273             3.53080
     C             0.10172             4.21103             3.19328
     C             0.59105             4.41022             1.82945
     C             0.78731             3.09351             1.23046
     C             0.49961             2.06613             2.22095
     C             0.05879             2.76201             3.46139
     C             3.20667             6.94468             2.32832
     C             3.60091             6.31481             1.03110
     C             2.54681             5.35748             0.65403
     C             1.44618             5.52727             1.56679
     C             1.84829             6.46124             2.61045
     C             6.32883             4.74564             2.29787
     C             6.07292             3.81222             1.21932
     C             5.14795             4.47963             0.31815
     C             4.97550             5.88771             0.86153
     C             5.81048             6.05921             2.10977
     C             4.32864             2.85499             7.12195
     C             2.96706             3.39066             7.07257
     C             3.00099             4.82184             6.75708
     C             4.38191             5.32652             6.65861
     C             5.17956             4.06992             6.82212
     C             3.87569             0.08003             4.67769
     C             3.44847             0.72119             5.93490
     C             4.58509             1.51568             6.55253
     C             5.69224             1.31172             5.60776
     C             5.28816             0.43911             4.45980
     C             0.45899             2.24255             4.72748
     C             0.86797             3.20300             5.72539
     C             1.91887             2.58275             6.53065
     C             2.14096             1.25088             5.98607
     C             1.27258             1.02306             4.81003
     C             1.32267             6.29609             3.90028
     C             2.25915             6.47959             5.03320
     C             1.96232             5.39656             5.97731
     C             0.85412             4.61136             5.48119
     C             0.45373             5.16891             4.19189
     C             5.45303             6.75678             3.35849
     C             5.79263             6.23010             4.73844
     C             4.66006             6.39621             5.66869
     C             3.56012             7.01601             4.84585
     C             4.06719             7.27810             3.44945
     C             6.28266             2.83523             3.79741
     C             6.31108             2.56496             5.22413
     C             6.24132             3.88559             5.86300
     C             6.37454             4.94371             4.84602
     C             6.32449             4.21716             3.60251
     C             8.05431             3.41145             2.98053
     C             8.09810             3.50483             4.36397
     C             9.09757             3.32683             2.04063
     H             8.99590             3.04075             0.97889
     C            10.38504             3.41930             2.66066
     H            11.32564             3.33069             2.09226
     C            10.42161             3.53252             4.09671
     H            11.40221             3.62638             4.56616
     C             9.34236             3.63849             5.02122
     H             9.44592             3.95332             6.07675
           70
 Energy:   -455.7832255477997    
     C             4.08112             2.12570             0.03724
     C             2.72918             1.72808             0.38518
     C             1.91284             2.91329             0.35856
     C             2.74246             4.05580             0.03885
     C             4.09808             3.61251            -0.20910
     C             5.59555             0.68006             3.05495
     C             4.83661             0.39952             1.82056
     C             5.08264             1.47500             0.80320
     C             5.98484             2.42007             1.47102
     C             6.24771             1.93160             2.79776
     C             1.73367             0.38040             3.60716
     C             1.38276             0.91935             2.29616
     C             2.45737             0.67990             1.36255
     C             3.50587            -0.02817             2.10648
     C             3.10831            -0.15051             3.52641
     C             0.10997             4.20962             3.19249
     C             0.61393             4.42350             1.83385
     C             0.79961             3.08848             1.20983
     C             0.52126             2.05503             2.21972
     C             0.07686             2.73396             3.40814
     C             3.23644             6.99494             2.32651
     C             3.61441             6.31391             1.03010
     C             2.56128             5.36025             0.58535
     C             1.49457             5.50791             1.56889
     C             1.88525             6.47490             2.58608
     C             6.31629             4.72932             2.32414
     C             6.00454             3.81203             1.26559
     C             5.12043             4.47726             0.35196
     C             4.93222             5.86958             0.88804
     C             5.76467             6.10956             2.10112
     C             4.33670             2.86120             7.08459
     C             2.95179             3.37569             7.06093
     C             2.98201             4.82384             6.79737
     C             4.35266             5.30368             6.63735
     C             5.18517             4.06472             6.82108
     C             3.93916             0.02514             4.72395
     C             3.50053             0.70338             5.98691
     C             4.58806             1.47651             6.57862
     C             5.68500             1.35630             5.56691
     C             5.28809             0.42259             4.45598
     C             0.44821             2.24363             4.68141
     C             0.85485             3.18982             5.75640
     C             1.92739             2.55375             6.51437
     C             2.17768             1.21800             5.95792
     C             1.28673             1.03428             4.81109
     C             1.32747             6.33141             3.90444
     C             2.23758             6.48522             5.02753
     C             2.00231             5.42559             5.98872
     C             0.88846             4.60551             5.49984
     C             0.42089             5.17741             4.21001
     C             5.42881             6.75442             3.37883
     C             5.75238             6.19082             4.75101
     C             4.63083             6.38284             5.66371
     C             3.58132             7.00566             4.87401
     C             4.06649             7.26476             3.48538
     C             6.33764             2.82562             3.85094
     C             6.29391             2.56717             5.23828
     C             6.21020             3.88948             5.89355
     C             6.34889             4.90479             4.83928
     C             6.41802             4.23391             3.61076
     C             8.10125             3.35934             2.98587
     C             8.12591             3.52054             4.34566
     C             9.11076             3.28582             2.09231
     H             8.82162             3.11919             1.05165
     C            10.30467             3.35533             2.66490
     H            11.21255             3.21288             2.07796
     C            10.44357             3.60333             4.05229
     H            11.45670             3.70732             4.42126
     C             9.36484             3.65896             4.95646
     H             9.42666             3.84170             6.04078
           70
 Energy:   -456.1661119745008    
     C             4.09550             2.10895            -0.00978
     C             2.71753             1.71410             0.35616
     C             1.92502             2.97265             0.34389
     C             2.76433             4.11373            -0.01486
     C             4.12027             3.60432            -0.20892
     C             5.59052             0.68912             3.04948
     C             4.81885             0.39197             1.82046
     C             5.08267             1.48763             0.83535
     C             5.96557             2.42312             1.50100
     C             6.21357             1.94662             2.81782
     C             1.76104             0.44571             3.61733
     C             1.36276             0.93089             2.30192
     C             2.42924             0.66519             1.31987
     C             3.49397            -0.01688             2.09031
     C             3.09577            -0.11677             3.56735
     C             0.10975             4.20160             3.17631
     C             0.62406             4.40622             1.83059
     C             0.83272             3.11259             1.21486
     C             0.54988             2.07781             2.18056
     C             0.08247             2.76739             3.40779
     C             3.19873             6.99807             2.29887
     C             3.59318             6.32506             1.02080
     C             2.54860             5.40760             0.58406
     C             1.49976             5.49484             1.56813
     C             1.85134             6.48910             2.58150
     C             6.36019             4.74445             2.33073
     C             5.98687             3.83153             1.28381
     C             5.09232             4.47616             0.36489
     C             4.93050             5.84548             0.91664
     C             5.76490             6.02752             2.16667
     C             4.33130             2.85769             7.04401
     C             2.95854             3.36030             7.04200
     C             2.95917             4.82804             6.83269
     C             4.34325             5.24917             6.61645
     C             5.17848             4.06396             6.83633
     C             3.95395            -0.03581             4.73796
     C             3.49760             0.62409             5.97440
     C             4.59435             1.51493             6.53111
     C             5.67950             1.36643             5.57662
     C             5.32271             0.45790             4.44636
     C             0.45767             2.24710             4.68503
     C             0.84437             3.18024             5.73936
     C             1.92429             2.53875             6.51702
     C             2.19339             1.21659             5.95320
     C             1.30049             1.05838             4.79269
     C             1.33740             6.32308             3.90130
     C             2.24402             6.52616             5.04255
     C             1.96910             5.44473             6.00442
     C             0.89797             4.59806             5.51476
     C             0.46269             5.12926             4.22279
     C             5.42226             6.73510             3.40888
     C             5.73880             6.16328             4.75609
     C             4.59412             6.32788             5.67714
     C             3.54145             6.98909             4.85749
     C             4.03047             7.21448             3.48553
     C             6.38631             2.81946             3.87949
     C             6.30347             2.59556             5.24871
     C             6.24052             3.88678             5.88985
     C             6.35598             4.91290             4.86366
     C             6.47451             4.24061             3.60850
     C             8.11583             3.28456             2.96584
     C             8.18592             3.55039             4.34234
     C             9.11296             3.22016             2.06776
     H             9.00655             3.22355             0.96937
     C            10.38284             3.31241             2.70387
     H            11.26570             3.16830             2.07624
     C            10.52788             3.65617             4.02569
     H            11.50058             3.82350             4.45119
     C             9.48244             3.69518             4.87699
     H             9.63443             3.69818             5.95530
           70
 Energy:   -456.9771515436101    
     C             4.09595             2.09428             0.00720
     C             2.68961             1.72924             0.31247
     C             1.92766             2.97763             0.28375
     C             2.76340             4.14191            -0.07086
     C             4.12682             3.61749            -0.19500
     C             5.63564             0.68788             3.07775
     C             4.83941             0.39819             1.86021
     C             5.10191             1.50533             0.85513
     C             5.98580             2.44660             1.50161
     C             6.24980             1.96883             2.81784
     C             1.76569             0.48506             3.61319
     C             1.32973             0.92285             2.28824
     C             2.40737             0.69470             1.32330
     C             3.47716            -0.00307             2.09992
     C             3.08973            -0.12496             3.53009
     C             0.12075             4.21740             3.17877
     C             0.61702             4.42497             1.83032
     C             0.87372             3.15002             1.21126
     C             0.54035             2.11854             2.19696
     C             0.08754             2.76188             3.42251
     C             3.14557             6.97044             2.30733
     C             3.60035             6.36149             1.02801
     C             2.53154             5.42177             0.59112
     C             1.43915             5.52078             1.56098
     C             1.78392             6.48275             2.57845
     C             6.43039             4.70933             2.32770
     C             6.05746             3.81014             1.27428
     C             5.13311             4.47537             0.38966
     C             4.93112             5.85745             0.97051
     C             5.74719             5.98547             2.19402
     C             4.31926             2.85209             7.02423
     C             2.94239             3.36277             7.04192
     C             2.95245             4.81032             6.81477
     C             4.32781             5.24113             6.63431
     C             5.18975             4.03703             6.81027
     C             3.96231            -0.04425             4.69505
     C             3.48084             0.62445             5.97041
     C             4.53804             1.51761             6.45806
     C             5.70044             1.37590             5.57883
     C             5.30535             0.44830             4.46476
     C             0.46523             2.26417             4.69233
     C             0.86809             3.18497             5.73902
     C             1.91005             2.54698             6.52363
     C             2.17182             1.21119             5.95277
     C             1.30775             1.09107             4.79981
     C             1.32281             6.26460             3.91143
     C             2.16785             6.51770             5.07455
     C             1.92697             5.44926             6.06619
     C             0.87837             4.58415             5.50265
     C             0.54063             5.10470             4.18284
     C             5.38608             6.66835             3.40549
     C             5.72361             6.17698             4.78519
     C             4.57266             6.28975             5.64422
     C             3.53653             6.95895             4.84889
     C             4.00878             7.17276             3.43976
     C             6.41310             2.83998             3.86571
     C             6.35849             2.58466             5.27482
     C             6.26615             3.90425             5.92106
     C             6.42602             4.93706             4.86734
     C             6.50549             4.21334             3.64296
     C             8.15115             3.23817             2.93589
     C             8.29967             3.53245             4.28513
     C             9.25505             3.17200             2.05255
     H             9.19391             3.14154             0.95634
     C            10.49252             3.29365             2.63519
     H            11.40106             3.14954             2.04750
     C            10.67898             3.67803             3.99629
     H            11.69951             3.90596             4.29543
     C             9.55371             3.72596             4.90290
     H             9.75247             3.77457             5.97070
           70
 Energy:   -457.8585569264857    
     C             4.08764             2.14092             0.06526
     C             2.69560             1.73684             0.30400
     C             1.87713             2.98170             0.22288
     C             2.75061             4.13214            -0.06883
     C             4.14616             3.63732            -0.16921
     C             5.68659             0.69595             3.09602
     C             4.85218             0.43236             1.87890
     C             5.08603             1.49197             0.87442
     C             6.04352             2.40990             1.49108
     C             6.32797             1.95290             2.83302
     C             1.73309             0.46041             3.59316
     C             1.30831             0.95051             2.27977
     C             2.42138             0.73948             1.33135
     C             3.50490             0.03862             2.09208
     C             3.06506            -0.13079             3.49222
     C             0.12527             4.19620             3.17000
     C             0.57898             4.45008             1.82016
     C             0.87279             3.14685             1.21908
     C             0.53631             2.11623             2.20179
     C             0.07927             2.78585             3.41797
     C             3.10069             6.95926             2.33092
     C             3.57375             6.34065             1.06712
     C             2.51833             5.41925             0.56545
     C             1.38624             5.57630             1.49795
     C             1.75434             6.49030             2.58692
     C             6.47231             4.70505             2.36049
     C             6.17039             3.82397             1.23474
     C             5.16692             4.49056             0.40624
     C             4.92201             5.83898             0.99361
     C             5.76622             5.95579             2.18558
     C             4.29305             2.83958             7.00221
     C             2.93288             3.35711             7.05894
     C             2.93950             4.79631             6.80559
     C             4.32320             5.25923             6.62716
     C             5.15682             4.04574             6.79846
     C             3.90595            -0.00077             4.68006
     C             3.44502             0.67605             5.90751
     C             4.51954             1.53352             6.44051
     C             5.67254             1.35822             5.56568
     C             5.32061             0.42705             4.45696
     C             0.46498             2.28665             4.69589
     C             0.86480             3.19718             5.75487
     C             1.89991             2.54329             6.54218
     C             2.13607             1.21335             5.98001
     C             1.29373             1.08819             4.78742
     C             1.33301             6.25555             3.91832
     C             2.15138             6.51403             5.10095
     C             1.86787             5.44605             6.10088
     C             0.86284             4.58547             5.49955
     C             0.54237             5.06152             4.18867
     C             5.33964             6.60262             3.39523
     C             5.74312             6.15538             4.75421
     C             4.55017             6.28160             5.63673
     C             3.46891             6.90609             4.84072
     C             3.97387             7.12857             3.46685
     C             6.52892             2.83769             3.88540
     C             6.41769             2.56119             5.27398
     C             6.31004             3.89458             5.93304
     C             6.49060             4.94958             4.89392
     C             6.64097             4.23382             3.63398
     C             8.24993             3.22016             2.89219
     C             8.41045             3.50280             4.23158
     C             9.37385             3.13484             2.04513
     H             9.17155             2.89597             1.00095
     C            10.64072             3.31511             2.62550
     H            11.49534             3.17213             1.96598
     C            10.75840             3.67129             3.96831
     H            11.72674             3.93502             4.39689
     C             9.68816             3.73328             4.84203
     H             9.68439             3.98726             5.89589
           70
 Energy:   -458.5475473134237    
     C             4.10118             2.19029             0.12625
     C             2.69789             1.77291             0.32479
     C             1.84909             2.96762             0.21759
     C             2.75217             4.14002            -0.04053
     C             4.13343             3.64299            -0.10785
     C             5.70018             0.68196             3.07399
     C             4.86113             0.46283             1.89431
     C             5.10984             1.54056             0.91154
     C             6.14799             2.40544             1.47548
     C             6.42886             1.92792             2.82459
     C             1.67415             0.40619             3.57826
     C             1.34290             0.95496             2.26957
     C             2.45321             0.77515             1.33601
     C             3.50459             0.08763             2.09776
     C             3.03718            -0.11312             3.50078
     C             0.10761             4.22194             3.15936
     C             0.55431             4.44584             1.77698
     C             0.81879             3.14496             1.19046
     C             0.52285             2.12501             2.18859
     C             0.07516             2.77488             3.40507
     C             3.10565             6.94891             2.34288
     C             3.56782             6.26398             1.10596
     C             2.48704             5.43523             0.55095
     C             1.32983             5.60176             1.45490
     C             1.72587             6.49984             2.56577
     C             6.53152             4.72887             2.32372
     C             6.23448             3.81091             1.21462
     C             5.18591             4.47811             0.39325
     C             4.90652             5.80036             1.00786
     C             5.76658             5.95085             2.19931
     C             4.29368             2.86885             6.99268
     C             2.91938             3.35265             7.06907
     C             2.90707             4.81972             6.82453
     C             4.29262             5.24202             6.60197
     C             5.16589             4.04214             6.76879
     C             3.88548             0.05773             4.63761
     C             3.42372             0.74316             5.86694
     C             4.52034             1.54422             6.42668
     C             5.67487             1.37018             5.54489
     C             5.29173             0.41886             4.44540
     C             0.45566             2.29257             4.67889
     C             0.83090             3.18271             5.77190
     C             1.86105             2.53754             6.57121
     C             2.09139             1.21526             5.96936
     C             1.25033             1.07331             4.78082
     C             1.30160             6.24690             3.92620
     C             2.13028             6.48879             5.11253
     C             1.85403             5.44980             6.10047
     C             0.83443             4.57601             5.54418
     C             0.50207             5.07773             4.20963
     C             5.31558             6.58355             3.39424
     C             5.70966             6.11610             4.74423
     C             4.57188             6.28285             5.63291
     C             3.49026             6.87126             4.86310
     C             3.93163             7.06938             3.49253
     C             6.69546             2.80469             3.88447
     C             6.43890             2.54350             5.28473
     C             6.30041             3.87686             5.94234
     C             6.53889             4.93293             4.90182
     C             6.80709             4.24395             3.65364
     C             8.38698             3.22776             2.86084
     C             8.56808             3.46483             4.21708
     C             9.48676             3.08896             2.02546
     H             9.40697             2.71215             1.01564
     C            10.73411             3.34020             2.60704
     H            11.67035             3.28255             2.05683
     C            10.86650             3.66191             3.95513
     H            11.88090             3.86498             4.33097
     C             9.75162             3.74608             4.76282
     H             9.85568             4.13818             5.75908
           70
 Energy:   -458.9967357178878    
     C             4.11143             2.21207             0.18710
     C             2.73182             1.79441             0.37011
     C             1.87605             2.99724             0.24975
     C             2.72647             4.15308            -0.00620
     C             4.11121             3.65743            -0.04834
     C             5.72562             0.69588             3.07478
     C             4.85452             0.50938             1.89037
     C             5.16345             1.60407             0.93837
     C             6.25091             2.42008             1.47929
     C             6.54895             1.87776             2.81097
     C             1.63284             0.38380             3.58206
     C             1.32227             0.96963             2.25026
     C             2.46595             0.79614             1.35923
     C             3.50568             0.11967             2.13714
     C             3.02125            -0.09713             3.49624
     C             0.08225             4.23459             3.14173
     C             0.51449             4.45471             1.75598
     C             0.75243             3.13604             1.12871
     C             0.52028             2.11270             2.15798
     C             0.07504             2.79396             3.38363
     C             3.08773             6.88154             2.33438
     C             3.56931             6.21660             1.12492
     C             2.45160             5.44070             0.56530
     C             1.29929             5.60405             1.45545
     C             1.67954             6.50478             2.56126
     C             6.63532             4.72644             2.32552
     C             6.25276             3.82376             1.21532
     C             5.21514             4.44611             0.40864
     C             4.90830             5.74695             1.03216
     C             5.75526             5.93756             2.19946
     C             4.29086             2.87270             6.99163
     C             2.88532             3.36769             7.07309
     C             2.90366             4.81768             6.85475
     C             4.29102             5.21982             6.59200
     C             5.13779             4.04456             6.74501
     C             3.87782             0.11502             4.63019
     C             3.42467             0.77754             5.84945
     C             4.51882             1.58354             6.40481
     C             5.68099             1.37888             5.51925
     C             5.27869             0.47143             4.40860
     C             0.42646             2.28141             4.66523
     C             0.77136             3.16884             5.77884
     C             1.81565             2.52490             6.58254
     C             2.08131             1.21661             5.94282
     C             1.19466             1.05148             4.77473
     C             1.27094             6.26286             3.91830
     C             2.15047             6.47521             5.08764
     C             1.85368             5.43632             6.10206
     C             0.78261             4.58741             5.56175
     C             0.42679             5.09567             4.22898
     C             5.31656             6.57114             3.41709
     C             5.71715             6.05430             4.74523
     C             4.58918             6.24148             5.66341
     C             3.49158             6.86528             4.89642
     C             3.94112             7.03074             3.48894
     C             6.81507             2.76565             3.86592
     C             6.46857             2.55497             5.26165
     C             6.28239             3.86968             5.89010
     C             6.54712             4.91504             4.87801
     C             6.92055             4.22817             3.61998
     C             8.50282             3.22835             2.82552
     C             8.69880             3.41622             4.18520
     C             9.63547             3.03983             1.99290
     H             9.59167             2.66094             0.98003
     C            10.84150             3.35643             2.57778
     H            11.68759             3.31557             1.89263
     C            11.00059             3.65839             3.92399
     H            12.00148             3.81535             4.35030
     C             9.91822             3.80576             4.78605
     H            10.02665             4.17502             5.81287
           70
 Energy:   -459.2064649260701    
     C             4.13466             2.24819             0.23543
     C             2.74905             1.81401             0.43707
     C             1.88205             2.99403             0.29427
     C             2.73437             4.15884             0.02362
     C             4.12316             3.68267            -0.02014
     C             5.76519             0.72446             3.05322
     C             4.87157             0.58118             1.92129
     C             5.19702             1.62207             0.94549
     C             6.31059             2.40811             1.49093
     C             6.67340             1.84364             2.79178
     C             1.62045             0.40103             3.56652
     C             1.27804             0.94371             2.25942
     C             2.44734             0.80095             1.39391
     C             3.52453             0.16192             2.14261
     C             3.00727            -0.08291             3.51933
     C             0.05327             4.22838             3.13697
     C             0.44471             4.46317             1.74183
     C             0.71564             3.15531             1.09976
     C             0.47534             2.13863             2.13071
     C             0.07926             2.80096             3.36113
     C             3.08230             6.82254             2.38193
     C             3.54567             6.19068             1.12574
     C             2.43653             5.42753             0.58489
     C             1.27457             5.59809             1.47363
     C             1.66754             6.49342             2.57430
     C             6.67625             4.75430             2.30967
     C             6.32017             3.81928             1.24571
     C             5.21149             4.44034             0.46807
     C             4.89950             5.71903             1.06486
     C             5.81018             5.89020             2.23543
     C             4.23315             2.86639             6.99389
     C             2.85956             3.33833             7.08011
     C             2.89542             4.80927             6.85162
     C             4.28553             5.20438             6.63796
     C             5.13286             4.01120             6.70417
     C             3.88091             0.14790             4.61588
     C             3.42641             0.79363             5.84493
     C             4.52489             1.60711             6.37142
     C             5.67721             1.42946             5.50135
     C             5.27828             0.55110             4.39611
     C             0.36130             2.27854             4.65363
     C             0.70951             3.17913             5.77259
     C             1.78879             2.53374             6.55867
     C             2.07408             1.22820             5.93331
     C             1.16818             1.04052             4.77900
     C             1.23545             6.27637             3.93188
     C             2.14615             6.44232             5.08211
     C             1.84132             5.41674             6.08332
     C             0.72989             4.59423             5.55154
     C             0.36296             5.12192             4.21209
     C             5.34630             6.52048             3.41683
     C             5.72829             6.03438             4.73836
     C             4.58683             6.21483             5.65131
     C             3.50719             6.86310             4.87069
     C             3.95313             7.02172             3.49459
     C             6.95340             2.77567             3.83927
     C             6.49935             2.54229             5.20661
     C             6.24099             3.86395             5.82668
     C             6.56054             4.86455             4.81266
     C             7.00101             4.18480             3.59805
     C             8.61453             3.19108             2.82766
     C             8.84042             3.42430             4.18105
     C             9.73559             3.01726             1.97449
     H             9.61106             2.68233             0.94852
     C            11.00126             3.35172             2.53472
     H            11.92993             3.38200             1.94485
     C            11.16278             3.68688             3.90770
     H            12.19339             3.81085             4.26889
     C            10.07421             3.81706             4.75584
     H            10.09019             4.12550             5.81258
           70
 Energy:   -459.0759693432609    
     C             4.14203             2.25891             0.26467
     C             2.75625             1.84429             0.49637
     C             1.88049             2.99797             0.32036
     C             2.75342             4.13571             0.03442
     C             4.14624             3.68207            -0.01036
     C             5.82198             0.75797             3.08306
     C             4.87576             0.62397             1.95499
     C             5.21894             1.63351             0.96034
     C             6.36305             2.40470             1.46045
     C             6.76298             1.84531             2.76966
     C             1.61666             0.42314             3.59470
     C             1.23197             0.94429             2.25027
     C             2.42390             0.80657             1.39635
     C             3.52123             0.20515             2.17385
     C             3.01743            -0.05249             3.50752
     C             0.00918             4.24021             3.13082
     C             0.38597             4.48805             1.73118
     C             0.70269             3.17592             1.12591
     C             0.43601             2.11596             2.12481
     C             0.04531             2.78991             3.36621
     C             3.09279             6.80512             2.40975
     C             3.55002             6.19224             1.18405
     C             2.42294             5.40848             0.60657
     C             1.25609             5.59360             1.48353
     C             1.68451             6.45646             2.61648
     C             6.73318             4.71117             2.32111
     C             6.36152             3.81316             1.23723
     C             5.22925             4.42933             0.53319
     C             4.90977             5.73635             1.14792
     C             5.82828             5.89783             2.23443
     C             4.22531             2.84510             6.97550
     C             2.82650             3.33901             7.07056
     C             2.85025             4.77845             6.83461
     C             4.28404             5.21866             6.64441
     C             5.09737             3.96787             6.68069
     C             3.90727             0.16552             4.60786
     C             3.41763             0.80477             5.83699
     C             4.50985             1.61292             6.36597
     C             5.65994             1.48125             5.45762
     C             5.27753             0.59499             4.37308
     C             0.31248             2.26092             4.66230
     C             0.67289             3.18178             5.75297
     C             1.75712             2.56143             6.51261
     C             2.05408             1.25011             5.92245
     C             1.15347             1.07044             4.77337
     C             1.19984             6.27885             3.94125
     C             2.14162             6.42649             5.06877
     C             1.81727             5.37869             6.05145
     C             0.68877             4.59857             5.52181
     C             0.33122             5.13813             4.20260
     C             5.34555             6.50382             3.41477
     C             5.74055             6.00554             4.72912
     C             4.58128             6.19581             5.63018
     C             3.49615             6.81713             4.85848
     C             4.00453             7.00550             3.48317
     C             7.08599             2.72696             3.84304
     C             6.54032             2.54925             5.17450
     C             6.20867             3.81735             5.75304
     C             6.55099             4.85729             4.77241
     C             7.08170             4.20250             3.57459
     C             8.80547             3.14189             2.84657
     C             8.93106             3.47061             4.16568
     C             9.89607             3.04050             1.98258
     H             9.70568             2.73596             0.95594
     C            11.13192             3.34026             2.51819
     H            11.97214             3.28493             1.81021
     C            11.32397             3.71336             3.85134
     H            12.31963             3.92897             4.24941
     C            10.20427             3.78004             4.68848
     H            10.29797             4.08905             5.73933
           70
 Energy:   -458.8319329181143    
     C             4.13807             2.23151             0.28128
     C             2.75072             1.85617             0.50679
     C             1.88603             3.02771             0.34909
     C             2.75577             4.16071             0.03454
     C             4.16357             3.66937             0.01302
     C             5.84034             0.78012             3.07485
     C             4.88861             0.63443             1.99427
     C             5.22072             1.64350             0.98484
     C             6.41565             2.39354             1.42050
     C             6.80769             1.85437             2.75118
     C             1.62121             0.43576             3.58953
     C             1.23460             0.93073             2.25963
     C             2.42332             0.81136             1.40151
     C             3.51209             0.25471             2.17667
     C             3.01623             0.00115             3.52742
     C            -0.06133             4.24369             3.13766
     C             0.37002             4.48944             1.74840
     C             0.70989             3.15995             1.15636
     C             0.40093             2.12126             2.15296
     C            -0.04932             2.79419             3.37867
     C             3.08131             6.82545             2.43059
     C             3.57246             6.16054             1.22707
     C             2.46900             5.41081             0.64282
     C             1.26699             5.60061             1.50331
     C             1.70143             6.42792             2.62367
     C             6.76670             4.72858             2.29924
     C             6.36905             3.81931             1.21449
     C             5.22158             4.44581             0.54398
     C             4.92036             5.69960             1.16906
     C             5.89489             5.89915             2.27045
     C             4.19397             2.85178             6.96599
     C             2.82485             3.33279             7.03642
     C             2.84534             4.79042             6.81114
     C             4.24028             5.17462             6.59954
     C             5.09106             3.98677             6.63512
     C             3.90075             0.16587             4.60290
     C             3.39197             0.79974             5.81340
     C             4.50477             1.59115             6.35332
     C             5.63372             1.49325             5.43577
     C             5.28802             0.59424             4.37880
     C             0.27933             2.26339             4.66236
     C             0.64145             3.18644             5.72240
     C             1.74436             2.58206             6.49733
     C             2.04907             1.27992             5.89584
     C             1.14484             1.08950             4.77087
     C             1.19165             6.27620             3.93832
     C             2.11976             6.40654             5.05542
     C             1.79014             5.35765             6.02071
     C             0.66472             4.57834             5.49707
     C             0.29815             5.13061             4.20021
     C             5.38522             6.53085             3.43096
     C             5.71585             5.99647             4.72045
     C             4.58614             6.16683             5.63287
     C             3.49644             6.75858             4.84240
     C             3.98196             6.99282             3.50168
     C             7.22767             2.74543             3.82536
     C             6.56970             2.51714             5.17064
     C             6.17067             3.82601             5.72719
     C             6.54469             4.83509             4.78734
     C             7.17486             4.18801             3.60433
     C             8.95347             3.08112             2.85762
     C             9.04738             3.52811             4.16152
     C            10.05262             3.06123             1.97192
     H             9.96994             2.80692             0.91194
     C            11.31027             3.33158             2.47365
     H            12.22427             3.22875             1.87193
     C            11.43754             3.72399             3.78233
     H            12.39810             4.05816             4.15051
     C            10.36073             3.75803             4.65715
     H            10.54482             4.03568             5.69899
           70
 Energy:   -458.5831172369633    
     C             4.12797             2.23490             0.28315
     C             2.71917             1.84589             0.46686
     C             1.89606             3.04357             0.37406
     C             2.78057             4.17573             0.04981
     C             4.13560             3.66295             0.01922
     C             5.83382             0.79130             3.09610
     C             4.89583             0.65198             1.98427
     C             5.21832             1.62908             0.98710
     C             6.41467             2.40068             1.41026
     C             6.83327             1.86874             2.74641
     C             1.61091             0.44853             3.58095
     C             1.23406             0.96071             2.27272
     C             2.41945             0.83634             1.40601
     C             3.53874             0.27643             2.19002
     C             3.00547             0.03910             3.51334
     C            -0.14688             4.24447             3.13795
     C             0.41562             4.46838             1.77750
     C             0.72265             3.16320             1.19273
     C             0.39877             2.11216             2.19149
     C            -0.16449             2.78927             3.37747
     C             3.09322             6.83214             2.42044
     C             3.60939             6.14956             1.26108
     C             2.49508             5.41953             0.67340
     C             1.31141             5.56132             1.51308
     C             1.67994             6.46413             2.61414
     C             6.83385             4.72773             2.32475
     C             6.38958             3.82667             1.21598
     C             5.23691             4.42039             0.51195
     C             4.95426             5.69720             1.19692
     C             5.90315             5.90560             2.26973
     C             4.21256             2.85003             6.93381
     C             2.81152             3.35610             7.00884
     C             2.83322             4.77859             6.77171
     C             4.22278             5.15610             6.52796
     C             5.05009             3.97445             6.61099
     C             3.89512             0.15030             4.60271
     C             3.39386             0.79907             5.81192
     C             4.47866             1.60187             6.34972
     C             5.66076             1.45665             5.46129
     C             5.28778             0.54575             4.38105
     C             0.24752             2.26700             4.64271
     C             0.63598             3.17319             5.73818
     C             1.73341             2.57822             6.48637
     C             2.05333             1.29883             5.86878
     C             1.12555             1.08743             4.74248
     C             1.17921             6.24188             3.91785
     C             2.10976             6.38003             5.05098
     C             1.77841             5.35952             6.02818
     C             0.65884             4.58077             5.49154
     C             0.26714             5.13677             4.18594
     C             5.39501             6.58834             3.44145
     C             5.73967             5.98496             4.75811
     C             4.55350             6.14186             5.61205
     C             3.47224             6.72159             4.86615
     C             3.97969             6.99584             3.51951
     C             7.27279             2.73610             3.84316
     C             6.57684             2.52774             5.17230
     C             6.19441             3.79886             5.73696
     C             6.56417             4.83869             4.77329
     C             7.21980             4.24579             3.60512
     C             9.08851             3.04158             2.85141
     C             9.23185             3.55456             4.13475
     C            10.20582             3.04735             1.92083
     H            10.01238             2.84626             0.85374
     C            11.49703             3.32038             2.41428
     H            12.42051             3.23834             1.83471
     C            11.57277             3.74874             3.75401
     H            12.53606             4.08271             4.10293
     C            10.51449             3.77772             4.67058
     H            10.64110             3.94927             5.73843
           70
 Energy:   -458.6809733681678    
     C             4.11206             2.23573             0.25647
     C             2.72045             1.83663             0.42053
     C             1.87836             3.04261             0.36662
     C             2.77036             4.14890             0.09056
     C             4.16801             3.67595             0.01070
     C             5.83196             0.79810             3.09552
     C             4.89954             0.65150             1.97790
     C             5.22056             1.65529             0.94116
     C             6.37860             2.40825             1.45254
     C             6.80607             1.86967             2.78028
     C             1.60853             0.45123             3.56437
     C             1.24686             0.99974             2.26755
     C             2.41970             0.85780             1.40484
     C             3.52019             0.29303             2.17468
     C             3.01284             0.02102             3.51091
     C            -0.19663             4.25378             3.11694
     C             0.46104             4.45520             1.82419
     C             0.76494             3.16014             1.24159
     C             0.38000             2.13738             2.18094
     C            -0.23054             2.76333             3.37285
     C             3.11060             6.85323             2.44235
     C             3.62406             6.16496             1.25841
     C             2.52627             5.40134             0.67142
     C             1.34593             5.53461             1.54160
     C             1.67811             6.51155             2.58011
     C             6.83327             4.75952             2.30989
     C             6.43249             3.81599             1.23162
     C             5.28356             4.43048             0.53318
     C             4.96800             5.69459             1.16802
     C             5.90306             5.91557             2.28978
     C             4.17061             2.85317             6.91476
     C             2.80930             3.32408             7.00432
     C             2.82876             4.76177             6.73969
     C             4.21675             5.12856             6.51727
     C             5.08408             3.95273             6.56924
     C             3.88700             0.12983             4.61718
     C             3.39746             0.80403             5.80988
     C             4.51060             1.59877             6.33645
     C             5.70416             1.40127             5.49749
     C             5.30739             0.50617             4.41046
     C             0.21394             2.26795             4.66401
     C             0.61842             3.17996             5.73979
     C             1.74089             2.55496             6.47653
     C             2.04624             1.27531             5.83866
     C             1.10944             1.10019             4.73520
     C             1.18049             6.23215             3.90172
     C             2.09058             6.36742             5.02917
     C             1.74645             5.37437             6.03310
     C             0.63556             4.57719             5.50981
     C             0.24240             5.11651             4.19291
     C             5.41029             6.58439             3.45832
     C             5.74621             6.04221             4.75153
     C             4.55016             6.13404             5.58375
     C             3.45959             6.74876             4.83642
     C             3.98768             7.02981             3.52831
     C             7.19829             2.75556             3.85800
     C             6.57277             2.49811             5.17776
     C             6.23413             3.81343             5.74956
     C             6.59002             4.86546             4.81633
     C             7.23210             4.22474             3.62491
     C             9.29773             3.04642             2.80924
     C             9.41362             3.53109             4.08564
     C            10.34331             3.00909             1.88865
     H            10.10666             2.83045             0.83141
     C            11.59295             3.32898             2.40983
     H            12.40987             3.27880             1.70965
     C            11.75804             3.76904             3.74569
     H            12.74995             4.02504             4.09825
     C            10.68394             3.81445             4.64942
     H            10.78478             3.94141             5.71884
           70
 Energy:   -458.8788919159401    
     C             4.15601             2.23579             0.18942
     C             2.73119             1.83456             0.39746
     C             1.88828             3.00054             0.33971
     C             2.80237             4.14449             0.09282
     C             4.19513             3.68122             0.01726
     C             5.80304             0.75973             3.09935
     C             4.87124             0.64816             1.95275
     C             5.21963             1.65111             0.96563
     C             6.37613             2.42724             1.50319
     C             6.70462             1.87543             2.80783
     C             1.60865             0.45981             3.56428
     C             1.25411             1.01262             2.25623
     C             2.42138             0.87763             1.38011
     C             3.51383             0.28758             2.15625
     C             3.00459            -0.02121             3.50606
     C            -0.18056             4.23448             3.14730
     C             0.48891             4.46780             1.84082
     C             0.80049             3.18490             1.25692
     C             0.36730             2.12100             2.16851
     C            -0.22864             2.77017             3.37633
     C             3.11267             6.89130             2.40493
     C             3.62788             6.19210             1.22553
     C             2.52677             5.39093             0.70437
     C             1.36609             5.56190             1.54646
     C             1.70318             6.50585             2.59880
     C             6.82247             4.76119             2.35058
     C             6.43530             3.84391             1.25680
     C             5.29311             4.43035             0.53591
     C             4.98328             5.72825             1.16359
     C             5.89990             5.91655             2.27923
     C             4.21474             2.81913             6.88794
     C             2.80394             3.30538             6.99331
     C             2.81913             4.73895             6.74080
     C             4.23667             5.13153             6.50882
     C             5.06413             3.94590             6.58516
     C             3.91631             0.11147             4.61100
     C             3.40835             0.80460             5.79767
     C             4.51985             1.56567             6.35444
     C             5.72560             1.37086             5.51650
     C             5.33585             0.47516             4.41522
     C             0.17918             2.25932             4.67031
     C             0.61287             3.16513             5.74903
     C             1.72475             2.53330             6.46326
     C             2.03835             1.25549             5.83962
     C             1.10370             1.09158             4.72031
     C             1.16143             6.23531             3.88001
     C             2.09758             6.39004             5.01122
     C             1.74304             5.37559             6.02491
     C             0.59398             4.58761             5.52858
     C             0.23678             5.11070             4.19856
     C             5.38903             6.58207             3.43022
     C             5.76648             6.05000             4.75768
     C             4.54826             6.15283             5.59783
     C             3.47061             6.78325             4.83032
     C             4.01718             7.07694             3.49274
     C             7.08184             2.75729             3.84817
     C             6.57379             2.50653             5.20106
     C             6.24992             3.81269             5.78781
     C             6.63698             4.90933             4.84321
     C             7.16134             4.22097             3.62985
     C             9.43179             3.06079             2.77458
     C             9.59391             3.49345             4.06859
     C            10.49270             2.97873             1.86760
     H            10.43852             2.70405             0.81384
     C            11.70437             3.36795             2.40795
     H            12.58489             3.38117             1.79463
     C            11.93729             3.75807             3.72386
     H            12.96708             3.95910             4.02139
     C            10.85969             3.84048             4.58423
     H            10.99280             4.09041             5.62436
           70
 Energy:   -458.9646482000197    
     C             4.20385             2.21431             0.16078
     C             2.79495             1.81152             0.36866
     C             1.94090             3.03911             0.31909
     C             2.82331             4.15662             0.07955
     C             4.19639             3.67490             0.00701
     C             5.75718             0.71521             3.07108
     C             4.85026             0.61928             1.95971
     C             5.22545             1.65918             0.97960
     C             6.33592             2.43912             1.50824
     C             6.61335             1.87746             2.83566
     C             1.61955             0.45046             3.54736
     C             1.25325             0.98297             2.24794
     C             2.43270             0.85877             1.38119
     C             3.49538             0.23926             2.14977
     C             3.01139            -0.03847             3.48467
     C            -0.09363             4.23058             3.16158
     C             0.49269             4.48689             1.84622
     C             0.80640             3.18275             1.21343
     C             0.39028             2.13053             2.16638
     C            -0.17299             2.76942             3.37266
     C             3.12782             6.94445             2.35755
     C             3.63220             6.22075             1.19046
     C             2.53514             5.38239             0.70225
     C             1.34767             5.58415             1.54891
     C             1.73152             6.48558             2.61432
     C             6.77094             4.76288             2.36656
     C             6.39753             3.84550             1.28420
     C             5.27989             4.46382             0.53329
     C             4.98405             5.74888             1.14295
     C             5.90225             5.93613             2.26717
     C             4.21500             2.81163             6.90639
     C             2.83253             3.27745             6.96593
     C             2.83101             4.74694             6.74200
     C             4.20580             5.14260             6.51840
     C             5.07246             3.96235             6.61855
     C             3.91178             0.09501             4.57882
     C             3.40811             0.77122             5.77306
     C             4.52937             1.51476             6.36863
     C             5.72805             1.37415             5.50920
     C             5.33414             0.44759             4.41350
     C             0.18796             2.23186             4.65909
     C             0.58938             3.15914             5.75142
     C             1.72592             2.53038             6.47602
     C             2.04032             1.24654             5.84167
     C             1.09735             1.06946             4.72538
     C             1.17217             6.24519             3.91351
     C             2.10681             6.40195             5.02232
     C             1.77465             5.36865             6.01569
     C             0.60154             4.59344             5.53937
     C             0.24102             5.14203             4.21540
     C             5.40120             6.58344             3.42670
     C             5.75611             6.04529             4.75050
     C             4.57009             6.19260             5.60857
     C             3.48631             6.81769             4.82576
     C             3.99941             7.09837             3.47783
     C             6.99023             2.77852             3.86863
     C             6.54284             2.52736             5.23715
     C             6.25564             3.83967             5.84420
     C             6.64171             4.88729             4.88115
     C             7.06550             4.22303             3.65688
     C             9.50171             3.06204             2.73817
     C             9.76156             3.45633             4.05678
     C            10.65807             2.97473             1.87075
     H            10.58810             2.52510             0.88646
     C            11.90903             3.40335             2.35777
     H            12.73010             3.39245             1.64706
     C            12.09554             3.74088             3.68875
     H            13.09119             3.97390             4.08085
     C            11.02637             3.86240             4.55710
     H            11.13559             4.30197             5.54346
           70
 Energy:   -459.1668751603052    
     C             4.20203             2.22876             0.16522
     C             2.79886             1.81262             0.37818
     C             1.97268             3.02296             0.32785
     C             2.85335             4.16915             0.06399
     C             4.23364             3.68144            -0.02974
     C             5.75480             0.71460             3.08163
     C             4.84412             0.58666             1.91781
     C             5.20292             1.61071             0.95829
     C             6.27186             2.42521             1.53518
     C             6.58691             1.89796             2.85737
     C             1.61919             0.41556             3.55449
     C             1.25682             0.96626             2.22096
     C             2.44518             0.82719             1.34584
     C             3.50021             0.17570             2.12030
     C             2.99817            -0.04574             3.47329
     C            -0.00867             4.23795             3.17007
     C             0.50456             4.46525             1.80230
     C             0.80626             3.18363             1.16585
     C             0.45679             2.13725             2.13591
     C            -0.06974             2.77839             3.36212
     C             3.12174             6.96263             2.36522
     C             3.62214             6.25257             1.16407
     C             2.53271             5.41972             0.66452
     C             1.36877             5.57677             1.54133
     C             1.74253             6.51198             2.62083
     C             6.70118             4.75616             2.37657
     C             6.32298             3.83734             1.28960
     C             5.26470             4.47044             0.51880
     C             4.97175             5.78346             1.11291
     C             5.88623             5.97860             2.25074
     C             4.21761             2.80100             6.93265
     C             2.83109             3.30364             6.95174
     C             2.84308             4.71964             6.73856
     C             4.22796             5.17580             6.53271
     C             5.07627             3.99331             6.67684
     C             3.88858             0.08283             4.57319
     C             3.39149             0.73563             5.77629
     C             4.51104             1.51953             6.37121
     C             5.68631             1.36162             5.49142
     C             5.30030             0.44078             4.39574
     C             0.23247             2.22066             4.65740
     C             0.59102             3.15823             5.75007
     C             1.73807             2.52308             6.47418
     C             2.04831             1.23450             5.83803
     C             1.12041             1.03670             4.73243
     C             1.22882             6.28104             3.93232
     C             2.14153             6.40040             5.06823
     C             1.79894             5.35684             6.02700
     C             0.65426             4.58373             5.53681
     C             0.27556             5.16514             4.23104
     C             5.40147             6.60385             3.44546
     C             5.74418             6.03585             4.75356
     C             4.55993             6.20627             5.61555
     C             3.47643             6.83924             4.83359
     C             4.01567             7.09151             3.48631
     C             6.92601             2.78214             3.90477
     C             6.48916             2.53852             5.27305
     C             6.26611             3.85002             5.90256
     C             6.55284             4.89665             4.91266
     C             7.00042             4.22069             3.67314
     C             9.68789             3.07826             2.73337
     C             9.89706             3.42609             4.03172
     C            10.79401             2.97501             1.88395
     H            10.64237             2.45679             0.95138
     C            12.07519             3.39486             2.28879
     H            12.95262             3.43525             1.62094
     C            12.26296             3.75344             3.65324
     H            13.28098             3.99256             4.00604
     C            11.15152             3.87069             4.52336
     H            11.22625             4.38618             5.48571
           70
 Energy:   -459.2161780746224    
     C             4.16940             2.22882             0.17354
     C             2.78751             1.83761             0.40769
     C             1.96725             3.02333             0.33132
     C             2.85017             4.17343             0.04969
     C             4.22321             3.67912            -0.07351
     C             5.74491             0.72562             3.07586
     C             4.87910             0.51611             1.90845
     C             5.19589             1.57687             0.92718
     C             6.22011             2.43399             1.54385
     C             6.57612             1.90171             2.85312
     C             1.60024             0.39498             3.51709
     C             1.29254             0.94474             2.20253
     C             2.44051             0.77555             1.30740
     C             3.50531             0.13117             2.09010
     C             2.99898            -0.08403             3.46039
     C             0.04883             4.24141             3.13647
     C             0.53989             4.47935             1.76330
     C             0.82292             3.17409             1.14231
     C             0.50729             2.13822             2.11778
     C             0.05450             2.78634             3.35274
     C             3.13973             6.93795             2.39433
     C             3.60937             6.30801             1.16348
     C             2.53701             5.45704             0.61498
     C             1.40219             5.57771             1.53882
     C             1.73517             6.53379             2.60526
     C             6.63961             4.74274             2.39595
     C             6.25944             3.82713             1.32370
     C             5.25937             4.49774             0.49425
     C             4.96321             5.82205             1.08181
     C             5.85648             5.99354             2.24645
     C             4.21700             2.82975             6.94612
     C             2.82866             3.29102             6.96900
     C             2.87408             4.74495             6.73708
     C             4.24345             5.17305             6.57994
     C             5.08946             3.98641             6.76559
     C             3.86164             0.06767             4.58962
     C             3.38312             0.73210             5.81917
     C             4.45668             1.53645             6.35434
     C             5.62263             1.37097             5.49819
     C             5.25669             0.46455             4.39646
     C             0.28869             2.22983             4.63903
     C             0.65952             3.14224             5.74448
     C             1.75331             2.51384             6.45926
     C             2.05179             1.22155             5.85888
     C             1.13719             1.03132             4.72872
     C             1.25486             6.29727             3.94829
     C             2.15937             6.41317             5.09325
     C             1.81418             5.35676             6.05123
     C             0.69760             4.57586             5.51725
     C             0.36753             5.15439             4.20279
     C             5.39437             6.62441             3.44306
     C             5.69366             6.07836             4.77796
     C             4.53670             6.20490             5.62675
     C             3.50229             6.83851             4.85890
     C             4.00766             7.09435             3.50308
     C             6.90388             2.78352             3.92876
     C             6.44742             2.51956             5.28858
     C             6.23563             3.83773             5.93559
     C             6.49597             4.88090             4.89880
     C             6.93871             4.22850             3.69351
     C             9.88826             3.08585             2.73625
     C            10.02806             3.43175             4.06300
     C            10.96863             2.95594             1.82326
     H            10.84337             2.54089             0.82843
     C            12.18868             3.37598             2.29835
     H            13.02832             3.36873             1.58050
     C            12.37595             3.78026             3.59600
     H            13.38945             4.03786             3.92874
     C            11.30378             3.87494             4.46200
     H            11.38977             4.30567             5.46615
           70
 Energy:   -459.0928239119929    
     C             4.16885             2.20888             0.17580
     C             2.77475             1.82916             0.42597
     C             1.96195             3.06273             0.30429
     C             2.80493             4.19806             0.01991
     C             4.18679             3.68957            -0.07974
     C             5.72412             0.70645             3.09253
     C             4.90117             0.46487             1.88952
     C             5.19834             1.56771             0.93008
     C             6.20275             2.43791             1.52683
     C             6.54715             1.89720             2.84230
     C             1.62473             0.38537             3.50164
     C             1.29142             0.93383             2.17186
     C             2.45536             0.74243             1.29662
     C             3.52515             0.08608             2.08096
     C             2.99597            -0.13437             3.44849
     C             0.11059             4.24144             3.09029
     C             0.57000             4.48335             1.75114
     C             0.82604             3.18823             1.14416
     C             0.55006             2.13299             2.11972
     C             0.12925             2.80700             3.33275
     C             3.13214             6.92364             2.40490
     C             3.63328             6.33013             1.14037
     C             2.55967             5.48447             0.60581
     C             1.40360             5.61487             1.50526
     C             1.75333             6.52036             2.60964
     C             6.57731             4.74976             2.42280
     C             6.20913             3.85496             1.34544
     C             5.23191             4.51119             0.46337
     C             4.97119             5.84970             1.06122
     C             5.82815             5.97275             2.26367
     C             4.19406             2.81403             6.97657
     C             2.84431             3.31775             6.99598
     C             2.86445             4.74436             6.78873
     C             4.26888             5.16955             6.64100
     C             5.10793             3.97683             6.82888
     C             3.82953             0.05688             4.61408
     C             3.35303             0.71260             5.83263
     C             4.42747             1.57394             6.36779
     C             5.57697             1.40758             5.50511
     C             5.22378             0.50484             4.40583
     C             0.36353             2.25672             4.61227
     C             0.72661             3.15447             5.69559
     C             1.79413             2.50895             6.48145
     C             2.02288             1.19053             5.87845
     C             1.15690             1.02388             4.69907
     C             1.26857             6.29194             3.92943
     C             2.14152             6.45217             5.08819
     C             1.82517             5.39554             6.05081
     C             0.74546             4.55536             5.48784
     C             0.44896             5.09580             4.15362
     C             5.37217             6.64033             3.45736
     C             5.71863             6.07073             4.79066
     C             4.54313             6.18990             5.67836
     C             3.48102             6.84073             4.88743
     C             3.98190             7.11114             3.54065
     C             6.90538             2.76968             3.91060
     C             6.43832             2.51675             5.28489
     C             6.19137             3.82713             5.90881
     C             6.44856             4.88106             4.92836
     C             6.88626             4.20806             3.69193
     C            10.04709             3.05054             2.71149
     C            10.18606             3.45088             4.03836
     C            11.09526             2.94487             1.77798
     H            10.96763             2.67680             0.72776
     C            12.34319             3.33896             2.25553
     H            13.25614             3.29773             1.62618
     C            12.48906             3.82354             3.55516
     H            13.47680             4.14788             3.88885
     C            11.45909             3.89415             4.48710
     H            11.69480             4.21064             5.51698
           70
 Energy:   -458.7463350245164    
     C             4.16043             2.23700             0.17459
     C             2.76814             1.83702             0.39287
     C             1.93848             3.03096             0.26885
     C             2.80641             4.21917            -0.01993
     C             4.16855             3.69811            -0.06330
     C             5.71437             0.69470             3.09057
     C             4.89171             0.46898             1.87777
     C             5.18591             1.56404             0.93345
     C             6.20937             2.43585             1.53500
     C             6.52733             1.88499             2.84076
     C             1.64724             0.37655             3.49839
     C             1.30387             0.89944             2.17907
     C             2.47938             0.75263             1.30496
     C             3.53364             0.03879             2.07946
     C             3.01350            -0.16729             3.45650
     C             0.15879             4.22505             3.08613
     C             0.58967             4.50109             1.71900
     C             0.83926             3.19897             1.11762
     C             0.57233             2.15225             2.09613
     C             0.12918             2.81182             3.30613
     C             3.15884             6.94839             2.39618
     C             3.63988             6.33638             1.14313
     C             2.55708             5.49822             0.60038
     C             1.38570             5.65189             1.46202
     C             1.77454             6.49093             2.58714
     C             6.51916             4.74069             2.43198
     C             6.18505             3.84396             1.31722
     C             5.20571             4.51867             0.47538
     C             4.99275             5.86012             1.06212
     C             5.77470             5.99216             2.29806
     C             4.19689             2.82514             7.04949
     C             2.81426             3.32506             7.04120
     C             2.84843             4.78767             6.84820
     C             4.25702             5.19116             6.71112
     C             5.09604             3.95488             6.82378
     C             3.82801             0.05257             4.60616
     C             3.33752             0.69147             5.84532
     C             4.40053             1.54636             6.38244
     C             5.56009             1.44233             5.49172
     C             5.18664             0.52075             4.41738
     C             0.44173             2.27339             4.56395
     C             0.80145             3.16212             5.66651
     C             1.78481             2.50401             6.48446
     C             1.99592             1.15507             5.90790
     C             1.18200             1.03539             4.68772
     C             1.27650             6.25433             3.89672
     C             2.09749             6.48979             5.09315
     C             1.83085             5.40960             6.05957
     C             0.82321             4.56811             5.44594
     C             0.49568             5.07900             4.14258
     C             5.35053             6.63008             3.50267
     C             5.70950             6.06339             4.81742
     C             4.56195             6.20724             5.70620
     C             3.47921             6.85357             4.93637
     C             3.97190             7.11423             3.56396
     C             6.89487             2.75200             3.89769
     C             6.44648             2.52921             5.25663
     C             6.16589             3.80438             5.89872
     C             6.46418             4.83562             4.91051
     C             6.86945             4.20051             3.69690
     C            10.17458             2.99618             2.70542
     C            10.37176             3.47943             3.97164
     C            11.23673             2.96508             1.75792
     H            10.99665             2.70631             0.71740
     C            12.51364             3.30849             2.21178
     H            13.40170             3.19064             1.56737
     C            12.64249             3.86925             3.52511
     H            13.61556             4.26670             3.78996
     C            11.60533             3.89083             4.50243
     H            11.78620             4.15419             5.55683
           70
 Energy:   -458.6484974275830    
     C             4.15346             2.26769             0.18601
     C             2.78084             1.81782             0.35298
     C             1.94672             3.03422             0.18664
     C             2.79382             4.19302            -0.03006
     C             4.18478             3.71715            -0.05403
     C             5.70033             0.70647             3.07473
     C             4.86793             0.49245             1.90044
     C             5.15928             1.59960             0.92165
     C             6.20173             2.41378             1.53237
     C             6.54523             1.86772             2.84761
     C             1.65116             0.35441             3.51584
     C             1.33022             0.93885             2.18774
     C             2.49580             0.77292             1.30886
     C             3.52282             0.04136             2.06785
     C             3.01806            -0.17304             3.45307
     C             0.16044             4.24131             3.06821
     C             0.57648             4.50415             1.70027
     C             0.84118             3.18599             1.07403
     C             0.56920             2.12179             2.05641
     C             0.11099             2.78359             3.26886
     C             3.16647             6.96137             2.39725
     C             3.63131             6.33561             1.13944
     C             2.55231             5.49989             0.55083
     C             1.39328             5.65368             1.43262
     C             1.78231             6.51357             2.56436
     C             6.50088             4.71391             2.42478
     C             6.19809             3.83182             1.31792
     C             5.20705             4.52712             0.50977
     C             4.95365             5.86514             1.08888
     C             5.76550             5.97224             2.31716
     C             4.16016             2.79448             7.08264
     C             2.78304             3.31958             7.11590
     C             2.83432             4.81730             6.90642
     C             4.24793             5.21739             6.73278
     C             5.05101             3.97855             6.78900
     C             3.83796             0.05450             4.61764
     C             3.34260             0.66282             5.86270
     C             4.41227             1.54694             6.42338
     C             5.52830             1.42725             5.47997
     C             5.20573             0.51785             4.38352
     C             0.48708             2.29189             4.53522
     C             0.83545             3.16812             5.61457
     C             1.77423             2.48906             6.50067
     C             2.00119             1.14565             5.93168
     C             1.21363             1.03517             4.69547
     C             1.32141             6.26692             3.88847
     C             2.12075             6.51109             5.11830
     C             1.82973             5.43331             6.07096
     C             0.87112             4.54541             5.43751
     C             0.50343             5.08480             4.14615
     C             5.34198             6.59939             3.54090
     C             5.69206             6.02836             4.84701
     C             4.54307             6.22086             5.76150
     C             3.47735             6.89144             4.95713
     C             3.97343             7.10592             3.59315
     C             6.88886             2.76233             3.89161
     C             6.42484             2.49366             5.25553
     C             6.17281             3.79694             5.89643
     C             6.46617             4.85406             4.90818
     C             6.89677             4.18336             3.65312
     C            10.32988             2.95540             2.68667
     C            10.51851             3.49849             3.94724
     C            11.38203             2.97583             1.74721
     H            11.19672             2.66422             0.70547
     C            12.64273             3.32393             2.23877
     H            13.48136             3.17075             1.57546
     C            12.82862             3.88689             3.49249
     H            13.76012             4.35246             3.76926
     C            11.80636             3.87143             4.40347
     H            11.85121             4.16138             5.44575
           70
 Energy:   -458.5917958002738    
     C             4.17439             2.27054             0.17799
     C             2.77656             1.82096             0.31614
     C             1.92770             3.01904             0.14352
     C             2.82036             4.21088            -0.04528
     C             4.17602             3.72407            -0.04849
     C             5.70479             0.71998             3.07337
     C             4.84883             0.54011             1.88363
     C             5.15363             1.60060             0.96564
     C             6.22205             2.43191             1.51640
     C             6.57012             1.86479             2.81152
     C             1.64610             0.36087             3.50311
     C             1.36593             0.97396             2.19736
     C             2.48612             0.79297             1.29868
     C             3.51567             0.09667             2.07931
     C             3.01527            -0.16349             3.45236
     C             0.11197             4.23081             3.04448
     C             0.57502             4.47969             1.66665
     C             0.82282             3.17546             1.02485
     C             0.52991             2.12832             2.01707
     C             0.10194             2.79577             3.24832
     C             3.15062             6.94493             2.39804
     C             3.60940             6.34335             1.12348
     C             2.54721             5.50117             0.52128
     C             1.39800             5.62983             1.44061
     C             1.76140             6.55321             2.56778
     C             6.56473             4.71342             2.42043
     C             6.20897             3.83764             1.33233
     C             5.21335             4.52009             0.51312
     C             4.94676             5.82041             1.13587
     C             5.77756             5.92231             2.33255
     C             4.14837             2.82637             7.05604
     C             2.75693             3.32354             7.17397
     C             2.80340             4.79447             6.95323
     C             4.20643             5.18949             6.72673
     C             5.02632             3.96179             6.76238
     C             3.84420             0.03370             4.60441
     C             3.37037             0.65875             5.89889
     C             4.41887             1.51744             6.42645
     C             5.55223             1.39695             5.49378
     C             5.19641             0.50263             4.39925
     C             0.49397             2.25828             4.51094
     C             0.84819             3.15258             5.61027
     C             1.76752             2.49891             6.52793
     C             2.03302             1.15414             5.93021
     C             1.22077             1.02535             4.69989
     C             1.34855             6.30619             3.91995
     C             2.15320             6.50449             5.12663
     C             1.84272             5.43232             6.09875
     C             0.85871             4.56287             5.44013
     C             0.51994             5.10859             4.12259
     C             5.33803             6.54981             3.53401
     C             5.65601             6.02091             4.87055
     C             4.52222             6.24911             5.77257
     C             3.50039             6.93591             4.97783
     C             3.98165             7.09787             3.58411
     C             6.90016             2.72638             3.89924
     C             6.40092             2.51022             5.25613
     C             6.15579             3.80637             5.89921
     C             6.48565             4.83966             4.91217
     C             6.92588             4.19465             3.69965
     C            10.47657             2.94857             2.67057
     C            10.66488             3.48081             3.91503
     C            11.54035             2.95145             1.75084
     H            11.47645             2.63054             0.70643
     C            12.78323             3.35856             2.21088
     H            13.62728             3.25453             1.56772
     C            13.02903             3.88813             3.46250
     H            14.01989             4.27630             3.68892
     C            11.95259             3.88441             4.34954
     H            12.18729             4.25231             5.33500
           70
 Energy:   -458.7314963671803    
     C             4.16496             2.25269             0.16042
     C             2.77875             1.82917             0.29594
     C             1.93095             3.03793             0.13931
     C             2.79948             4.21539            -0.07127
     C             4.20074             3.70067            -0.05132
     C             5.70948             0.71908             3.07951
     C             4.86112             0.56639             1.92195
     C             5.17428             1.64884             0.94944
     C             6.24883             2.43428             1.51031
     C             6.60746             1.87646             2.82060
     C             1.65922             0.39409             3.48386
     C             1.31653             1.00073             2.17584
     C             2.48049             0.82632             1.28782
     C             3.52153             0.15784             2.08720
     C             3.01011            -0.13625             3.43896
     C             0.09577             4.25699             3.03447
     C             0.56739             4.47648             1.65773
     C             0.77873             3.17185             0.99963
     C             0.50760             2.14336             2.02267
     C             0.08510             2.79332             3.25916
     C             3.14673             6.94430             2.38322
     C             3.64134             6.32820             1.14178
     C             2.53447             5.51797             0.56243
     C             1.38442             5.62505             1.47268
     C             1.74252             6.54452             2.57906
     C             6.66619             4.71598             2.44655
     C             6.25358             3.83955             1.32018
     C             5.22396             4.49603             0.52414
     C             4.94038             5.77592             1.15501
     C             5.79205             5.89512             2.35060
     C             4.15163             2.80020             7.00189
     C             2.76875             3.29694             7.17234
     C             2.78327             4.77887             6.96045
     C             4.17755             5.16975             6.69533
     C             5.00822             3.95961             6.74379
     C             3.82878             0.02030             4.63393
     C             3.36797             0.64307             5.87627
     C             4.44656             1.53384             6.42539
     C             5.59688             1.38037             5.53308
     C             5.22142             0.49005             4.40526
     C             0.46807             2.26028             4.52671
     C             0.80866             3.16992             5.62527
     C             1.75876             2.49248             6.52552
     C             2.04614             1.17684             5.91999
     C             1.22543             1.00994             4.69231
     C             1.31406             6.30829             3.92000
     C             2.16003             6.49175             5.14698
     C             1.81976             5.40532             6.09600
     C             0.81246             4.57489             5.43084
     C             0.52227             5.11454             4.09846
     C             5.31893             6.50729             3.53354
     C             5.67202             6.00227             4.85578
     C             4.53051             6.22899             5.77000
     C             3.50088             6.95823             4.96327
     C             3.98177             7.09040             3.54957
     C             6.92258             2.74310             3.91720
     C             6.39221             2.51556             5.26367
     C             6.12390             3.80100             5.89024
     C             6.47237             4.85044             4.96347
     C             6.97401             4.17722             3.72558
     C            10.61642             2.95641             2.63425
     C            10.85051             3.46010             3.91517
     C            11.71670             2.90283             1.73157
     H            11.50594             2.53098             0.73027
     C            12.97505             3.39117             2.12048
     H            13.76675             3.37230             1.39912
     C            13.16457             3.86447             3.43016
     H            14.16960             4.13464             3.76364
     C            12.12085             3.94909             4.35633
     H            12.17852             4.29492             5.38654
           70
 Energy:   -459.1341164085816    
     C             4.16382             2.25035             0.13889
     C             2.76321             1.84953             0.30460
     C             1.91078             3.05038             0.16852
     C             2.80706             4.23213            -0.05423
     C             4.19071             3.70628            -0.07316
     C             5.75634             0.74886             3.11170
     C             4.87685             0.60971             1.91640
     C             5.19426             1.63664             0.94368
     C             6.30059             2.43418             1.53185
     C             6.62221             1.88060             2.86993
     C             1.63933             0.43393             3.47824
     C             1.29323             0.97017             2.14294
     C             2.46526             0.86025             1.29350
     C             3.52302             0.19892             2.08323
     C             3.02247            -0.08034             3.43776
     C             0.11055             4.24441             3.04673
     C             0.52996             4.50944             1.68077
     C             0.76563             3.19582             1.02081
     C             0.48028             2.15614             2.04187
     C             0.05978             2.82209             3.27934
     C             3.14545             6.96193             2.39352
     C             3.63417             6.28073             1.17990
     C             2.54928             5.48325             0.59830
     C             1.38343             5.64152             1.47756
     C             1.76735             6.52906             2.58295
     C             6.70548             4.71862             2.42932
     C             6.36004             3.83842             1.31652
     C             5.25364             4.45939             0.55733
     C             4.96950             5.74939             1.17646
     C             5.82360             5.88411             2.34772
     C             4.14744             2.78683             6.98767
     C             2.77806             3.26149             7.10113
     C             2.77953             4.75563             6.90289
     C             4.18079             5.17238             6.66809
     C             4.98144             3.95366             6.73197
     C             3.86049             0.02882             4.60566
     C             3.37013             0.68729             5.87085
     C             4.44757             1.49565             6.39763
     C             5.61418             1.35196             5.53208
     C             5.25341             0.46774             4.43215
     C             0.41221             2.28599             4.55927
     C             0.74695             3.16526             5.65878
     C             1.73868             2.49653             6.49300
     C             2.02829             1.17484             5.88762
     C             1.20321             1.06698             4.68618
     C             1.29449             6.29435             3.91198
     C             2.11252             6.48801             5.12067
     C             1.77304             5.38932             6.07324
     C             0.76381             4.55561             5.42396
     C             0.46655             5.09738             4.12307
     C             5.31714             6.49528             3.52043
     C             5.66985             6.00645             4.84444
     C             4.53745             6.20486             5.72890
     C             3.47910             6.90251             4.94522
     C             3.97702             7.07798             3.56562
     C             6.94819             2.75405             3.94476
     C             6.42303             2.49698             5.27373
     C             6.10709             3.78053             5.89556
     C             6.49618             4.83472             4.94810
     C             7.02488             4.21497             3.74240
     C            10.81979             2.98776             2.64082
     C            11.03343             3.44540             3.90438
     C            11.87165             2.86453             1.68615
     H            11.70197             2.40800             0.71674
     C            13.11217             3.40842             2.06298
     H            13.95886             3.53325             1.39293
     C            13.28818             3.83877             3.40340
     H            14.31658             4.06268             3.71577
     C            12.25155             3.97918             4.33186
     H            12.36694             4.39175             5.34079
           70
 Energy:   -459.1371677560331    
     C             4.18170             2.26187             0.14114
     C             2.75233             1.87386             0.33306
     C             1.91159             3.08071             0.20894
     C             2.82293             4.20318            -0.01031
     C             4.21536             3.72713            -0.06113
     C             5.75343             0.75275             3.11373
     C             4.88668             0.61148             1.94533
     C             5.24073             1.65789             0.94980
     C             6.35516             2.41692             1.55184
     C             6.63801             1.91187             2.88012
     C             1.62521             0.46145             3.48542
     C             1.26432             0.97032             2.15306
     C             2.46339             0.85555             1.29552
     C             3.52923             0.24127             2.08035
     C             3.01805            -0.00697             3.43712
     C             0.09068             4.25586             3.08021
     C             0.50905             4.53384             1.70561
     C             0.77280             3.23493             1.07971
     C             0.45978             2.15108             2.04800
     C             0.04686             2.81406             3.28656
     C             3.15718             6.94315             2.41876
     C             3.66188             6.23555             1.22122
     C             2.56507             5.45053             0.63295
     C             1.38752             5.64151             1.46717
     C             1.75782             6.52699             2.59564
     C             6.73567             4.73720             2.43582
     C             6.41934             3.82354             1.30391
     C             5.28973             4.42914             0.55670
     C             4.97827             5.72607             1.19132
     C             5.86005             5.89468             2.34012
     C             4.14085             2.77107             6.98182
     C             2.75491             3.28688             7.00742
     C             2.77250             4.73008             6.79824
     C             4.16916             5.15326             6.64745
     C             5.00794             3.92801             6.72264
     C             3.87745             0.07163             4.58505
     C             3.35342             0.69281             5.79543
     C             4.44866             1.50549             6.40573
     C             5.62386             1.34260             5.52996
     C             5.29197             0.43705             4.41879
     C             0.33005             2.29900             4.56546
     C             0.67694             3.14563             5.69830
     C             1.71969             2.48170             6.47313
     C             2.00786             1.19929             5.85530
     C             1.15749             1.11188             4.64933
     C             1.25664             6.25733             3.89909
     C             2.07539             6.45958             5.09756
     C             1.75566             5.38945             6.05311
     C             0.71775             4.55200             5.46464
     C             0.40208             5.11740             4.14121
     C             5.34186             6.52447             3.50530
     C             5.68336             5.99026             4.82879
     C             4.49733             6.18174             5.70293
     C             3.44651             6.81112             4.92999
     C             3.97626             7.05905             3.57877
     C             7.00700             2.76708             3.95308
     C             6.45653             2.47792             5.29755
     C             6.14062             3.78303             5.88053
     C             6.50354             4.84659             4.94001
     C             7.05693             4.20922             3.72575
     C            11.02343             2.98110             2.61012
     C            11.14927             3.45037             3.91551
     C            12.02845             2.86518             1.65526
     H            11.92731             2.33896             0.71809
     C            13.21582             3.41781             2.06509
     H            14.01595             3.48731             1.31308
     C            13.43540             3.83686             3.36209
     H            14.44555             4.13171             3.67489
     C            12.41249             3.97260             4.28234
     H            12.64044             4.49887             5.21329
           70
 Energy:   -459.2934453549839    
     C             4.20834             2.26060             0.19484
     C             2.78717             1.87988             0.36465
     C             1.94751             3.08714             0.27547
     C             2.85910             4.21227             0.03407
     C             4.24354             3.69415            -0.02096
     C             5.77308             0.76282             3.10219
     C             4.89784             0.62897             1.93336
     C             5.25889             1.66702             0.96712
     C             6.39034             2.43154             1.52496
     C             6.65427             1.88821             2.87842
     C             1.62659             0.47910             3.47088
     C             1.25921             0.99769             2.15394
     C             2.43722             0.84872             1.28957
     C             3.52318             0.27216             2.10810
     C             3.00819             0.04750             3.43114
     C             0.01405             4.26481             3.08508
     C             0.51581             4.53325             1.74401
     C             0.79983             3.23536             1.10251
     C             0.45725             2.17782             2.05107
     C            -0.00084             2.82007             3.27880
     C             3.14716             6.87921             2.43213
     C             3.67750             6.20660             1.25683
     C             2.58769             5.44841             0.66646
     C             1.37850             5.63708             1.48981
     C             1.72807             6.52445             2.58853
     C             6.78027             4.73214             2.42943
     C             6.42125             3.83538             1.31339
     C             5.33543             4.45495             0.54270
     C             5.00686             5.69501             1.19368
     C             5.88476             5.91923             2.33699
     C             4.11912             2.78726             6.96407
     C             2.75388             3.28671             6.94071
     C             2.79125             4.71848             6.71697
     C             4.17619             5.10096             6.61053
     C             5.03072             3.92809             6.72988
     C             3.86588             0.10326             4.54072
     C             3.34278             0.73201             5.75525
     C             4.42418             1.49595             6.37698
     C             5.65287             1.35156             5.54526
     C             5.28862             0.44590             4.41989
     C             0.26060             2.27919             4.58126
     C             0.59087             3.15755             5.71427
     C             1.67904             2.48881             6.46763
     C             2.00240             1.21544             5.78399
     C             1.11600             1.09067             4.64862
     C             1.21361             6.26179             3.90758
     C             2.07230             6.41056             5.07532
     C             1.73856             5.37984             6.04031
     C             0.64216             4.58106             5.50507
     C             0.33255             5.11522             4.18301
     C             5.37332             6.57101             3.52135
     C             5.66821             5.99737             4.83087
     C             4.49577             6.12076             5.69015
     C             3.43032             6.76094             4.88216
     C             3.98625             7.03534             3.56608
     C             7.06473             2.73491             3.95332
     C             6.50784             2.49727             5.28360
     C             6.18534             3.79373             5.89100
     C             6.51964             4.83897             4.92290
     C             7.06696             4.19784             3.73205
     C            11.12247             2.93885             2.61369
     C            11.28731             3.46292             3.87442
     C            12.16775             2.87679             1.65236
     H            12.02521             2.38320             0.69807
     C            13.39813             3.40811             2.02048
     H            14.25965             3.42216             1.30812
     C            13.60982             3.87438             3.31880
     H            14.61068             4.24082             3.57412
     C            12.57068             3.96129             4.26245
     H            12.66382             4.48885             5.22056
           70
 Energy:   -459.0532071311246    
     C             4.21712             2.25405             0.25765
     C             2.82795             1.86833             0.39085
     C             2.02469             3.07570             0.32458
     C             2.91333             4.20979             0.07504
     C             4.28371             3.69964             0.02309
     C             5.78432             0.74755             3.10139
     C             4.89167             0.64050             1.93462
     C             5.27000             1.65199             0.97291
     C             6.38606             2.43028             1.52426
     C             6.72155             1.86967             2.84305
     C             1.59559             0.49906             3.45524
     C             1.26557             1.02599             2.13717
     C             2.45000             0.85481             1.28843
     C             3.52252             0.29292             2.08270
     C             2.99177             0.04899             3.42109
     C            -0.07384             4.26641             3.09225
     C             0.52403             4.51448             1.75371
     C             0.83272             3.24201             1.11606
     C             0.46260             2.19706             2.07444
     C            -0.09170             2.82071             3.29804
     C             3.13354             6.83976             2.45313
     C             3.67041             6.18339             1.27781
     C             2.57883             5.45201             0.67799
     C             1.38130             5.62169             1.50115
     C             1.71269             6.52111             2.61518
     C             6.78760             4.74380             2.43178
     C             6.43187             3.85145             1.32049
     C             5.35634             4.46627             0.53714
     C             5.01947             5.75380             1.20312
     C             5.92630             5.92343             2.36181
     C             4.13999             2.76675             6.92160
     C             2.74546             3.25828             6.91866
     C             2.79721             4.69018             6.70054
     C             4.19870             5.09076             6.56450
     C             5.03764             3.90223             6.73709
     C             3.86146             0.14230             4.54846
     C             3.33978             0.78008             5.73324
     C             4.42955             1.53255             6.34804
     C             5.65663             1.36909             5.54027
     C             5.27717             0.50404             4.40350
     C             0.20049             2.24956             4.57085
     C             0.52575             3.16147             5.71725
     C             1.64211             2.50366             6.42833
     C             1.98671             1.25292             5.76997
     C             1.06865             1.06073             4.64648
     C             1.15989             6.27152             3.91555
     C             2.08774             6.38133             5.04543
     C             1.72343             5.35251             6.03774
     C             0.55552             4.58990             5.53281
     C             0.25106             5.13209             4.17828
     C             5.40576             6.58365             3.51787
     C             5.70840             5.99013             4.83597
     C             4.50038             6.09951             5.63355
     C             3.46494             6.73211             4.87313
     C             3.99552             7.02300             3.54345
     C             7.08345             2.72693             3.93801
     C             6.53528             2.47598             5.30166
     C             6.21155             3.78916             5.91544
     C             6.52238             4.83957             4.91900
     C             7.08941             4.18131             3.71709
     C            11.21860             2.89097             2.60181
     C            11.47111             3.47809             3.81980
     C            12.29598             2.88507             1.65785
     H            12.07111             2.51162             0.65795
     C            13.57874             3.37840             1.99487
     H            14.44283             3.34597             1.28305
     C            13.75954             3.93538             3.29060
     H            14.73189             4.34163             3.56350
     C            12.72034             3.95816             4.22464
     H            12.82599             4.34978             5.24020
           70
 Energy:   -458.7832501626224    
     C             4.25981             2.28040             0.25431
     C             2.85226             1.88791             0.39150
     C             2.04142             3.08167             0.35185
     C             2.93162             4.19026             0.11049
     C             4.30735             3.71140             0.05594
     C             5.81378             0.74518             3.08201
     C             4.90201             0.61737             1.96565
     C             5.28803             1.63537             0.98774
     C             6.38943             2.43125             1.53265
     C             6.77289             1.84361             2.83150
     C             1.57937             0.48230             3.44729
     C             1.27744             1.03607             2.13022
     C             2.47037             0.86720             1.29006
     C             3.52422             0.25640             2.09111
     C             2.98198             0.02083             3.42001
     C            -0.13263             4.27687             3.06991
     C             0.50282             4.52140             1.75988
     C             0.88200             3.23630             1.16339
     C             0.45339             2.19167             2.09003
     C            -0.17522             2.79865             3.27825
     C             3.13284             6.85595             2.47466
     C             3.65266             6.20303             1.28428
     C             2.57638             5.43168             0.66779
     C             1.37317             5.61045             1.51382
     C             1.70639             6.49239             2.62507
     C             6.78321             4.74030             2.44535
     C             6.44647             3.84262             1.32401
     C             5.36923             4.52661             0.57696
     C             5.05147             5.80488             1.20834
     C             5.94065             5.94282             2.35049
     C             4.13358             2.78171             6.92765
     C             2.75714             3.23952             6.93059
     C             2.78180             4.67907             6.72154
     C             4.18601             5.07469             6.54964
     C             5.04680             3.90088             6.70865
     C             3.84629             0.18048             4.53021
     C             3.32199             0.83198             5.73698
     C             4.45682             1.54000             6.31894
     C             5.63255             1.37968             5.50164
     C             5.26153             0.55302             4.38222
     C             0.12813             2.24305             4.58029
     C             0.49039             3.12859             5.68697
     C             1.64782             2.53518             6.39364
     C             1.95031             1.25314             5.77322
     C             1.03601             1.07234             4.64333
     C             1.14047             6.26699             3.91946
     C             2.08649             6.34899             5.04386
     C             1.71743             5.32139             6.01536
     C             0.50550             4.59010             5.50873
     C             0.17286             5.17891             4.17854
     C             5.43448             6.57083             3.51441
     C             5.75373             6.00262             4.80352
     C             4.54657             6.08947             5.62705
     C             3.46332             6.72587             4.85782
     C             4.03039             7.01993             3.56119
     C             7.07464             2.72360             3.93681
     C             6.55824             2.46373             5.30864
     C             6.23170             3.75810             5.91048
     C             6.55801             4.80218             4.93458
     C             7.09420             4.18113             3.71949
     C            11.40424             2.87156             2.56866
     C            11.62477             3.47533             3.78603
     C            12.44213             2.88211             1.62762
     H            12.27362             2.62045             0.57563
     C            13.68132             3.35219             2.03841
     H            14.48123             3.26847             1.29696
     C            13.90769             3.97660             3.23415
     H            14.85763             4.41253             3.49870
     C            12.89778             3.97518             4.18394
     H            13.15066             4.22621             5.21271
           70
 Energy:   -458.5298498590641    
     C             4.29900             2.28472             0.21326
     C             2.88174             1.89228             0.38895
     C             2.02543             3.08512             0.35966
     C             2.91675             4.21087             0.11898
     C             4.31258             3.75822             0.07612
     C             5.84475             0.72576             3.09758
     C             4.92823             0.59343             1.94489
     C             5.29131             1.63538             0.99816
     C             6.42755             2.42451             1.53798
     C             6.76158             1.83695             2.85282
     C             1.58217             0.44818             3.46511
     C             1.28532             1.01279             2.15115
     C             2.49444             0.86844             1.30215
     C             3.53878             0.19897             2.10941
     C             2.95905            -0.02261             3.43065
     C            -0.17828             4.28737             3.07059
     C             0.48338             4.51592             1.75937
     C             0.88931             3.24114             1.22150
     C             0.44947             2.16901             2.07779
     C            -0.22057             2.80251             3.25434
     C             3.14044             6.88721             2.46560
     C             3.68508             6.25511             1.25876
     C             2.58797             5.45541             0.70431
     C             1.37278             5.61001             1.50777
     C             1.73163             6.48124             2.62464
     C             6.78595             4.73917             2.45813
     C             6.43029             3.86810             1.34464
     C             5.36639             4.53174             0.58420
     C             5.03912             5.82471             1.20063
     C             5.96003             5.97145             2.33493
     C             4.15804             2.78131             6.96638
     C             2.74450             3.26573             6.95771
     C             2.77120             4.69614             6.74193
     C             4.17710             5.08248             6.56010
     C             5.03230             3.91198             6.67006
     C             3.82571             0.21513             4.51262
     C             3.31041             0.82876             5.71653
     C             4.42126             1.55787             6.34062
     C             5.62988             1.40043             5.46670
     C             5.23571             0.54763             4.34947
     C             0.07768             2.23078             4.56014
     C             0.50005             3.16953             5.66128
     C             1.64554             2.54167             6.37636
     C             1.93327             1.24516             5.76585
     C             1.02132             1.07776             4.61283
     C             1.16204             6.26300             3.91598
     C             2.08140             6.32208             5.04573
     C             1.69804             5.27327             5.98944
     C             0.52024             4.56263             5.46374
     C             0.13109             5.18456             4.16124
     C             5.43561             6.57711             3.51481
     C             5.78428             5.96617             4.82370
     C             4.56271             6.09187             5.66355
     C             3.48106             6.70675             4.89215
     C             4.03043             7.02817             3.56133
     C             7.08503             2.70535             3.93511
     C             6.55827             2.45086             5.27020
     C             6.23439             3.74701             5.90133
     C             6.59715             4.81532             4.94904
     C             7.08264             4.16039             3.74001
     C            11.59668             2.87691             2.55384
     C            11.79881             3.47283             3.78625
     C            12.59370             2.86312             1.56080
     H            12.45555             2.55694             0.51051
     C            13.81704             3.33789             1.99940
     H            14.67313             3.23695             1.35852
     C            14.06046             4.00365             3.21254
     H            15.04559             4.43774             3.31005
     C            13.05792             3.98790             4.16990
     H            13.24771             4.24862             5.20598
           70
 Energy:   -458.7193719811372    
     C             4.27575             2.30609             0.19544
     C             2.88175             1.87363             0.40385
     C             2.04397             3.08502             0.36366
     C             2.90011             4.24759             0.11791
     C             4.26908             3.75164             0.04105
     C             5.81513             0.68762             3.07719
     C             4.94401             0.56285             1.91715
     C             5.31984             1.66658             0.96586
     C             6.42841             2.43620             1.54710
     C             6.73613             1.84621             2.85694
     C             1.57395             0.41877             3.45816
     C             1.29040             0.99195             2.15339
     C             2.52152             0.85063             1.32803
     C             3.56018             0.17424             2.08781
     C             2.97386            -0.07348             3.42913
     C            -0.20343             4.28138             3.05166
     C             0.49638             4.52921             1.77149
     C             0.88291             3.22713             1.18153
     C             0.44413             2.16117             2.10043
     C            -0.22272             2.79291             3.25692
     C             3.16430             6.92433             2.44739
     C             3.68377             6.31244             1.23862
     C             2.60589             5.49229             0.70063
     C             1.39372             5.62360             1.53041
     C             1.75943             6.50837             2.62534
     C             6.77697             4.76648             2.47559
     C             6.41083             3.85446             1.36981
     C             5.35608             4.51891             0.58259
     C             5.06228             5.81810             1.18807
     C             5.96761             5.98964             2.35167
     C             4.12095             2.79047             6.99126
     C             2.72410             3.26510             6.99289
     C             2.76579             4.71559             6.75220
     C             4.18384             5.10148             6.60099
     C             5.01975             3.90562             6.67346
     C             3.81340             0.19162             4.52017
     C             3.28905             0.81672             5.71400
     C             4.41280             1.53795             6.33456
     C             5.58176             1.39194             5.48436
     C             5.21753             0.52545             4.37905
     C             0.10570             2.24679             4.54018
     C             0.52310             3.13994             5.62382
     C             1.63344             2.53791             6.38267
     C             1.93601             1.26793             5.73835
     C             1.02123             1.06508             4.61504
     C             1.17221             6.24626             3.89331
     C             2.11174             6.31031             5.04439
     C             1.71930             5.27573             5.97187
     C             0.56538             4.57000             5.42051
     C             0.18899             5.16962             4.14167
     C             5.43435             6.57704             3.54920
     C             5.74004             5.97875             4.85755
     C             4.55406             6.11023             5.68540
     C             3.48172             6.70235             4.91122
     C             4.00975             7.02547             3.59654
     C             7.10305             2.71485             3.93392
     C             6.51796             2.46265             5.26608
     C             6.22077             3.76019             5.89340
     C             6.61776             4.81085             4.95991
     C             7.10223             4.16016             3.71722
     C            11.74968             2.89219             2.53840
     C            11.98111             3.45329             3.77748
     C            12.75551             2.84904             1.53709
     H            12.53287             2.37408             0.56984
     C            14.03036             3.35713             1.90650
     H            14.84709             3.19968             1.24055
     C            14.19708             3.98745             3.16677
     H            15.12666             4.49107             3.44004
     C            13.22243             4.00625             4.17714
     H            13.30201             4.44465             5.16997
           70
 Energy:   -459.0137124960266    
     C             4.25153             2.29272             0.22086
     C             2.86394             1.89097             0.42369
     C             2.03289             3.08529             0.36742
     C             2.89730             4.22739             0.10245
     C             4.27672             3.75562            -0.00858
     C             5.79168             0.70399             3.08645
     C             4.93532             0.57086             1.85546
     C             5.30359             1.65226             0.92849
     C             6.37629             2.44343             1.56070
     C             6.70566             1.83178             2.86012
     C             1.58140             0.38406             3.45105
     C             1.30226             0.99631             2.13907
     C             2.50137             0.84959             1.31311
     C             3.56432             0.16798             2.08100
     C             2.99107            -0.10413             3.39468
     C            -0.14938             4.27580             3.03826
     C             0.53383             4.52222             1.73984
     C             0.84768             3.22185             1.14863
     C             0.46947             2.16272             2.07589
     C            -0.17957             2.79555             3.25359
     C             3.17693             6.96934             2.47142
     C             3.71923             6.32939             1.22608
     C             2.59460             5.51770             0.65532
     C             1.43689             5.63507             1.54513
     C             1.76802             6.55571             2.62184
     C             6.76830             4.76288             2.45941
     C             6.39295             3.86737             1.38283
     C             5.32903             4.50067             0.58815
     C             5.05969             5.84039             1.19446
     C             5.93232             5.98378             2.37763
     C             4.08576             2.76004             6.96109
     C             2.69507             3.26783             7.00744
     C             2.77206             4.70159             6.78034
     C             4.17949             5.10254             6.64936
     C             5.00673             3.89766             6.73028
     C             3.81178             0.10343             4.55116
     C             3.28550             0.80521             5.73379
     C             4.36419             1.53815             6.35370
     C             5.57149             1.38696             5.50729
     C             5.22778             0.49686             4.38318
     C             0.18513             2.23618             4.53288
     C             0.55097             3.15543             5.61871
     C             1.63103             2.53135             6.39196
     C             1.95321             1.27214             5.73607
     C             1.04091             1.05307             4.61079
     C             1.22827             6.25291             3.89391
     C             2.10926             6.33205             5.01106
     C             1.75945             5.30811             5.97569
     C             0.61577             4.54000             5.41974
     C             0.27472             5.13021             4.10773
     C             5.40545             6.57395             3.57286
     C             5.73996             5.98694             4.87449
     C             4.52139             6.12153             5.72110
     C             3.46101             6.72996             4.90653
     C             4.03051             7.02480             3.60180
     C             7.07279             2.71324             3.94616
     C             6.46102             2.47212             5.27999
     C             6.17840             3.76471             5.89905
     C             6.56776             4.84153             4.94377
     C             7.13777             4.21094             3.74360
     C            11.90813             2.92184             2.52174
     C            12.13033             3.41993             3.78098
     C            12.94485             2.83878             1.55453
     H            12.75638             2.28408             0.63815
     C            14.17763             3.38094             1.85789
     H            15.01373             3.35105             1.18575
     C            14.35149             3.96334             3.13068
     H            15.34615             4.41873             3.28788
     C            13.35772             4.01369             4.11298
     H            13.52769             4.60097             5.00839
           70
 Energy:   -459.1902328656046    
     C             4.23983             2.29552             0.21120
     C             2.84341             1.91806             0.43269
     C             2.00949             3.09753             0.34507
     C             2.89206             4.23950             0.06361
     C             4.29061             3.73226            -0.01193
     C             5.75397             0.72775             3.06440
     C             4.91491             0.56519             1.88805
     C             5.27526             1.62390             0.93697
     C             6.32346             2.44543             1.55828
     C             6.66951             1.87059             2.87182
     C             1.60620             0.38128             3.43262
     C             1.30430             0.99388             2.14407
     C             2.48701             0.84880             1.28470
     C             3.53860             0.18854             2.04220
     C             2.99223            -0.11953             3.41459
     C            -0.01929             4.26403             3.02094
     C             0.55750             4.52527             1.70949
     C             0.84252             3.23149             1.10954
     C             0.47815             2.16400             2.03785
     C            -0.07919             2.79633             3.23355
     C             3.19119             6.97791             2.43672
     C             3.69182             6.33891             1.22976
     C             2.62802             5.51890             0.64100
     C             1.44610             5.63381             1.51152
     C             1.78116             6.57443             2.59751
     C             6.77100             4.76404             2.48470
     C             6.35864             3.85774             1.37271
     C             5.31902             4.53962             0.60117
     C             5.04400             5.82758             1.20489
     C             5.90090             5.94706             2.39058
     C             4.06338             2.77300             6.96019
     C             2.69777             3.26437             6.99766
     C             2.75337             4.71633             6.81010
     C             4.15991             5.09925             6.68560
     C             4.98782             3.88725             6.78518
     C             3.82909             0.02704             4.56989
     C             3.28798             0.72540             5.72635
     C             4.36312             1.51270             6.33425
     C             5.55620             1.36788             5.51612
     C             5.22580             0.46178             4.38939
     C             0.23105             2.24787             4.51107
     C             0.58964             3.14113             5.63512
     C             1.64293             2.51107             6.40316
     C             1.96276             1.23305             5.76935
     C             1.10566             1.04021             4.59923
     C             1.24023             6.25193             3.87604
     C             2.12602             6.37527             5.05181
     C             1.76470             5.32104             5.99278
     C             0.67466             4.56502             5.41724
     C             0.36569             5.11345             4.10525
     C             5.40668             6.55765             3.57068
     C             5.70481             6.02181             4.89728
     C             4.51036             6.12631             5.74285
     C             3.48148             6.77074             4.91591
     C             4.02959             7.05737             3.59700
     C             7.01360             2.73956             3.95920
     C             6.42697             2.49176             5.27581
     C             6.11385             3.78716             5.90086
     C             6.50982             4.83074             4.97816
     C             7.12262             4.21199             3.76619
     C            12.07086             2.93602             2.49625
     C            12.26138             3.39781             3.78955
     C            13.09579             2.80073             1.54832
     H            13.00872             2.27963             0.60599
     C            14.30054             3.41080             1.86240
     H            15.06418             3.48583             1.09404
     C            14.53237             3.95148             3.08471
     H            15.51002             4.38665             3.36941
     C            13.51899             4.03885             4.02402
     H            13.67245             4.59741             4.94483
           70
 Energy:   -459.2754723282329    
     C             4.23241             2.28252             0.19734
     C             2.83499             1.91856             0.39905
     C             2.03425             3.13130             0.26382
     C             2.91686             4.25990             0.01488
     C             4.27256             3.75932             0.01471
     C             5.73398             0.73546             3.11337
     C             4.87611             0.56911             1.92472
     C             5.23709             1.62324             0.96603
     C             6.30169             2.44791             1.54897
     C             6.59181             1.91480             2.87282
     C             1.62810             0.41281             3.43959
     C             1.29450             0.98374             2.12149
     C             2.47088             0.85898             1.28031
     C             3.51840             0.17126             2.06659
     C             3.00218            -0.11744             3.38154
     C             0.10873             4.24781             3.04194
     C             0.57944             4.53809             1.68824
     C             0.84700             3.23550             1.05268
     C             0.48729             2.15634             2.00118
     C             0.02827             2.81881             3.21854
     C             3.18068             6.97594             2.41960
     C             3.70856             6.32280             1.21039
     C             2.64319             5.49998             0.64952
     C             1.44131             5.65636             1.45264
     C             1.78186             6.54245             2.56841
     C             6.74334             4.73666             2.49030
     C             6.35110             3.86597             1.38521
     C             5.31057             4.52925             0.57691
     C             5.01498             5.81571             1.23695
     C             5.89400             5.93066             2.40105
     C             4.07573             2.73404             6.97111
     C             2.69979             3.26679             6.98717
     C             2.73585             4.72002             6.84065
     C             4.14537             5.13316             6.70151
     C             4.95746             3.91138             6.79456
     C             3.84472            -0.01985             4.54085
     C             3.30580             0.64301             5.76184
     C             4.35856             1.49986             6.32235
     C             5.56179             1.35376             5.47573
     C             5.23631             0.43535             4.39091
     C             0.29377             2.24847             4.50237
     C             0.61964             3.14395             5.61927
     C             1.67408             2.46117             6.42347
     C             1.97263             1.16229             5.79980
     C             1.13518             1.06313             4.60675
     C             1.28545             6.28600             3.88911
     C             2.12498             6.42633             5.09065
     C             1.76035             5.36297             6.02780
     C             0.70361             4.54205             5.41575
     C             0.42570             5.10551             4.10042
     C             5.39516             6.56635             3.57931
     C             5.69797             6.00905             4.91199
     C             4.50727             6.14139             5.74718
     C             3.48647             6.81904             4.94749
     C             4.02068             7.09340             3.58243
     C             6.96158             2.76538             3.96288
     C             6.37446             2.49535             5.28678
     C             6.06085             3.76064             5.92111
     C             6.48255             4.84273             5.00198
     C             7.03012             4.20350             3.79797
     C            12.18772             2.89736             2.48670
     C            12.44675             3.41375             3.72953
     C            13.23149             2.77616             1.52406
     H            13.04778             2.26257             0.59134
     C            14.44373             3.41720             1.80663
     H            15.19951             3.49355             0.99607
     C            14.70340             3.98013             3.09101
     H            15.71584             4.35558             3.33896
     C            13.65643             4.06222             4.01895
     H            13.77476             4.56298             4.98267
           70
 Energy:   -459.0219006466681    
     C             4.22746             2.30493             0.19773
     C             2.82432             1.89826             0.33062
     C             2.01600             3.12249             0.17258
     C             2.92471             4.26331            -0.01009
     C             4.29020             3.74115             0.00182
     C             5.72843             0.75205             3.10114
     C             4.86581             0.59233             1.94402
     C             5.20469             1.64590             0.98381
     C             6.27757             2.44789             1.56520
     C             6.53895             1.92352             2.90211
     C             1.63317             0.44541             3.43648
     C             1.28069             0.97749             2.10583
     C             2.49685             0.85874             1.27282
     C             3.51428             0.16217             2.04587
     C             2.98000            -0.10758             3.39220
     C             0.19360             4.25506             3.02574
     C             0.60980             4.52605             1.66234
     C             0.85967             3.24962             0.98842
     C             0.51366             2.17794             1.96044
     C             0.11515             2.81140             3.22232
     C             3.17586             6.96330             2.42544
     C             3.70403             6.30999             1.22140
     C             2.63732             5.50732             0.60675
     C             1.43234             5.67267             1.43167
     C             1.78167             6.53444             2.58166
     C             6.67842             4.72727             2.51014
     C             6.36337             3.85105             1.36283
     C             5.33568             4.52078             0.59993
     C             5.04659             5.78632             1.23704
     C             5.88744             5.94452             2.42053
     C             4.07818             2.74677             6.97042
     C             2.70736             3.23537             7.00655
     C             2.73998             4.72573             6.85461
     C             4.12630             5.14929             6.70619
     C             4.93612             3.91451             6.78295
     C             3.83842            -0.02938             4.54188
     C             3.32014             0.58734             5.78776
     C             4.37633             1.46762             6.32790
     C             5.52355             1.34270             5.47756
     C             5.23950             0.40580             4.40288
     C             0.36787             2.26298             4.49556
     C             0.68616             3.11123             5.62044
     C             1.67524             2.43262             6.43416
     C             1.97216             1.10883             5.82007
     C             1.14613             1.04324             4.61121
     C             1.32007             6.29487             3.90399
     C             2.10792             6.48072             5.11492
     C             1.73842             5.39472             6.07514
     C             0.73667             4.54891             5.42662
     C             0.48072             5.13261             4.11223
     C             5.38584             6.58402             3.58920
     C             5.67979             6.00847             4.89986
     C             4.49759             6.17470             5.75575
     C             3.46821             6.87674             4.95504
     C             4.00574             7.10599             3.60753
     C             6.88813             2.75654             3.97982
     C             6.34752             2.47743             5.28177
     C             6.07037             3.76540             5.93789
     C             6.46666             4.81616             5.03024
     C             6.93516             4.21226             3.79112
     C            12.33172             2.82208             2.46482
     C            12.61927             3.45681             3.65767
     C            13.35870             2.78513             1.49414
     H            13.15107             2.26033             0.57080
     C            14.58001             3.41999             1.79698
     H            15.42344             3.44455             1.05803
     C            14.82422             3.99536             3.04779
     H            15.82828             4.36665             3.23991
     C            13.84110             4.07506             4.03911
     H            13.96974             4.57099             5.01354
           70
 Energy:   -458.8307353444605    
     C             4.22181             2.29649             0.19394
     C             2.82315             1.88050             0.26555
     C             1.98778             3.07988             0.09456
     C             2.91781             4.24851            -0.03688
     C             4.31293             3.74703            -0.02186
     C             5.69663             0.72239             3.09821
     C             4.86322             0.60298             1.91304
     C             5.20033             1.67051             0.99702
     C             6.26446             2.45197             1.60094
     C             6.54549             1.90196             2.90212
     C             1.60867             0.43285             3.39430
     C             1.32566             0.99743             2.06604
     C             2.49498             0.85382             1.22171
     C             3.52616             0.16676             2.04754
     C             2.97721            -0.09332             3.39830
     C             0.22593             4.27080             3.01047
     C             0.64628             4.53352             1.63647
     C             0.84715             3.24542             0.96376
     C             0.55593             2.18958             1.94692
     C             0.17285             2.83807             3.19211
     C             3.19939             6.93392             2.45412
     C             3.72003             6.28932             1.23936
     C             2.62855             5.55285             0.56602
     C             1.44375             5.68374             1.44292
     C             1.79725             6.55433             2.59193
     C             6.64876             4.72686             2.52655
     C             6.38737             3.85125             1.38233
     C             5.34130             4.50558             0.58640
     C             5.03821             5.81548             1.20989
     C             5.85990             5.95335             2.40590
     C             4.07961             2.74044             6.94277
     C             2.70424             3.23515             7.04236
     C             2.72061             4.71077             6.86572
     C             4.13635             5.12844             6.68390
     C             4.95681             3.91092             6.76251
     C             3.81633            -0.03208             4.56964
     C             3.29890             0.59410             5.80739
     C             4.34348             1.45325             6.38783
     C             5.52877             1.32749             5.50841
     C             5.21609             0.40400             4.39063
     C             0.42711             2.26951             4.48325
     C             0.74499             3.14298             5.61630
     C             1.70375             2.40880             6.46294
     C             1.96678             1.09050             5.84521
     C             1.14635             1.00119             4.62464
     C             1.31023             6.29052             3.91855
     C             2.09196             6.51122             5.16136
     C             1.74016             5.41799             6.10750
     C             0.75544             4.55322             5.44243
     C             0.49866             5.09843             4.10869
     C             5.36671             6.59826             3.59088
     C             5.65058             6.01607             4.92040
     C             4.47191             6.20584             5.77632
     C             3.45853             6.90952             4.98457
     C             3.99296             7.11114             3.61646
     C             6.82767             2.76133             3.97853
     C             6.33398             2.47699             5.32034
     C             6.10924             3.75352             5.97257
     C             6.43174             4.83784             5.01470
     C             6.89109             4.16884             3.80349
     C            12.53374             2.77895             2.47346
     C            12.75977             3.50962             3.63889
     C            13.50973             2.80023             1.44095
     H            13.43816             2.32476             0.46039
     C            14.69332             3.39720             1.80178
     H            15.50646             3.31683             1.05177
     C            14.96665             4.02412             3.00882
     H            15.91600             4.48459             3.20152
     C            14.01015             4.05034             3.98862
     H            14.18829             4.50561             4.96776
           70
 Energy:   -458.6251846246648    
     C             4.23745             2.29032             0.15802
     C             2.83503             1.85588             0.22452
     C             1.98836             3.08658             0.06599
     C             2.88911             4.27163            -0.07175
     C             4.26318             3.74632            -0.03214
     C             5.68992             0.69004             3.09817
     C             4.86804             0.57378             1.88425
     C             5.21988             1.68546             0.99016
     C             6.28392             2.46624             1.60848
     C             6.56629             1.83924             2.91322
     C             1.60373             0.39061             3.38023
     C             1.34997             1.01691             2.04279
     C             2.51412             0.82061             1.17615
     C             3.51624             0.18883             2.03136
     C             2.98855            -0.08662             3.36635
     C             0.21526             4.26471             2.98408
     C             0.65600             4.55269             1.63308
     C             0.85668             3.23445             0.94260
     C             0.59399             2.20037             1.95263
     C             0.19885             2.84031             3.19079
     C             3.21129             6.90196             2.46210
     C             3.70447             6.30305             1.22413
     C             2.64036             5.54861             0.56677
     C             1.47660             5.71104             1.43638
     C             1.80704             6.55106             2.61076
     C             6.66422             4.74959             2.53256
     C             6.35423             3.87475             1.41490
     C             5.35447             4.52948             0.54967
     C             5.05050             5.81784             1.17040
     C             5.84052             5.95264             2.40702
     C             4.08345             2.74958             6.95783
     C             2.72600             3.23894             7.07352
     C             2.75033             4.71158             6.88097
     C             4.12877             5.10153             6.66124
     C             4.95316             3.89405             6.76723
     C             3.77863            -0.00675             4.58175
     C             3.27372             0.61444             5.82680
     C             4.34472             1.43841             6.40583
     C             5.53169             1.29648             5.56147
     C             5.16627             0.43574             4.42642
     C             0.45164             2.29224             4.46023
     C             0.78071             3.13641             5.60119
     C             1.70079             2.43668             6.47315
     C             1.92861             1.09993             5.85864
     C             1.12954             1.00762             4.60329
     C             1.29125             6.30194             3.93340
     C             2.07031             6.51305             5.16969
     C             1.74041             5.40406             6.11254
     C             0.75440             4.55912             5.44342
     C             0.50268             5.07770             4.11823
     C             5.34871             6.58458             3.60410
     C             5.63543             6.03977             4.93026
     C             4.46425             6.19507             5.80502
     C             3.43953             6.91829             5.01883
     C             3.99014             7.11737             3.64632
     C             6.80541             2.71555             4.00343
     C             6.35808             2.46162             5.34718
     C             6.14563             3.78107             5.99333
     C             6.41017             4.82947             5.01603
     C             6.87731             4.18606             3.80500
     C            12.73381             2.77602             2.48278
     C            12.87393             3.51208             3.62302
     C            13.65086             2.79410             1.43503
     H            13.45450             2.39002             0.42859
     C            14.89723             3.38131             1.75189
     H            15.72194             3.34027             1.03155
     C            15.14358             4.05228             2.95682
     H            16.08108             4.56083             3.06728
     C            14.14510             4.04445             3.94753
     H            14.36527             4.40750             4.95293
           70
 Energy:   -458.6698932899777    
     C             4.24842             2.31516             0.12295
     C             2.84426             1.86137             0.20150
     C             2.00760             3.10139             0.08447
     C             2.88236             4.27709            -0.08419
     C             4.27365             3.77590            -0.03748
     C             5.68963             0.66384             3.11931
     C             4.90038             0.56092             1.88419
     C             5.24244             1.66543             0.95658
     C             6.30611             2.44700             1.62085
     C             6.58859             1.83298             2.92276
     C             1.61011             0.39811             3.37885
     C             1.33511             0.97600             2.05288
     C             2.50880             0.81830             1.17059
     C             3.54361             0.17262             1.98906
     C             2.98627            -0.09216             3.35223
     C             0.19051             4.27770             3.00310
     C             0.63693             4.55048             1.61577
     C             0.88884             3.27032             0.95507
     C             0.61420             2.20870             1.94122
     C             0.18349             2.83574             3.17474
     C             3.20852             6.91415             2.47561
     C             3.72733             6.33010             1.19192
     C             2.64667             5.53065             0.59145
     C             1.45283             5.69008             1.43803
     C             1.80923             6.51801             2.61515
     C             6.66112             4.77169             2.52154
     C             6.30966             3.86723             1.40224
     C             5.32999             4.53104             0.52974
     C             5.05053             5.84636             1.17263
     C             5.83671             5.96855             2.41948
     C             4.10148             2.72239             7.01756
     C             2.71297             3.23913             7.07677
     C             2.74672             4.71386             6.87606
     C             4.14619             5.09517             6.67323
     C             4.96414             3.90049             6.78599
     C             3.74123             0.06000             4.55558
     C             3.24459             0.62642             5.83261
     C             4.34783             1.45571             6.42544
     C             5.53399             1.29920             5.59202
     C             5.15947             0.45817             4.42750
     C             0.44753             2.30755             4.45373
     C             0.75306             3.14525             5.58052
     C             1.68157             2.46080             6.45636
     C             1.90341             1.12790             5.85386
     C             1.13360             1.03280             4.57401
     C             1.27664             6.30116             3.92633
     C             2.06294             6.48788             5.16591
     C             1.75014             5.37491             6.10078
     C             0.75059             4.53359             5.43441
     C             0.47815             5.11511             4.10394
     C             5.33819             6.56506             3.62451
     C             5.65948             6.01577             4.94269
     C             4.47415             6.17922             5.79721
     C             3.43248             6.89906             5.02923
     C             3.97500             7.10353             3.66175
     C             6.85707             2.71668             4.00907
     C             6.38728             2.43511             5.39328
     C             6.11971             3.75687             6.00441
     C             6.42237             4.82581             5.03682
     C             6.88409             4.16066             3.80617
     C            12.86686             2.77461             2.46696
     C            13.03207             3.49947             3.63477
     C            13.87078             2.79340             1.44021
     H            13.50333             2.43585             0.47054
     C            15.10645             3.37371             1.67285
     H            15.85039             3.34321             0.89704
     C            15.27264             4.04943             2.89635
     H            16.19987             4.56687             3.10282
     C            14.31057             4.07098             3.91487
     H            14.50071             4.40278             4.93142
           70
 Energy:   -458.9975393572000    
     C             4.27944             2.31145             0.13272
     C             2.84624             1.89481             0.23281
     C             2.02874             3.11640             0.11857
     C             2.93344             4.27323            -0.05052
     C             4.29616             3.78430            -0.07565
     C             5.73245             0.70917             3.11521
     C             4.91648             0.55614             1.87562
     C             5.26667             1.63607             0.94202
     C             6.29527             2.43664             1.59848
     C             6.59366             1.86062             2.93397
     C             1.61752             0.43424             3.36296
     C             1.30675             0.97219             2.02334
     C             2.50373             0.84296             1.17347
     C             3.54709             0.12851             1.99312
     C             2.98865            -0.08398             3.33975
     C             0.14673             4.28426             2.98268
     C             0.58356             4.55278             1.64717
     C             0.91616             3.26777             0.99688
     C             0.60590             2.19694             1.93351
     C             0.13734             2.85055             3.16212
     C             3.18931             6.94316             2.45371
     C             3.70367             6.36392             1.21638
     C             2.63233             5.53263             0.59738
     C             1.45693             5.66264             1.45134
     C             1.80305             6.49751             2.59703
     C             6.63082             4.71472             2.52835
     C             6.31471             3.84732             1.39612
     C             5.31624             4.56553             0.58568
     C             5.05804             5.87222             1.18865
     C             5.84893             5.97712             2.41568
     C             4.07436             2.73849             7.08457
     C             2.69180             3.23653             7.06262
     C             2.74250             4.69179             6.85851
     C             4.14593             5.11053             6.71339
     C             4.96336             3.88176             6.84228
     C             3.76474             0.12058             4.54158
     C             3.25276             0.66862             5.81203
     C             4.32117             1.44236             6.44746
     C             5.52898             1.31209             5.56863
     C             5.16499             0.46995             4.42113
     C             0.39970             2.29047             4.43081
     C             0.68875             3.15373             5.57988
     C             1.65878             2.45735             6.43183
     C             1.91891             1.14903             5.82484
     C             1.15844             1.05955             4.58365
     C             1.28757             6.29913             3.91911
     C             2.08743             6.45737             5.15278
     C             1.74691             5.35909             6.05903
     C             0.73329             4.56358             5.39498
     C             0.41339             5.12532             4.11176
     C             5.34837             6.55845             3.62790
     C             5.66494             5.98455             4.94570
     C             4.48653             6.15593             5.79526
     C             3.45020             6.84771             5.01077
     C             3.97728             7.06814             3.65635
     C             6.93034             2.70393             4.03808
     C             6.42298             2.43519             5.37896
     C             6.10550             3.71660             5.99302
     C             6.46170             4.77823             5.04056
     C             6.91239             4.16214             3.80401
     C            13.03130             2.80395             2.44187
     C            13.22634             3.46994             3.63405
     C            14.01796             2.76462             1.41904
     H            13.90406             2.36499             0.40593
     C            15.25083             3.39364             1.65151
     H            16.01668             3.40809             0.90874
     C            15.41327             4.03903             2.85556
     H            16.38932             4.51032             3.01682
     C            14.46030             4.08759             3.87300
     H            14.70953             4.56390             4.81147
           70
 Energy:   -459.1741898156221    
     C             4.29002             2.29793             0.14991
     C             2.88886             1.91854             0.30419
     C             2.06569             3.14341             0.18004
     C             2.94995             4.28661            -0.01415
     C             4.35288             3.77101            -0.06475
     C             5.72988             0.73868             3.10072
     C             4.91180             0.53669             1.89222
     C             5.27091             1.62156             0.94595
     C             6.30928             2.44949             1.58398
     C             6.60365             1.90667             2.89973
     C             1.62526             0.45939             3.35621
     C             1.32179             1.00050             2.01136
     C             2.53278             0.83664             1.18117
     C             3.53527             0.14548             1.99287
     C             2.99282            -0.04966             3.35973
     C             0.05381             4.28595             2.99896
     C             0.58477             4.55412             1.63558
     C             0.91258             3.27148             1.01263
     C             0.54678             2.21295             1.95301
     C             0.06783             2.82709             3.16935
     C             3.16482             6.96363             2.46295
     C             3.69593             6.36063             1.21871
     C             2.65121             5.54176             0.59971
     C             1.46144             5.64744             1.46726
     C             1.78969             6.52334             2.60485
     C             6.61332             4.68976             2.55990
     C             6.30856             3.86410             1.40866
     C             5.32032             4.55649             0.59970
     C             5.03602             5.88357             1.21900
     C             5.89091             5.93488             2.42989
     C             4.03466             2.70952             7.09808
     C             2.66341             3.23714             7.04305
     C             2.72101             4.69160             6.82302
     C             4.13576             5.09036             6.75700
     C             4.97061             3.86666             6.88516
     C             3.78955             0.12109             4.52243
     C             3.28146             0.70490             5.75971
     C             4.35387             1.47096             6.44840
     C             5.52247             1.34658             5.56364
     C             5.19689             0.50805             4.39428
     C             0.33277             2.27809             4.44470
     C             0.62959             3.14501             5.57868
     C             1.63087             2.47474             6.42145
     C             1.94382             1.18197             5.78480
     C             1.15510             1.07261             4.54310
     C             1.27425             6.27886             3.89979
     C             2.11189             6.42712             5.10523
     C             1.75262             5.34333             6.02320
     C             0.67467             4.55327             5.40387
     C             0.37658             5.15453             4.08172
     C             5.38175             6.54362             3.61092
     C             5.67514             5.94312             4.93284
     C             4.49700             6.11885             5.80664
     C             3.47972             6.78774             4.98007
     C             3.99462             7.03887             3.62800
     C             6.99214             2.69806             4.01414
     C             6.42013             2.41247             5.35372
     C             6.10361             3.71074             6.00046
     C             6.45012             4.77411             5.04571
     C             6.97510             4.13589             3.82685
     C            13.20471             2.82756             2.38572
     C            13.40827             3.42572             3.61231
     C            14.16193             2.73818             1.36350
     H            13.92358             2.09621             0.50560
     C            15.33179             3.40459             1.64387
     H            16.11847             3.40234             0.92042
     C            15.59645             4.05157             2.85691
     H            16.56941             4.55242             3.04006
     C            14.63312             4.12145             3.84501
     H            14.78912             4.73388             4.72605
           70
 Energy:   -459.0977318442880    
     C             4.30774             2.30649             0.16760
     C             2.91477             1.93466             0.36098
     C             2.09960             3.13182             0.27263
     C             2.98736             4.28488            -0.00085
     C             4.33290             3.75962            -0.02290
     C             5.73001             0.76088             3.09111
     C             4.91932             0.56237             1.88981
     C             5.28178             1.63047             0.95327
     C             6.31985             2.45992             1.55507
     C             6.61952             1.88744             2.86811
     C             1.62966             0.47949             3.34838
     C             1.34619             1.04693             2.04257
     C             2.52972             0.85592             1.19659
     C             3.55929             0.18302             2.02730
     C             2.99804            -0.02108             3.34148
     C            -0.02630             4.28441             2.97661
     C             0.58483             4.55018             1.66102
     C             0.88914             3.27290             1.01545
     C             0.51585             2.19656             1.94283
     C            -0.04646             2.82576             3.18903
     C             3.18482             6.96302             2.46510
     C             3.72101             6.36599             1.23742
     C             2.65822             5.54879             0.62922
     C             1.46922             5.67072             1.46972
     C             1.76931             6.55658             2.59083
     C             6.66211             4.68648             2.58665
     C             6.31609             3.86166             1.44070
     C             5.35783             4.56087             0.58768
     C             5.05762             5.82535             1.24856
     C             5.88948             5.92028             2.44889
     C             4.04229             2.70841             7.06763
     C             2.64126             3.23813             7.02528
     C             2.72135             4.67745             6.81230
     C             4.13691             5.06954             6.75181
     C             4.95604             3.84475             6.89489
     C             3.83059             0.10751             4.51237
     C             3.29527             0.73686             5.73927
     C             4.36474             1.47787             6.38535
     C             5.55209             1.35052             5.54097
     C             5.20398             0.54117             4.39627
     C             0.26432             2.26250             4.46365
     C             0.57339             3.13480             5.59481
     C             1.60060             2.48022             6.39704
     C             1.95815             1.22631             5.72379
     C             1.11607             1.09353             4.53256
     C             1.24976             6.27952             3.88746
     C             2.11076             6.36811             5.04838
     C             1.72782             5.32133             5.99166
     C             0.61337             4.56245             5.40346
     C             0.33818             5.13637             4.08624
     C             5.40120             6.52231             3.62247
     C             5.67449             5.93584             4.92449
     C             4.50831             6.07296             5.78388
     C             3.47772             6.74104             4.94931
     C             4.04417             7.01953             3.62017
     C             7.00263             2.68973             4.00471
     C             6.43050             2.44734             5.34548
     C             6.09923             3.70299             6.01625
     C             6.45595             4.74546             5.04628
     C             7.03032             4.15304             3.85091
     C            13.31537             2.82692             2.35911
     C            13.61604             3.40257             3.57236
     C            14.28766             2.71332             1.34628
     H            14.14970             2.02898             0.49829
     C            15.48483             3.41292             1.60827
     H            16.25687             3.39288             0.83980
     C            15.76621             4.06684             2.83521
     H            16.75324             4.55985             2.97552
     C            14.77678             4.15255             3.83741
     H            14.79873             4.79084             4.72166
           70
 Energy:   -459.1410784721284    
     C             4.30276             2.32808             0.19040
     C             2.91913             1.93491             0.37402
     C             2.10091             3.14594             0.32707
     C             2.95952             4.27760             0.06107
     C             4.36193             3.78634             0.00248
     C             5.75039             0.75910             3.08533
     C             4.93784             0.61726             1.88325
     C             5.30843             1.65761             0.92900
     C             6.35205             2.43090             1.57266
     C             6.66823             1.87393             2.89182
     C             1.63610             0.50250             3.37945
     C             1.34477             1.06932             2.06657
     C             2.53496             0.88913             1.24955
     C             3.56742             0.22834             2.01889
     C             3.01452            -0.01946             3.37138
     C            -0.05966             4.29315             2.97115
     C             0.57561             4.56910             1.68437
     C             0.88421             3.27110             1.05121
     C             0.46996             2.20025             1.96918
     C            -0.14611             2.81949             3.14232
     C             3.22293             6.96028             2.47646
     C             3.76358             6.32836             1.25997
     C             2.67813             5.53779             0.64238
     C             1.44552             5.67647             1.46436
     C             1.78741             6.58851             2.57978
     C             6.73071             4.71876             2.56539
     C             6.38150             3.84644             1.43641
     C             5.39752             4.53025             0.60712
     C             5.07666             5.80436             1.26016
     C             5.89740             5.90290             2.46414
     C             4.03604             2.70866             7.00842
     C             2.66356             3.20651             7.00744
     C             2.70740             4.67827             6.80231
     C             4.13062             5.05687             6.69930
     C             4.95573             3.85137             6.84989
     C             3.81998             0.11420             4.51638
     C             3.27554             0.73582             5.69794
     C             4.35889             1.50232             6.33940
     C             5.57767             1.34613             5.52417
     C             5.22859             0.51628             4.36629
     C             0.17280             2.27152             4.45545
     C             0.50610             3.14855             5.61121
     C             1.60533             2.48468             6.37196
     C             1.95624             1.25519             5.68116
     C             1.08670             1.09783             4.53578
     C             1.20280             6.25657             3.85724
     C             2.10640             6.31128             5.02992
     C             1.70678             5.28479             5.98711
     C             0.57891             4.55067             5.40434
     C             0.27802             5.12047             4.07338
     C             5.41464             6.51772             3.64625
     C             5.70099             5.91508             4.94748
     C             4.48002             6.04614             5.74407
     C             3.46693             6.69851             4.93121
     C             4.03935             7.02230             3.64073
     C             6.98545             2.70585             4.01293
     C             6.44942             2.43961             5.35624
     C             6.10602             3.71042             6.00394
     C             6.48695             4.76505             5.07280
     C             7.05180             4.15263             3.84793
     C            13.41855             2.80260             2.34960
     C            13.77943             3.39638             3.54314
     C            14.45209             2.71765             1.36410
     H            14.38626             2.16410             0.43352
     C            15.65528             3.40537             1.58965
     H            16.44254             3.43969             0.80586
     C            15.89380             4.08565             2.78700
     H            16.87589             4.55535             2.92381
     C            14.94480             4.16020             3.77776
     H            15.03601             4.76150             4.68936
           70
 Energy:   -458.9856917582196    
     C             4.31046             2.34771             0.18994
     C             2.89571             1.96022             0.36638
     C             2.06810             3.14146             0.32798
     C             2.97889             4.27626             0.11981
     C             4.34520             3.79503             0.01420
     C             5.79148             0.73050             3.07215
     C             4.92615             0.63393             1.88141
     C             5.34801             1.67716             0.94035
     C             6.45053             2.44885             1.59932
     C             6.69914             1.86791             2.91886
     C             1.63693             0.50171             3.40054
     C             1.31730             1.06863             2.10163
     C             2.53346             0.94113             1.26902
     C             3.57007             0.25298             2.05175
     C             3.00179            -0.01978             3.35246
     C            -0.09319             4.28209             2.97536
     C             0.56151             4.57534             1.67609
     C             0.89563             3.28785             1.10506
     C             0.44812             2.20350             1.97113
     C            -0.19853             2.82502             3.15378
     C             3.22343             6.94403             2.47396
     C             3.75655             6.27702             1.28486
     C             2.67292             5.53935             0.67035
     C             1.46898             5.70740             1.45640
     C             1.79053             6.57294             2.59264
     C             6.80217             4.71922             2.54926
     C             6.49221             3.84978             1.41321
     C             5.42831             4.51141             0.64193
     C             5.11770             5.79643             1.26914
     C             5.93791             5.91030             2.47207
     C             4.05354             2.72509             6.95410
     C             2.66242             3.21655             6.97493
     C             2.69963             4.64274             6.79722
     C             4.09317             5.04391             6.65134
     C             4.94563             3.86048             6.76651
     C             3.83295             0.10289             4.49756
     C             3.27250             0.76087             5.68310
     C             4.34540             1.49391             6.30801
     C             5.55603             1.31642             5.51809
     C             5.23126             0.45297             4.37671
     C             0.10173             2.27083             4.43977
     C             0.47310             3.12069             5.61146
     C             1.59949             2.50762             6.34218
     C             1.92493             1.26117             5.68463
     C             1.03887             1.12339             4.52763
     C             1.20966             6.23233             3.85096
     C             2.07279             6.28603             5.02053
     C             1.68528             5.25692             5.97765
     C             0.54520             4.54322             5.39892
     C             0.23990             5.14180             4.08384
     C             5.42406             6.52987             3.64557
     C             5.68927             5.94605             4.96891
     C             4.46385             6.03539             5.73207
     C             3.43238             6.66803             4.93263
     C             4.03634             7.03059             3.65345
     C             6.99223             2.71517             4.02674
     C             6.46157             2.42339             5.35976
     C             6.14284             3.70886             5.99191
     C             6.55678             4.78850             5.07279
     C             7.03970             4.16892             3.84000
     C            13.62139             2.77929             2.34069
     C            13.87858             3.41623             3.54200
     C            14.61998             2.72986             1.34711
     H            14.33481             2.23138             0.43464
     C            15.80186             3.39427             1.58762
     H            16.56407             3.37038             0.77649
     C            16.05599             4.11628             2.72036
     H            16.98478             4.64688             2.89244
     C            15.08552             4.13670             3.72021
     H            15.33142             4.67514             4.64337
           70
 Energy:   -458.8238123108823    
     C             4.32905             2.32913             0.19269
     C             2.90027             1.96087             0.35356
     C             2.07960             3.17798             0.29085
     C             2.97620             4.28165             0.11920
     C             4.36108             3.78725             0.06688
     C             5.81111             0.69009             3.10166
     C             4.95425             0.63378             1.90764
     C             5.37054             1.72285             0.97885
     C             6.51394             2.44344             1.57776
     C             6.71707             1.84808             2.92522
     C             1.59058             0.48662             3.38739
     C             1.30205             1.07157             2.09141
     C             2.51033             0.96009             1.28460
     C             3.54966             0.29336             2.04726
     C             2.97086            -0.02549             3.35553
     C            -0.12493             4.32455             2.98060
     C             0.55889             4.60049             1.69868
     C             0.90757             3.29075             1.09787
     C             0.44607             2.21613             1.99263
     C            -0.19603             2.83261             3.17172
     C             3.20368             6.91918             2.49201
     C             3.77855             6.26431             1.31815
     C             2.67562             5.52747             0.68788
     C             1.43477             5.69281             1.47602
     C             1.79069             6.53671             2.61069
     C             6.85338             4.74176             2.56026
     C             6.57849             3.88711             1.38512
     C             5.44263             4.50979             0.63364
     C             5.12317             5.78407             1.29524
     C             6.00696             5.93519             2.46969
     C             4.04356             2.72386             6.91129
     C             2.64980             3.20054             6.93811
     C             2.67126             4.65249             6.76213
     C             4.07563             5.02745             6.63275
     C             4.93420             3.86100             6.68717
     C             3.80161             0.06880             4.48749
     C             3.23678             0.76796             5.65258
     C             4.34407             1.48710             6.30666
     C             5.56694             1.30088             5.50768
     C             5.25581             0.40689             4.38055
     C             0.09702             2.24330             4.48216
     C             0.45903             3.13063             5.58248
     C             1.56639             2.51007             6.32892
     C             1.88930             1.24722             5.69123
     C             1.02448             1.09971             4.52801
     C             1.21681             6.21468             3.87501
     C             2.06059             6.28918             5.04533
     C             1.65907             5.24596             5.97267
     C             0.50370             4.52923             5.39867
     C             0.22567             5.14921             4.08641
     C             5.42338             6.55068             3.64037
     C             5.70989             5.96988             4.95815
     C             4.44817             6.05888             5.74811
     C             3.42305             6.67963             4.92179
     C             4.02750             7.02292             3.63348
     C             7.01932             2.70742             4.02833
     C             6.44490             2.41581             5.34768
     C             6.18250             3.72554             5.99770
     C             6.56115             4.82485             5.07002
     C             7.06229             4.16404             3.84635
     C            13.84300             2.75549             2.37143
     C            13.99629             3.46170             3.52761
     C            14.74582             2.72673             1.29475
     H            14.55891             2.25699             0.33443
     C            15.97460             3.37339             1.51257
     H            16.79898             3.30105             0.76842
     C            16.19816             4.14084             2.68843
     H            17.10093             4.72070             2.75256
     C            15.24028             4.12435             3.71262
     H            15.40399             4.58916             4.69293
           70
 Energy:   -458.7909503536440    
     C             4.33536             2.32502             0.23583
     C             2.90974             1.95183             0.33602
     C             2.09064             3.16248             0.26196
     C             3.01558             4.29819             0.06507
     C             4.38450             3.77914             0.10070
     C             5.82911             0.69346             3.10757
     C             4.95144             0.64830             1.93258
     C             5.35339             1.70586             1.01498
     C             6.51402             2.44289             1.57960
     C             6.76260             1.83216             2.91505
     C             1.53976             0.44832             3.35532
     C             1.27977             1.07892             2.06106
     C             2.50242             0.96900             1.25040
     C             3.55745             0.32164             2.04507
     C             2.94048            -0.03287             3.34122
     C            -0.13497             4.32214             2.98416
     C             0.53963             4.56752             1.70226
     C             0.89409             3.31377             1.07824
     C             0.47836             2.25054             2.00034
     C            -0.15211             2.85488             3.20054
     C             3.19354             6.89275             2.50902
     C             3.76592             6.26860             1.33580
     C             2.67850             5.52646             0.69869
     C             1.44456             5.67449             1.49624
     C             1.78317             6.51321             2.63746
     C             6.89705             4.77398             2.56008
     C             6.59112             3.88638             1.37776
     C             5.48499             4.53673             0.64560
     C             5.12984             5.78365             1.32788
     C             6.01550             5.97198             2.46737
     C             4.00940             2.71302             6.87574
     C             2.62613             3.20270             6.90669
     C             2.66756             4.63618             6.73882
     C             4.08308             5.05667             6.61018
     C             4.90857             3.84236             6.68141
     C             3.78490             0.05156             4.50404
     C             3.23422             0.74262             5.64924
     C             4.32619             1.46082             6.28229
     C             5.57176             1.29654             5.51342
     C             5.22691             0.37846             4.39992
     C             0.11823             2.23448             4.45466
     C             0.45960             3.12950             5.58455
     C             1.53976             2.47502             6.34272
     C             1.87995             1.21231             5.68804
     C             0.99730             1.04035             4.54490
     C             1.19837             6.22709             3.89543
     C             2.06881             6.31118             5.07308
     C             1.62351             5.27078             5.99213
     C             0.49580             4.56028             5.39756
     C             0.22386             5.15457             4.09701
     C             5.43909             6.56725             3.62302
     C             5.70387             5.98838             4.95768
     C             4.47853             6.11032             5.74131
     C             3.43793             6.72305             4.92735
     C             4.02464             7.00438             3.63875
     C             7.03384             2.70034             4.02091
     C             6.44683             2.44444             5.33429
     C             6.15427             3.73702             5.98903
     C             6.54172             4.80393             5.05892
     C             7.11990             4.16295             3.85304
     C            14.01437             2.70573             2.36085
     C            14.17906             3.51049             3.49352
     C            14.92643             2.73425             1.25127
     H            14.71050             2.21329             0.31459
     C            16.14191             3.37907             1.46432
     H            16.93186             3.26747             0.71590
     C            16.29186             4.11497             2.63547
     H            17.16867             4.72320             2.74160
     C            15.41736             4.14550             3.73634
     H            15.63809             4.63819             4.69194
           70
 Energy:   -458.9223098583686    
     C             4.32570             2.35555             0.29033
     C             2.91666             1.96705             0.31535
     C             2.08031             3.16432             0.23391
     C             3.02690             4.29328             0.03788
     C             4.43020             3.79333             0.08769
     C             5.81307             0.70697             3.12510
     C             4.92026             0.65793             1.96782
     C             5.34273             1.68083             1.02209
     C             6.46430             2.44649             1.60694
     C             6.79406             1.82732             2.91129
     C             1.52265             0.40654             3.33221
     C             1.28084             1.06629             2.03200
     C             2.51772             0.93868             1.22893
     C             3.53691             0.31363             2.06337
     C             2.94534            -0.03379             3.33078
     C            -0.09525             4.30026             2.99695
     C             0.53543             4.59649             1.66795
     C             0.90696             3.30446             1.04832
     C             0.51171             2.26562             1.98382
     C            -0.08580             2.85649             3.16316
     C             3.19354             6.88215             2.52718
     C             3.75554             6.25799             1.32874
     C             2.68694             5.51304             0.67910
     C             1.47230             5.63905             1.50994
     C             1.78335             6.50980             2.64010
     C             6.91871             4.78095             2.54466
     C             6.56135             3.87225             1.43450
     C             5.47843             4.55082             0.66691
     C             5.11908             5.81290             1.31737
     C             6.00744             5.96632             2.47725
     C             3.97673             2.70518             6.85648
     C             2.61408             3.20133             6.89135
     C             2.67173             4.65400             6.72938
     C             4.07617             5.05992             6.60166
     C             4.88537             3.84967             6.72185
     C             3.77218             0.03594             4.47577
     C             3.23448             0.69014             5.67757
     C             4.30289             1.47101             6.28391
     C             5.54420             1.30213             5.51544
     C             5.22438             0.40703             4.38030
     C             0.15610             2.24737             4.43872
     C             0.47114             3.11180             5.58798
     C             1.54425             2.42981             6.35681
     C             1.87924             1.15842             5.69627
     C             0.95931             1.00007             4.52372
     C             1.19149             6.27402             3.91324
     C             2.06267             6.36118             5.07716
     C             1.64695             5.32455             6.03407
     C             0.51518             4.54629             5.42834
     C             0.22285             5.16536             4.09932
     C             5.43911             6.57872             3.64964
     C             5.72589             5.97972             4.94013
     C             4.49820             6.13192             5.76769
     C             3.44615             6.76144             4.96823
     C             4.04305             7.02007             3.64647
     C             7.05851             2.71498             4.01594
     C             6.42901             2.42426             5.33688
     C             6.07542             3.71205             5.94031
     C             6.51408             4.79822             5.03329
     C             7.15182             4.19038             3.84044
     C            14.19252             2.70809             2.33012
     C            14.35843             3.49661             3.44481
     C            15.08862             2.70564             1.25292
     H            14.79568             2.17080             0.34361
     C            16.26562             3.39484             1.44209
     H            17.05324             3.41608             0.70957
     C            16.45818             4.12024             2.62386
     H            17.39028             4.67267             2.67433
     C            15.57543             4.16113             3.68789
     H            15.89647             4.68888             4.57870
           70
 Energy:   -459.0865498674291    
     C             4.33299             2.36733             0.28925
     C             2.91678             1.96420             0.34434
     C             2.10291             3.17977             0.19249
     C             3.01051             4.29123             0.02987
     C             4.39244             3.80540             0.05525
     C             5.80075             0.73411             3.12476
     C             4.90629             0.65508             1.97635
     C             5.32183             1.69699             1.03899
     C             6.42749             2.44507             1.63373
     C             6.75117             1.83361             2.92828
     C             1.53238             0.39565             3.31993
     C             1.30459             1.02571             2.00845
     C             2.52147             0.92004             1.21546
     C             3.53388             0.28273             2.04519
     C             2.92759            -0.04500             3.34179
     C            -0.01339             4.32698             2.97196
     C             0.55007             4.58484             1.64266
     C             0.91354             3.31324             1.01291
     C             0.54822             2.22293             1.93055
     C            -0.02384             2.83841             3.14180
     C             3.21725             6.88473             2.52240
     C             3.76825             6.26531             1.32137
     C             2.69490             5.50835             0.67491
     C             1.49490             5.65107             1.49425
     C             1.79939             6.51101             2.62839
     C             6.88219             4.78227             2.56403
     C             6.48358             3.87927             1.47503
     C             5.45686             4.54016             0.68419
     C             5.13256             5.82929             1.30554
     C             5.99714             5.96091             2.49166
     C             3.97606             2.72605             6.88640
     C             2.60055             3.21508             6.89110
     C             2.67364             4.67243             6.75131
     C             4.07605             5.04531             6.64225
     C             4.88082             3.84537             6.72902
     C             3.80057             0.04180             4.47908
     C             3.21661             0.63009             5.68723
     C             4.28864             1.46135             6.29671
     C             5.50137             1.31122             5.50078
     C             5.20398             0.45039             4.38683
     C             0.18750             2.24759             4.42080
     C             0.52130             3.09265             5.58463
     C             1.55518             2.40374             6.34690
     C             1.83995             1.09752             5.69624
     C             0.98854             0.99961             4.50845
     C             1.18470             6.30703             3.91195
     C             2.05664             6.42661             5.10326
     C             1.65272             5.36130             6.02556
     C             0.56486             4.54715             5.44965
     C             0.25910             5.15953             4.12800
     C             5.44016             6.56869             3.64955
     C             5.71249             5.98184             4.97074
     C             4.50064             6.10926             5.79985
     C             3.46200             6.79655             4.99050
     C             4.03896             7.06277             3.67642
     C             7.09236             2.70817             4.02692
     C             6.39594             2.41118             5.29916
     C             6.01652             3.70446             5.88661
     C             6.48770             4.77599             5.01913
     C             7.13979             4.18857             3.84919
     C            14.31779             2.72212             2.30956
     C            14.52262             3.46218             3.44182
     C            15.23905             2.65444             1.24647
     H            15.03757             2.13040             0.29986
     C            16.39594             3.43097             1.42619
     H            17.06609             3.48535             0.59600
     C            16.69439             4.13992             2.59411
     H            17.64794             4.67506             2.75096
     C            15.72722             4.18018             3.60379
     H            15.85239             4.68164             4.55400
           70
 Energy:   -459.1249722500008    
     C             4.31576             2.35789             0.23426
     C             2.92635             1.97271             0.36298
     C             2.09334             3.15375             0.18808
     C             2.99823             4.31945             0.00618
     C             4.36352             3.80860             0.04560
     C             5.76412             0.73757             3.13578
     C             4.91857             0.64831             1.94304
     C             5.29748             1.72800             1.05699
     C             6.40798             2.47241             1.65409
     C             6.70002             1.86538             2.93917
     C             1.55997             0.41342             3.31804
     C             1.30208             0.98987             1.99345
     C             2.53503             0.89578             1.21300
     C             3.55165             0.22702             2.02974
     C             2.96604            -0.07369             3.33490
     C             0.06396             4.29465             2.97163
     C             0.61899             4.57605             1.62318
     C             0.92167             3.29531             0.96079
     C             0.55455             2.21630             1.88600
     C             0.02635             2.85037             3.12382
     C             3.23854             6.90868             2.52545
     C             3.79799             6.28923             1.31616
     C             2.71421             5.53750             0.68569
     C             1.48373             5.68714             1.46497
     C             1.82003             6.52140             2.63421
     C             6.79905             4.75049             2.60522
     C             6.42526             3.86850             1.48913
     C             5.39837             4.53623             0.67377
     C             5.14588             5.82489             1.30179
     C             5.98328             5.97732             2.49110
     C             3.97544             2.69117             6.92893
     C             2.60215             3.21115             6.91488
     C             2.65984             4.67949             6.78807
     C             4.08499             5.06607             6.70059
     C             4.88122             3.82910             6.71012
     C             3.77347             0.03800             4.49001
     C             3.19984             0.61954             5.71203
     C             4.24992             1.44026             6.32601
     C             5.47950             1.34791             5.50102
     C             5.17353             0.45944             4.38333
     C             0.23456             2.23697             4.40253
     C             0.56444             3.11703             5.54191
     C             1.58516             2.39663             6.33607
     C             1.84620             1.07755             5.72301
     C             1.02410             1.01616             4.48825
     C             1.21160             6.31908             3.91633
     C             2.05672             6.47652             5.12191
     C             1.67454             5.35700             6.03843
     C             0.61709             4.54893             5.41173
     C             0.33080             5.14276             4.10091
     C             5.41349             6.57157             3.67942
     C             5.68928             5.97047             4.99233
     C             4.46948             6.10365             5.80092
     C             3.45234             6.80818             5.02389
     C             4.04702             7.08948             3.68396
     C             7.08268             2.67623             4.03209
     C             6.35753             2.44217             5.27591
     C             6.00721             3.69172             5.87211
     C             6.45266             4.77061             5.03049
     C             7.11125             4.15464             3.86458
     C            14.40598             2.70053             2.27182
     C            14.69550             3.42800             3.42284
     C            15.40612             2.65546             1.26032
     H            15.28083             2.04226             0.36259
     C            16.54918             3.45436             1.37847
     H            17.21881             3.56127             0.54344
     C            16.85794             4.13634             2.56342
     H            17.84580             4.63041             2.70130
     C            15.89007             4.21234             3.57231
     H            16.05225             4.83323             4.45150
           70
 Energy:   -459.1590356926850    
     C             4.31483             2.36009             0.20197
     C             2.91572             1.94515             0.34118
     C             2.10212             3.16022             0.17504
     C             2.97401             4.31355            -0.00125
     C             4.36155             3.80064             0.01770
     C             5.73753             0.73948             3.11647
     C             4.92163             0.62740             1.91417
     C             5.28408             1.74408             1.01693
     C             6.35411             2.47899             1.65305
     C             6.66706             1.85020             2.93896
     C             1.61518             0.41501             3.31491
     C             1.30234             1.00469             1.98368
     C             2.56147             0.86785             1.20094
     C             3.57850             0.18110             2.00624
     C             2.97448            -0.09992             3.30777
     C             0.14808             4.27011             2.94680
     C             0.67113             4.56812             1.62865
     C             0.90306             3.27958             0.95079
     C             0.53074             2.20832             1.88477
     C             0.06577             2.81858             3.09760
     C             3.24364             6.94477             2.53189
     C             3.78943             6.33387             1.33020
     C             2.72716             5.57603             0.65084
     C             1.51176             5.73292             1.46617
     C             1.83713             6.55934             2.63207
     C             6.71927             4.71740             2.61542
     C             6.39580             3.88510             1.48260
     C             5.39267             4.54877             0.68660
     C             5.11786             5.84845             1.29328
     C             5.95880             5.97124             2.51581
     C             3.96471             2.68505             6.95886
     C             2.61683             3.19119             6.97281
     C             2.67750             4.66048             6.84750
     C             4.07854             5.06003             6.72675
     C             4.85724             3.81660             6.73749
     C             3.74026             0.02108             4.51818
     C             3.20053             0.61802             5.73225
     C             4.25848             1.42644             6.35378
     C             5.43038             1.34534             5.50864
     C             5.13885             0.45585             4.39407
     C             0.28679             2.26537             4.36766
     C             0.61645             3.12068             5.49353
     C             1.58909             2.43944             6.33304
     C             1.85892             1.12168             5.73124
     C             1.06693             1.01474             4.50668
     C             1.26606             6.31293             3.91182
     C             2.04869             6.45638             5.15214
     C             1.68824             5.35790             6.04382
     C             0.67025             4.54128             5.34569
     C             0.42048             5.13510             4.03577
     C             5.41591             6.57935             3.69197
     C             5.64817             5.94911             4.98183
     C             4.44522             6.11215             5.82271
     C             3.43491             6.83078             5.01092
     C             4.03091             7.09068             3.71261
     C             7.01548             2.69446             4.05054
     C             6.33077             2.42135             5.31144
     C             6.00969             3.70384             5.92708
     C             6.45258             4.76938             5.04589
     C             7.06421             4.15219             3.87204
     C            14.56980             2.70622             2.25789
     C            14.88663             3.42052             3.38683
     C            15.55943             2.66657             1.24340
     H            15.43186             1.93548             0.44933
     C            16.70142             3.46131             1.34596
     H            17.42069             3.52747             0.53055
     C            16.96285             4.12506             2.52701
     H            17.94311             4.62636             2.60836
     C            16.03761             4.21643             3.55486
     H            16.22555             4.93002             4.35220
           70
 Energy:   -459.0966000359945    
     C             4.30868             2.35612             0.18439
     C             2.91352             1.93788             0.27245
     C             2.07823             3.14355             0.16882
     C             2.99802             4.32585             0.01501
     C             4.36518             3.82598            -0.00394
     C             5.71461             0.71436             3.11700
     C             4.92049             0.60860             1.87693
     C             5.28731             1.67970             0.98466
     C             6.32677             2.47761             1.64108
     C             6.63677             1.85915             2.93947
     C             1.61148             0.42437             3.31440
     C             1.36818             1.00857             2.00033
     C             2.54855             0.86485             1.16437
     C             3.56391             0.16072             1.97843
     C             2.98202            -0.12303             3.31387
     C             0.19949             4.26491             2.92968
     C             0.71231             4.57586             1.61263
     C             0.91139             3.28831             0.94688
     C             0.53044             2.16924             1.84916
     C             0.06733             2.83064             3.08521
     C             3.23683             6.98931             2.53093
     C             3.77356             6.38214             1.30443
     C             2.72044             5.60610             0.61740
     C             1.53178             5.72045             1.47219
     C             1.84864             6.61856             2.61653
     C             6.69794             4.73283             2.62001
     C             6.37749             3.88352             1.47837
     C             5.37762             4.58200             0.65429
     C             5.10698             5.87780             1.31717
     C             5.90542             5.94761             2.52048
     C             3.97675             2.68126             6.98277
     C             2.58853             3.20068             7.03980
     C             2.64389             4.66232             6.88229
     C             4.06093             5.03918             6.71944
     C             4.86454             3.82723             6.80623
     C             3.73956            -0.00524             4.51021
     C             3.18971             0.62542             5.76666
     C             4.25634             1.42376             6.37730
     C             5.43037             1.30554             5.51250
     C             5.11541             0.45290             4.37708
     C             0.34992             2.24821             4.35613
     C             0.65842             3.14490             5.46378
     C             1.58846             2.46592             6.34184
     C             1.88642             1.17559             5.73802
     C             1.10229             1.02533             4.49736
     C             1.31662             6.30460             3.89672
     C             2.07462             6.43529             5.14408
     C             1.69524             5.31303             6.05491
     C             0.72416             4.53230             5.31016
     C             0.50098             5.11424             4.00877
     C             5.39024             6.58233             3.69661
     C             5.62771             5.93292             4.99754
     C             4.43375             6.11038             5.83555
     C             3.43131             6.82789             5.04406
     C             4.02570             7.09931             3.70383
     C             6.91888             2.69455             4.05110
     C             6.32070             2.41243             5.37635
     C             6.03049             3.70064             6.01057
     C             6.44518             4.77576             5.09372
     C             6.99152             4.15779             3.88201
     C            14.79515             2.73186             2.25154
     C            15.03056             3.43834             3.40462
     C            15.69531             2.64456             1.17597
     H            15.58565             1.93729             0.35895
     C            16.83244             3.42662             1.31626
     H            17.56650             3.38621             0.49725
     C            17.10016             4.15784             2.48529
     H            18.02287             4.73324             2.60994
     C            16.18688             4.21241             3.52601
     H            16.22303             4.83656             4.41442
           70
 Energy:   -458.8791945068231    
     C             4.33044             2.35249             0.15688
     C             2.90829             1.93170             0.21872
     C             2.11609             3.16794             0.12920
     C             2.98224             4.33174             0.02243
     C             4.37076             3.81904             0.00809
     C             5.70339             0.69948             3.08613
     C             4.90548             0.54202             1.87722
     C             5.29962             1.65268             0.94420
     C             6.32894             2.45217             1.61896
     C             6.56398             1.86770             2.93972
     C             1.62576             0.41428             3.30790
     C             1.36794             1.03456             1.99184
     C             2.55600             0.86998             1.13699
     C             3.54320             0.15812             1.95595
     C             2.96402            -0.13151             3.30277
     C             0.19710             4.27718             2.92329
     C             0.71580             4.55402             1.60941
     C             0.93599             3.27581             0.92229
     C             0.55145             2.18689             1.84125
     C             0.06453             2.82377             3.07126
     C             3.24549             7.04543             2.47841
     C             3.78520             6.43401             1.25247
     C             2.72291             5.61847             0.63153
     C             1.53532             5.72636             1.46776
     C             1.82392             6.62814             2.58415
     C             6.69839             4.74945             2.62368
     C             6.35637             3.89053             1.46440
     C             5.38719             4.62199             0.62854
     C             5.08239             5.87552             1.30011
     C             5.86607             5.95473             2.54106
     C             3.96115             2.68512             7.03669
     C             2.58524             3.20263             7.08657
     C             2.63598             4.66792             6.89648
     C             4.03223             5.04535             6.72735
     C             4.88001             3.84105             6.87522
     C             3.73412            -0.00125             4.53186
     C             3.20930             0.60821             5.75362
     C             4.26232             1.42002             6.37946
     C             5.46971             1.28408             5.54329
     C             5.12786             0.44165             4.37603
     C             0.35842             2.27283             4.33344
     C             0.66815             3.12769             5.45644
     C             1.59200             2.46310             6.36393
     C             1.90137             1.16538             5.73212
     C             1.14405             1.05342             4.49746
     C             1.34486             6.29796             3.88712
     C             2.10278             6.41484             5.14169
     C             1.69983             5.33133             6.02153
     C             0.74097             4.51838             5.30854
     C             0.54807             5.10057             4.01076
     C             5.36227             6.54285             3.71884
     C             5.63315             5.95453             5.02468
     C             4.43907             6.07583             5.84273
     C             3.46383             6.82898             5.05817
     C             4.00916             7.12059             3.72483
     C             6.83466             2.70070             4.07427
     C             6.32512             2.41381             5.39995
     C             6.07513             3.68920             6.08961
     C             6.41765             4.76549             5.15661
     C             6.90724             4.14308             3.91407
     C            14.97531             2.71646             2.23801
     C            15.14371             3.43552             3.40346
     C            15.84451             2.63185             1.13466
     H            15.62410             2.05857             0.23764
     C            17.01093             3.38832             1.28968
     H            17.80707             3.38934             0.51637
     C            17.23348             4.20095             2.42725
     H            18.14985             4.77688             2.41245
     C            16.33769             4.23190             3.52673
     H            16.61669             4.80935             4.42201
           70
 Energy:   -458.7335939392337    
     C             4.34074             2.33943             0.12061
     C             2.94142             1.93683             0.20211
     C             2.11635             3.16963             0.09106
     C             3.01985             4.34275             0.01691
     C             4.37146             3.83010             0.02630
     C             5.68074             0.68636             3.09689
     C             4.92257             0.52602             1.82889
     C             5.29853             1.62751             0.92436
     C             6.32629             2.46507             1.60268
     C             6.50005             1.88865             2.95080
     C             1.61254             0.43673             3.28526
     C             1.33887             1.03755             1.96090
     C             2.55067             0.89304             1.13389
     C             3.54075             0.14007             1.96398
     C             2.97952            -0.12145             3.29189
     C             0.15319             4.26281             2.91207
     C             0.70873             4.56683             1.58994
     C             0.96586             3.28355             0.90836
     C             0.57747             2.23770             1.85075
     C             0.06249             2.83825             3.05756
     C             3.23800             7.10534             2.47032
     C             3.77455             6.46054             1.21724
     C             2.73334             5.59730             0.63751
     C             1.51743             5.72247             1.44143
     C             1.84204             6.62646             2.57670
     C             6.65881             4.72361             2.64414
     C             6.38033             3.88775             1.46518
     C             5.40663             4.58623             0.63437
     C             5.09764             5.89229             1.27541
     C             5.85899             5.95341             2.52537
     C             3.97616             2.66692             7.08745
     C             2.58049             3.19687             7.07951
     C             2.63976             4.66972             6.87416
     C             4.06267             5.04509             6.77671
     C             4.86774             3.82674             6.92666
     C             3.75472             0.01215             4.48737
     C             3.23128             0.61970             5.74418
     C             4.28012             1.43228             6.39310
     C             5.48191             1.27470             5.57796
     C             5.16742             0.42036             4.40666
     C             0.35661             2.27379             4.34036
     C             0.64556             3.11837             5.50246
     C             1.59776             2.41330             6.37547
     C             1.90603             1.12849             5.73358
     C             1.15015             1.07141             4.46030
     C             1.35980             6.28753             3.87736
     C             2.11261             6.43217             5.12124
     C             1.71953             5.33854             6.03434
     C             0.73484             4.52786             5.32457
     C             0.51471             5.09386             3.99987
     C             5.34926             6.52590             3.73658
     C             5.65215             5.94936             5.06526
     C             4.44231             6.08248             5.85109
     C             3.45817             6.82945             5.05529
     C             4.00535             7.12036             3.70755
     C             6.77628             2.70650             4.06626
     C             6.33166             2.40083             5.43003
     C             6.08102             3.68146             6.15639
     C             6.41062             4.75900             5.17674
     C             6.83746             4.15197             3.92866
     C            15.10461             2.66913             2.23406
     C            15.33168             3.45987             3.36698
     C            16.02745             2.66158             1.13736
     H            15.69424             2.19795             0.21650
     C            17.20542             3.37076             1.27113
     H            17.95142             3.32248             0.45493
     C            17.34255             4.21117             2.36403
     H            18.17781             4.88069             2.43405
     C            16.50726             4.22882             3.48208
     H            16.83915             4.74100             4.40031
           70
 Energy:   -458.7398363605557    
     C             4.35477             2.34544             0.10835
     C             2.93622             1.94121             0.21539
     C             2.12746             3.16571             0.08275
     C             3.04093             4.32278            -0.00162
     C             4.41650             3.79557             0.01744
     C             5.67622             0.70573             3.09663
     C             4.93431             0.53000             1.82818
     C             5.32012             1.65007             0.90537
     C             6.29230             2.45106             1.62545
     C             6.48027             1.90936             2.94742
     C             1.61204             0.45790             3.25121
     C             1.34648             1.02950             1.93594
     C             2.55871             0.90046             1.13721
     C             3.56191             0.16347             1.91601
     C             2.97758            -0.07728             3.27284
     C             0.10954             4.31024             2.88871
     C             0.67023             4.59715             1.57066
     C             0.97167             3.32593             0.92617
     C             0.59717             2.23057             1.83850
     C             0.06793             2.84311             3.08449
     C             3.23432             7.09226             2.46541
     C             3.79337             6.44468             1.23888
     C             2.73679             5.59441             0.61865
     C             1.54421             5.73626             1.43841
     C             1.84643             6.61475             2.57960
     C             6.60009             4.70259             2.65473
     C             6.41394             3.87293             1.48155
     C             5.42162             4.57544             0.65690
     C             5.12485             5.90349             1.24961
     C             5.87507             5.93876             2.52463
     C             3.97340             2.65301             7.10173
     C             2.59828             3.16579             7.03117
     C             2.68151             4.63959             6.86169
     C             4.09005             5.04590             6.81191
     C             4.89690             3.80423             6.96336
     C             3.78988             0.03946             4.49043
     C             3.23532             0.64124             5.71647
     C             4.27489             1.41873             6.41213
     C             5.48883             1.25974             5.59745
     C             5.19305             0.40230             4.41767
     C             0.33733             2.28872             4.36451
     C             0.61716             3.11464             5.54869
     C             1.58597             2.38666             6.38430
     C             1.88653             1.10924             5.70104
     C             1.12964             1.05775             4.45642
     C             1.32968             6.26127             3.85668
     C             2.07325             6.43419             5.11750
     C             1.71870             5.34185             6.02622
     C             0.69970             4.52987             5.34996
     C             0.45553             5.11058             4.01626
     C             5.38726             6.53240             3.70963
     C             5.63122             5.95391             5.06202
     C             4.42894             6.11828             5.89731
     C             3.44966             6.82986             5.03257
     C             4.03152             7.09948             3.69691
     C             6.74821             2.71978             4.08797
     C             6.33847             2.39908             5.45370
     C             6.06495             3.67524             6.14688
     C             6.40973             4.75337             5.19760
     C             6.81136             4.14027             3.93434
     C            15.27074             2.65462             2.24186
     C            15.50998             3.45091             3.30442
     C            16.15757             2.66868             1.14913
     H            15.93547             2.19550             0.19405
     C            17.36062             3.37913             1.25600
     H            18.13053             3.32004             0.47611
     C            17.52956             4.24421             2.33214
     H            18.35692             4.93431             2.26659
     C            16.67895             4.20606             3.41409
     H            16.82429             4.73021             4.36160
           70
 Energy:   -458.9970032671134    
     C             4.35512             2.31559             0.12660
     C             2.93640             1.95403             0.22434
     C             2.13619             3.18954             0.13529
     C             3.05967             4.31871            -0.02287
     C             4.43284             3.79664            -0.01218
     C             5.69844             0.72637             3.09748
     C             4.94693             0.56723             1.83382
     C             5.33384             1.64588             0.92576
     C             6.30362             2.47826             1.65177
     C             6.49903             1.91091             2.97765
     C             1.62778             0.46801             3.26448
     C             1.37255             1.04302             1.92383
     C             2.57569             0.89235             1.09622
     C             3.56688             0.20039             1.91738
     C             3.01976            -0.02693             3.26269
     C             0.07102             4.33395             2.90510
     C             0.64230             4.64378             1.57416
     C             0.96901             3.33509             0.92695
     C             0.58996             2.24984             1.85093
     C             0.07783             2.87059             3.07187
     C             3.26628             6.99995             2.48863
     C             3.82407             6.39276             1.25700
     C             2.77674             5.59719             0.60271
     C             1.54721             5.72765             1.43587
     C             1.84030             6.58800             2.58233
     C             6.62038             4.68111             2.67937
     C             6.37704             3.87099             1.49369
     C             5.44498             4.57994             0.62988
     C             5.15667             5.87936             1.26904
     C             5.89441             5.93779             2.51684
     C             3.99025             2.63439             7.06635
     C             2.62735             3.15416             6.98550
     C             2.67516             4.61380             6.82842
     C             4.09467             5.04434             6.81325
     C             4.92035             3.80496             6.97544
     C             3.76024             0.05364             4.48107
     C             3.20840             0.65286             5.68623
     C             4.26551             1.37855             6.40678
     C             5.51164             1.24428             5.61401
     C             5.19651             0.42228             4.40105
     C             0.30174             2.29168             4.37580
     C             0.59020             3.10962             5.55108
     C             1.56861             2.39362             6.37473
     C             1.87979             1.12527             5.68666
     C             1.07584             1.05009             4.45265
     C             1.27893             6.27034             3.87188
     C             2.06492             6.41874             5.09757
     C             1.71705             5.30290             6.02569
     C             0.64499             4.52496             5.37331
     C             0.38830             5.12108             4.05088
     C             5.39969             6.55115             3.72175
     C             5.62476             5.96311             5.05057
     C             4.43099             6.14139             5.90034
     C             3.42291             6.82343             5.02142
     C             4.04022             7.07886             3.69109
     C             6.77158             2.68872             4.10722
     C             6.32265             2.39647             5.44414
     C             6.06358             3.66843             6.11541
     C             6.37505             4.77193             5.18474
     C             6.82521             4.13694             3.95833
     C            15.42544             2.61992             2.19278
     C            15.66455             3.43661             3.29612
     C            16.31528             2.64458             1.10422
     H            16.08847             2.02030             0.23216
     C            17.46868             3.40225             1.24255
     H            18.20735             3.30207             0.46076
     C            17.75327             4.27061             2.30225
     H            18.59994             4.97253             2.29307
     C            16.85452             4.23450             3.39134
     H            17.03100             4.89202             4.24223
           70
 Energy:   -459.0693365953733    
     C             4.36735             2.33475             0.14064
     C             2.94917             1.97041             0.22560
     C             2.16245             3.20892             0.18459
     C             3.07071             4.34772            -0.02269
     C             4.43362             3.80601            -0.04702
     C             5.70905             0.71542             3.10984
     C             4.95394             0.58569             1.86517
     C             5.34858             1.66743             0.96082
     C             6.33689             2.47427             1.66045
     C             6.56346             1.90063             2.97700
     C             1.64846             0.49180             3.26410
     C             1.36480             1.08500             1.94458
     C             2.55846             0.87730             1.09044
     C             3.59624             0.23153             1.94752
     C             3.01239             0.00800             3.25875
     C             0.05760             4.32600             2.92530
     C             0.62551             4.62426             1.59016
     C             0.94605             3.35777             0.94287
     C             0.59792             2.28409             1.86554
     C             0.05708             2.88814             3.08373
     C             3.27691             6.88847             2.51432
     C             3.84052             6.33699             1.28084
     C             2.77922             5.57788             0.61480
     C             1.55502             5.72143             1.40364
     C             1.86435             6.54646             2.60879
     C             6.67050             4.70467             2.67062
     C             6.35591             3.87803             1.51718
     C             5.45897             4.57905             0.59674
     C             5.17129             5.85001             1.28406
     C             5.93461             5.94413             2.56563
     C             4.01718             2.63090             7.00893
     C             2.62759             3.14860             6.95295
     C             2.67731             4.60193             6.79109
     C             4.07095             5.04705             6.77533
     C             4.90292             3.81069             6.93668
     C             3.77036             0.07545             4.45464
     C             3.19489             0.64817             5.68512
     C             4.27878             1.35696             6.38816
     C             5.49237             1.21156             5.59760
     C             5.15699             0.43993             4.39767
     C             0.25191             2.28331             4.33419
     C             0.55438             3.11254             5.52644
     C             1.57012             2.42075             6.34014
     C             1.85125             1.15369             5.68308
     C             1.04802             1.05385             4.45338
     C             1.23153             6.29721             3.88838
     C             2.07118             6.36376             5.10473
     C             1.69246             5.27563             5.99697
     C             0.60331             4.53226             5.38528
     C             0.32230             5.14272             4.07061
     C             5.38916             6.55905             3.73001
     C             5.63995             5.98327             5.06071
     C             4.42519             6.12231             5.86458
     C             3.43244             6.80558             5.02650
     C             4.01865             7.06333             3.71618
     C             6.84567             2.70003             4.12158
     C             6.30944             2.38792             5.44942
     C             6.05262             3.68640             6.11922
     C             6.35397             4.74583             5.16209
     C             6.88006             4.12706             3.95429
     C            15.57008             2.62457             2.17855
     C            15.87066             3.42961             3.27363
     C            16.47632             2.59995             1.06756
     H            16.32277             1.91096             0.22175
     C            17.60715             3.43442             1.18469
     H            18.34910             3.43220             0.40600
     C            17.88140             4.23786             2.29568
     H            18.80931             4.83608             2.34636
     C            17.00835             4.29095             3.36583
     H            17.18395             4.96387             4.19848
           70
 Energy:   -459.1502052032880    
     C             4.39673             2.38041             0.14991
     C             2.96204             1.97069             0.25839
     C             2.15582             3.22168             0.19853
     C             3.07120             4.32889            -0.01350
     C             4.45540             3.83066            -0.06386
     C             5.75142             0.72385             3.13104
     C             4.96360             0.60199             1.89037
     C             5.34141             1.70365             0.98046
     C             6.38336             2.46237             1.66867
     C             6.64552             1.85679             2.98522
     C             1.62057             0.54145             3.26605
     C             1.36313             1.10761             1.96491
     C             2.55341             0.91262             1.12407
     C             3.56374             0.25008             1.94395
     C             2.98023             0.01252             3.27108
     C             0.05425             4.34661             2.92284
     C             0.63508             4.63498             1.60476
     C             0.96769             3.35798             0.95603
     C             0.59302             2.29395             1.88117
     C             0.00763             2.87926             3.07227
     C             3.27163             6.83527             2.55270
     C             3.81899             6.28675             1.32567
     C             2.75853             5.57684             0.62838
     C             1.52089             5.71000             1.44085
     C             1.85609             6.47491             2.61915
     C             6.72550             4.72233             2.66764
     C             6.41146             3.86837             1.51520
     C             5.48104             4.57488             0.64021
     C             5.17691             5.86542             1.30654
     C             5.94345             5.95582             2.55292
     C             3.98068             2.65132             6.96816
     C             2.62451             3.14929             6.92227
     C             2.65734             4.60462             6.76059
     C             4.05067             5.02264             6.71466
     C             4.85978             3.82677             6.86995
     C             3.73834             0.09209             4.46151
     C             3.18209             0.63976             5.69085
     C             4.26735             1.36818             6.38711
     C             5.48563             1.23798             5.55881
     C             5.16258             0.43957             4.38319
     C             0.22081             2.26173             4.35856
     C             0.51620             3.11906             5.49141
     C             1.55297             2.44959             6.28324
     C             1.85169             1.14393             5.66351
     C             1.05479             1.06133             4.43869
     C             1.22820             6.29780             3.89795
     C             2.07035             6.34127             5.10101
     C             1.67526             5.25346             5.98747
     C             0.55574             4.53997             5.35799
     C             0.27443             5.18246             4.06128
     C             5.40370             6.56157             3.74773
     C             5.65751             5.96200             5.06567
     C             4.42703             6.08243             5.85670
     C             3.41686             6.76032             5.04642
     C             4.01897             7.03618             3.73197
     C             6.92187             2.67817             4.11900
     C             6.33485             2.37897             5.45180
     C             6.04569             3.67568             6.09460
     C             6.38811             4.74749             5.14511
     C             6.94626             4.14571             3.94117
     C            15.75822             2.65945             2.16588
     C            16.06772             3.42794             3.24908
     C            16.64861             2.58540             1.08353
     H            16.53597             1.91366             0.22782
     C            17.74825             3.44405             1.11256
     H            18.40521             3.51955             0.26101
     C            18.00516             4.19785             2.26992
     H            18.98856             4.69419             2.31751
     C            17.12134             4.31466             3.33279
     H            17.23001             4.93348             4.21193
           70
 Energy:   -459.1778912483928    
     C             4.39243             2.38015             0.16458
     C             2.99092             2.01685             0.28834
     C             2.17071             3.18573             0.17438
     C             3.06395             4.35020            -0.00533
     C             4.47444             3.86755            -0.01589
     C             5.77650             0.70212             3.11247
     C             4.92788             0.63424             1.89567
     C             5.35246             1.71902             1.01712
     C             6.44636             2.45924             1.68140
     C             6.72158             1.83222             2.97906
     C             1.59899             0.53709             3.26111
     C             1.35873             1.12388             1.95072
     C             2.56513             0.97867             1.16150
     C             3.56059             0.24741             1.97256
     C             2.94355             0.00292             3.27589
     C             0.01380             4.34629             2.91295
     C             0.62575             4.61028             1.60634
     C             0.98933             3.35513             0.98908
     C             0.56044             2.28221             1.87123
     C            -0.04203             2.88421             3.08380
     C             3.23132             6.82777             2.58788
     C             3.79937             6.27130             1.36210
     C             2.72145             5.56200             0.64499
     C             1.52481             5.70799             1.46215
     C             1.84525             6.46845             2.65925
     C             6.77268             4.73493             2.66332
     C             6.50811             3.88246             1.50809
     C             5.48870             4.58095             0.69134
     C             5.15850             5.85792             1.31896
     C             5.96026             5.96847             2.54757
     C             3.93755             2.66194             6.95421
     C             2.55591             3.17179             6.88502
     C             2.62460             4.59974             6.75191
     C             4.02180             4.98817             6.68241
     C             4.85154             3.78896             6.79203
     C             3.73361             0.07545             4.46527
     C             3.18486             0.64657             5.70535
     C             4.24975             1.40562             6.36463
     C             5.47291             1.29479             5.56108
     C             5.15581             0.43539             4.38968
     C             0.17786             2.26054             4.33931
     C             0.49769             3.12357             5.48308
     C             1.54281             2.44111             6.25725
     C             1.84958             1.16305             5.65106
     C             1.03469             1.08113             4.44716
     C             1.23654             6.27049             3.90036
     C             2.04229             6.34738             5.10009
     C             1.62390             5.25692             5.97242
     C             0.51927             4.54587             5.33059
     C             0.26151             5.20380             4.03725
     C             5.43458             6.54850             3.74574
     C             5.66059             5.92858             5.05792
     C             4.44530             6.06140             5.85738
     C             3.42963             6.71610             5.03955
     C             4.03601             7.00431             3.74913
     C             6.99370             2.66972             4.11383
     C             6.39655             2.38866             5.40818
     C             6.04406             3.66540             6.03594
     C             6.46573             4.75058             5.15392
     C             7.01741             4.12685             3.94558
     C            15.94190             2.65940             2.14635
     C            16.15107             3.41997             3.27966
     C            16.82711             2.58045             1.06267
     H            16.58547             1.87934             0.26606
     C            17.89112             3.45591             1.07674
     H            18.48235             3.53336             0.17302
     C            18.17942             4.20266             2.21712
     H            19.13121             4.74347             2.30960
     C            17.28019             4.30934             3.28141
     H            17.42077             4.98474             4.12062
           70
 Energy:   -459.0861480930046    
     C             4.42308             2.40996             0.21234
     C             3.01428             2.01754             0.30111
     C             2.16906             3.22495             0.16698
     C             3.06140             4.36021            -0.00990
     C             4.44996             3.84611             0.06283
     C             5.77121             0.67701             3.11845
     C             4.93248             0.66796             1.92889
     C             5.37547             1.75398             1.03066
     C             6.49264             2.47327             1.65954
     C             6.75406             1.80936             2.96615
     C             1.56593             0.49425             3.25828
     C             1.34123             1.12042             1.95744
     C             2.60475             1.00409             1.19227
     C             3.55653             0.27669             1.99949
     C             2.94538            -0.03054             3.29934
     C            -0.05139             4.33650             2.89210
     C             0.62156             4.60704             1.60975
     C             1.00211             3.33031             0.97801
     C             0.51228             2.27991             1.86812
     C            -0.08806             2.88337             3.05066
     C             3.24616             6.85825             2.59363
     C             3.78385             6.28982             1.37338
     C             2.72994             5.57264             0.68853
     C             1.49877             5.69751             1.48093
     C             1.82946             6.51430             2.64518
     C             6.83504             4.75639             2.68270
     C             6.55933             3.90626             1.49824
     C             5.50993             4.57168             0.69964
     C             5.14593             5.82794             1.37303
     C             6.00414             5.95336             2.56608
     C             3.88590             2.65739             6.94329
     C             2.53563             3.17120             6.90271
     C             2.57495             4.62439             6.73840
     C             4.01739             4.97475             6.67980
     C             4.82301             3.75322             6.73397
     C             3.75073             0.04520             4.47947
     C             3.17313             0.66161             5.67939
     C             4.23685             1.43945             6.32926
     C             5.47016             1.31654             5.53386
     C             5.16519             0.45810             4.39134
     C             0.15012             2.28140             4.33467
     C             0.47259             3.11894             5.47745
     C             1.49130             2.44475             6.27206
     C             1.83791             1.18191             5.63086
     C             0.99525             1.06622             4.42288
     C             1.21164             6.26813             3.89932
     C             2.04409             6.35862             5.11391
     C             1.58245             5.29211             5.99139
     C             0.50024             4.53930             5.32822
     C             0.25802             5.15140             4.02458
     C             5.42957             6.52244             3.74441
     C             5.70004             5.90411             5.05147
     C             4.44989             6.03208             5.84665
     C             3.43560             6.69130             5.03326
     C             4.04397             6.98278             3.73817
     C             7.06816             2.66463             4.07986
     C             6.40653             2.37904             5.38108
     C             6.06108             3.65296             6.00315
     C             6.52918             4.73971             5.14602
     C             7.10289             4.13581             3.92527
     C            16.09229             2.62714             2.16914
     C            16.27300             3.45056             3.26807
     C            16.96680             2.57587             1.02651
     H            16.77358             1.89277             0.20135
     C            18.06367             3.46014             1.04041
     H            18.75744             3.57270             0.19653
     C            18.33916             4.23390             2.17187
     H            19.24142             4.84644             2.14412
     C            17.43422             4.26917             3.25139
     H            17.63385             5.02130             4.01138
           70
 Energy:   -459.0034002560062    
     C             4.40896             2.42957             0.27433
     C             3.00525             2.02144             0.29842
     C             2.16670             3.22702             0.17558
     C             3.08537             4.37575             0.02939
     C             4.45226             3.87292             0.10837
     C             5.80428             0.73233             3.13517
     C             4.95870             0.69608             1.93701
     C             5.39875             1.75714             1.04387
     C             6.51912             2.47170             1.65556
     C             6.76545             1.81029             2.94764
     C             1.54555             0.42673             3.26338
     C             1.34349             1.09138             1.96949
     C             2.57819             1.00189             1.21717
     C             3.59363             0.32259             2.04329
     C             2.95070            -0.06258             3.30457
     C            -0.08614             4.32297             2.86389
     C             0.60685             4.60367             1.60153
     C             0.95515             3.34199             0.96191
     C             0.52088             2.24622             1.83838
     C            -0.14375             2.85412             3.02569
     C             3.23811             6.92058             2.55727
     C             3.83650             6.30551             1.37717
     C             2.74715             5.57326             0.69591
     C             1.51113             5.71794             1.48407
     C             1.80231             6.57987             2.62845
     C             6.90845             4.76029             2.64244
     C             6.57665             3.90577             1.50189
     C             5.50894             4.57612             0.71663
     C             5.16074             5.80243             1.42717
     C             6.01137             5.93683             2.59368
     C             3.88804             2.65273             6.91141
     C             2.49356             3.17546             6.94862
     C             2.58970             4.62103             6.77310
     C             4.00706             4.97556             6.67546
     C             4.80256             3.76479             6.71698
     C             3.75896             0.02785             4.48007
     C             3.15539             0.68431             5.63390
     C             4.21651             1.42618             6.28884
     C             5.45697             1.30882             5.50331
     C             5.16543             0.44514             4.37723
     C             0.13936             2.27491             4.30884
     C             0.43404             3.12669             5.48396
     C             1.45147             2.44262             6.30098
     C             1.80223             1.17672             5.60219
     C             0.96045             1.06279             4.41125
     C             1.19001             6.28309             3.88476
     C             2.01833             6.36696             5.09383
     C             1.56216             5.31882             6.02790
     C             0.50488             4.53892             5.35503
     C             0.26960             5.11723             4.02041
     C             5.43496             6.49240             3.75576
     C             5.71847             5.90096             5.05502
     C             4.46671             6.00187             5.82387
     C             3.43586             6.68790             5.02383
     C             4.04853             6.97422             3.73813
     C             7.10192             2.64667             4.07149
     C             6.39852             2.37219             5.34485
     C             6.05801             3.64026             6.00748
     C             6.54725             4.72854             5.12683
     C             7.19232             4.14256             3.93533
     C            16.25184             2.57882             2.15929
     C            16.46497             3.47711             3.18150
     C            17.10405             2.60770             1.03024
     H            16.94969             1.96085             0.17975
     C            18.22045             3.43341             1.02399
     H            18.89377             3.39896             0.14207
     C            18.44552             4.25433             2.12640
     H            19.25914             4.95995             2.13975
     C            17.62378             4.27771             3.23903
     H            17.71989             4.92762             4.11514
           70
 Energy:   -458.6537747447316    
     C             4.37848             2.42883             0.30772
     C             2.96463             2.02297             0.33505
     C             2.15549             3.22326             0.19339
     C             3.07743             4.35466             0.08711
     C             4.46924             3.87897             0.11418
     C             5.81014             0.77700             3.12828
     C             4.98922             0.70446             1.94759
     C             5.39905             1.75565             1.03032
     C             6.52518             2.47020             1.65438
     C             6.80900             1.87005             2.95868
     C             1.54195             0.38640             3.27025
     C             1.33293             1.04722             1.97392
     C             2.59369             0.98992             1.21702
     C             3.59930             0.35842             2.05085
     C             2.95193            -0.07627             3.28430
     C            -0.06618             4.30923             2.87848
     C             0.59889             4.63330             1.58322
     C             0.93531             3.34237             0.92330
     C             0.51909             2.23118             1.82046
     C            -0.15700             2.81415             2.99493
     C             3.24343             6.99804             2.55403
     C             3.83432             6.32012             1.37926
     C             2.78036             5.60170             0.70288
     C             1.53028             5.73036             1.45928
     C             1.80119             6.62844             2.60764
     C             6.97259             4.74620             2.65005
     C             6.58270             3.87855             1.48694
     C             5.52502             4.58377             0.77468
     C             5.18873             5.81606             1.43591
     C             6.03557             5.89508             2.61419
     C             3.88093             2.65115             6.88899
     C             2.49316             3.15608             6.97363
     C             2.58007             4.63781             6.82896
     C             4.00927             4.97517             6.66584
     C             4.82578             3.77201             6.73162
     C             3.73391             0.01682             4.44779
     C             3.12691             0.68913             5.59661
     C             4.20351             1.42803             6.26320
     C             5.43927             1.28666             5.49707
     C             5.16860             0.40772             4.35388
     C             0.11890             2.26521             4.29615
     C             0.40882             3.10992             5.49082
     C             1.43301             2.41028             6.30142
     C             1.77966             1.17616             5.61912
     C             0.96493             1.04883             4.40296
     C             1.18604             6.27737             3.86123
     C             2.01817             6.37485             5.09345
     C             1.59591             5.31690             6.03785
     C             0.50938             4.55047             5.36305
     C             0.28655             5.13448             4.01207
     C             5.44264             6.49683             3.76122
     C             5.69671             5.89399             5.06008
     C             4.44107             6.01132             5.81972
     C             3.41819             6.67734             5.01052
     C             4.04679             6.98815             3.72083
     C             7.09951             2.66627             4.09314
     C             6.36762             2.36770             5.33816
     C             6.04214             3.63856             5.97789
     C             6.52820             4.72811             5.14238
     C             7.23234             4.12639             3.93207
     C            16.42637             2.55847             2.12918
     C            16.65402             3.47097             3.11788
     C            17.24733             2.59026             0.99679
     H            16.96346             1.97036             0.15837
     C            18.36081             3.40999             1.04411
     H            19.08449             3.37098             0.20391
     C            18.58826             4.30973             2.08495
     H            19.43484             4.96655             1.96697
     C            17.78168             4.30298             3.22569
     H            18.07008             4.84322             4.14398
           70
 Energy:   -458.7376090180024    
     C             4.37858             2.40749             0.28666
     C             2.97324             2.03935             0.37235
     C             2.15390             3.23517             0.21480
     C             3.07880             4.36255             0.11247
     C             4.44605             3.84049             0.13918
     C             5.81770             0.76724             3.13910
     C             4.97080             0.70474             1.93469
     C             5.39710             1.75334             1.02760
     C             6.52578             2.47752             1.62499
     C             6.78571             1.87233             2.96539
     C             1.54862             0.40009             3.25063
     C             1.31030             1.03400             1.93481
     C             2.58190             0.97506             1.21522
     C             3.60328             0.33600             2.01888
     C             2.94793            -0.07237             3.24386
     C            -0.00236             4.30239             2.88309
     C             0.61378             4.63384             1.57314
     C             0.91895             3.33616             0.92155
     C             0.50280             2.22597             1.80157
     C            -0.10428             2.84368             3.00322
     C             3.25663             7.02197             2.53667
     C             3.85825             6.36876             1.39176
     C             2.78510             5.60034             0.70682
     C             1.52723             5.75653             1.44520
     C             1.81421             6.63115             2.59254
     C             6.96904             4.71067             2.67205
     C             6.61401             3.90556             1.51099
     C             5.51063             4.55303             0.75773
     C             5.19883             5.84118             1.43779
     C             6.06711             5.90788             2.63475
     C             3.88720             2.64904             6.90032
     C             2.50260             3.14883             6.94891
     C             2.57253             4.62094             6.85820
     C             4.00867             4.98073             6.70187
     C             4.81038             3.75470             6.74857
     C             3.72925             0.01209             4.43181
     C             3.13091             0.67288             5.59343
     C             4.17692             1.43442             6.23955
     C             5.43747             1.26116             5.49847
     C             5.16689             0.40532             4.35811
     C             0.11203             2.23118             4.30721
     C             0.41850             3.10577             5.48322
     C             1.44476             2.42503             6.30962
     C             1.78514             1.14505             5.62630
     C             0.97756             1.03325             4.41423
     C             1.23788             6.28806             3.86617
     C             2.03719             6.36305             5.08985
     C             1.60778             5.29319             6.00150
     C             0.52136             4.53373             5.33674
     C             0.29049             5.13720             4.01955
     C             5.44381             6.51391             3.75773
     C             5.65150             5.89179             5.06569
     C             4.39804             6.03476             5.82666
     C             3.41654             6.69177             4.97854
     C             4.05803             7.02976             3.72925
     C             7.09176             2.68044             4.12491
     C             6.33310             2.37116             5.34585
     C             5.99930             3.63415             5.97372
     C             6.51194             4.73633             5.12887
     C             7.19090             4.14820             3.98568
     C            16.58323             2.55845             2.10456
     C            16.82762             3.46389             3.14081
     C            17.40560             2.53377             0.93390
     H            17.14364             1.97614             0.02812
     C            18.51312             3.40645             1.03655
     H            19.24814             3.35141             0.22666
     C            18.76638             4.36143             2.04754
     H            19.62305             5.03684             2.00052
     C            17.95576             4.32237             3.16715
     H            18.29342             4.80600             4.09318
           70
 Energy:   -459.1771904004303    
     C             4.38975             2.38785             0.25107
     C             2.98611             2.03759             0.36107
     C             2.16957             3.23785             0.23678
     C             3.09210             4.36381             0.10208
     C             4.44534             3.84338             0.15716
     C             5.78633             0.72538             3.11878
     C             4.96199             0.69019             1.93162
     C             5.39869             1.74683             1.02019
     C             6.53343             2.47210             1.65162
     C             6.73850             1.85724             2.96970
     C             1.55052             0.44570             3.22135
     C             1.29403             1.05232             1.90866
     C             2.55591             0.97324             1.16375
     C             3.57447             0.27293             1.96830
     C             2.95123            -0.06522             3.25493
     C             0.06594             4.32848             2.88105
     C             0.64762             4.61680             1.58743
     C             0.92627             3.34727             0.92527
     C             0.48459             2.23851             1.80870
     C            -0.01996             2.85698             3.05489
     C             3.26570             7.00931             2.54747
     C             3.87605             6.37596             1.35388
     C             2.79773             5.62050             0.71280
     C             1.52154             5.76534             1.45164
     C             1.84711             6.61818             2.61713
     C             6.88668             4.74990             2.71942
     C             6.59825             3.89731             1.50371
     C             5.51552             4.57339             0.75909
     C             5.21682             5.82171             1.41413
     C             6.05668             5.95512             2.61240
     C             3.87297             2.62805             6.91881
     C             2.51492             3.15582             6.92834
     C             2.56977             4.60860             6.81085
     C             3.97915             5.00161             6.75680
     C             4.77491             3.77302             6.76897
     C             3.74770             0.01476             4.42345
     C             3.14434             0.63877             5.60332
     C             4.19096             1.42717             6.24923
     C             5.42843             1.27512             5.51903
     C             5.15772             0.40902             4.36742
     C             0.14410             2.22775             4.31597
     C             0.45529             3.09320             5.46610
     C             1.47321             2.41160             6.28091
     C             1.79657             1.13607             5.63349
     C             0.97552             1.01345             4.40775
     C             1.25183             6.27595             3.86760
     C             2.06152             6.32902             5.07953
     C             1.61522             5.25292             5.98232
     C             0.54906             4.51110             5.30737
     C             0.32706             5.15619             3.99933
     C             5.44218             6.53732             3.77665
     C             5.62956             5.90192             5.06808
     C             4.39258             6.02221             5.83840
     C             3.42247             6.73422             4.99809
     C             4.06739             7.08132             3.71521
     C             7.05231             2.65880             4.11453
     C             6.32484             2.37215             5.36476
     C             5.96254             3.65142             5.99879
     C             6.42881             4.74319             5.17511
     C             7.13262             4.14229             3.99770
     C            16.73232             2.57912             2.08156
     C            17.00506             3.43126             3.13442
     C            17.58134             2.55251             0.96083
     H            17.42356             1.93838             0.06634
     C            18.68534             3.41681             0.96282
     H            19.40239             3.36429             0.15691
     C            18.91340             4.33355             1.98816
     H            19.76003             5.03280             1.95657
     C            18.11323             4.33062             3.13986
     H            18.29430             4.92957             4.04081
           70
 Energy:   -459.2665823900379    
     C             4.41577             2.41676             0.23989
     C             2.98313             2.01969             0.28869
     C             2.19126             3.23501             0.23280
     C             3.09727             4.37005             0.10111
     C             4.49043             3.86780             0.12710
     C             5.75530             0.71135             3.11479
     C             4.92128             0.63986             1.89099
     C             5.40080             1.72357             1.01352
     C             6.49016             2.45552             1.68097
     C             6.70417             1.81879             2.99286
     C             1.56093             0.46788             3.22483
     C             1.30790             1.08023             1.90718
     C             2.54742             0.93259             1.11526
     C             3.54601             0.23514             1.93037
     C             2.92989            -0.04461             3.23766
     C             0.09967             4.31637             2.89715
     C             0.69249             4.63965             1.59411
     C             0.95780             3.35073             0.93129
     C             0.50704             2.26932             1.82572
     C             0.02862             2.88343             3.05267
     C             3.29834             6.98384             2.53648
     C             3.86690             6.36045             1.34940
     C             2.79065             5.61969             0.67125
     C             1.57156             5.75730             1.47292
     C             1.87135             6.59352             2.63142
     C             6.81978             4.76532             2.71546
     C             6.55458             3.90022             1.55643
     C             5.53729             4.57766             0.75650
     C             5.19499             5.86892             1.38704
     C             5.99510             5.99318             2.59686
     C             3.86453             2.64552             6.93001
     C             2.49296             3.13664             6.91606
     C             2.56627             4.59159             6.77496
     C             3.96572             5.01634             6.75189
     C             4.76344             3.78546             6.82703
     C             3.74145             0.01974             4.42793
     C             3.15592             0.62253             5.63061
     C             4.19685             1.39833             6.30964
     C             5.43500             1.28455             5.50775
     C             5.16662             0.41597             4.36916
     C             0.20048             2.24586             4.31722
     C             0.50629             3.08037             5.45984
     C             1.50510             2.38962             6.25151
     C             1.81772             1.10687             5.60959
     C             0.98284             1.00941             4.40966
     C             1.26548             6.27646             3.87656
     C             2.07384             6.31603             5.08083
     C             1.62644             5.24914             5.95237
     C             0.57118             4.50260             5.27909
     C             0.35927             5.14931             3.99809
     C             5.43716             6.57980             3.76673
     C             5.62330             5.91677             5.08079
     C             4.39309             6.03686             5.85433
     C             3.42855             6.76729             5.04452
     C             4.06862             7.10332             3.75301
     C             6.97664             2.67028             4.11960
     C             6.32117             2.38796             5.40821
     C             5.93932             3.63107             6.04652
     C             6.39529             4.71461             5.18047
     C             7.03156             4.14045             3.99329
     C            16.88277             2.60937             2.06713
     C            17.18119             3.41026             3.13191
     C            17.76710             2.58240             0.96616
     H            17.57059             1.78774             0.23625
     C            18.84454             3.43103             0.89157
     H            19.51229             3.44513             0.05540
     C            19.04719             4.29312             1.96816
     H            19.87785             5.00068             1.84318
     C            18.24096             4.31746             3.09894
     H            18.34440             5.09552             3.84699
           70
 Energy:   -459.1580759228854    
     C             4.42833             2.41607             0.22461
     C             3.01791             1.98904             0.22876
     C             2.20797             3.22931             0.18478
     C             3.13213             4.36466             0.07564
     C             4.48920             3.87268             0.07077
     C             5.71900             0.68362             3.09993
     C             4.92595             0.59770             1.86100
     C             5.36888             1.69932             0.99822
     C             6.42500             2.46128             1.71078
     C             6.66407             1.82208             3.01048
     C             1.56635             0.47316             3.21367
     C             1.34053             1.09443             1.91212
     C             2.54272             0.91364             1.06249
     C             3.53598             0.22039             1.91946
     C             2.94149            -0.03529             3.22941
     C             0.10833             4.33126             2.87851
     C             0.71573             4.63998             1.60584
     C             1.00522             3.37574             0.93990
     C             0.58710             2.28817             1.81949
     C             0.02622             2.88007             3.02894
     C             3.30653             6.96910             2.57545
     C             3.84502             6.36402             1.33819
     C             2.79743             5.63128             0.65609
     C             1.60809             5.73652             1.47393
     C             1.91550             6.57821             2.62744
     C             6.76904             4.76752             2.73284
     C             6.48397             3.88629             1.61377
     C             5.53217             4.61469             0.73329
     C             5.19701             5.89755             1.34612
     C             5.96294             5.99245             2.60305
     C             3.87237             2.63103             6.96164
     C             2.51211             3.13312             6.91568
     C             2.55248             4.58455             6.77812
     C             3.96831             4.99010             6.71903
     C             4.78098             3.78293             6.88360
     C             3.72397             0.03249             4.42135
     C             3.16592             0.60333             5.65918
     C             4.21441             1.38204             6.35122
     C             5.42566             1.26322             5.53905
     C             5.12705             0.41498             4.37055
     C             0.23938             2.25907             4.28140
     C             0.54670             3.09145             5.44449
     C             1.52116             2.35534             6.25267
     C             1.82379             1.08699             5.60222
     C             1.00705             1.01966             4.39783
     C             1.28987             6.28934             3.87461
     C             2.07516             6.36317             5.09499
     C             1.63891             5.25793             5.94888
     C             0.59736             4.49879             5.29352
     C             0.36311             5.13480             4.00682
     C             5.42526             6.60490             3.79910
     C             5.64205             5.92778             5.08019
     C             4.40804             6.07956             5.88501
     C             3.42394             6.78514             5.06325
     C             4.03834             7.11261             3.77908
     C             6.89420             2.68663             4.13767
     C             6.30638             2.37080             5.43718
     C             5.96349             3.64471             6.09419
     C             6.36735             4.72221             5.17846
     C             6.91939             4.13639             3.97405
     C            17.05120             2.63447             2.04552
     C            17.32439             3.39841             3.16806
     C            17.91095             2.52766             0.91562
     H            17.83013             1.72853             0.15800
     C            18.98051             3.45092             0.86342
     H            19.57011             3.48116            -0.02998
     C            19.22161             4.29114             1.93752
     H            20.02438             5.03811             1.93372
     C            18.38493             4.33954             3.04629
     H            18.48220             5.15980             3.74232
           70
 Energy:   -459.2248799322773    
     C             4.42986             2.38416             0.16604
     C             3.01681             1.99188             0.20407
     C             2.23334             3.22610             0.11662
     C             3.12768             4.38118             0.01459
     C             4.50890             3.85049             0.04084
     C             5.70869             0.66199             3.11236
     C             4.94651             0.57274             1.85110
     C             5.36372             1.69689             1.00526
     C             6.35105             2.47607             1.72215
     C             6.57805             1.84161             3.01210
     C             1.59613             0.46231             3.18208
     C             1.37602             1.08592             1.87385
     C             2.57775             0.91065             1.06143
     C             3.56734             0.21627             1.89788
     C             2.95414            -0.04261             3.22647
     C             0.07507             4.34156             2.86976
     C             0.73404             4.63356             1.58979
     C             1.07750             3.38414             0.92595
     C             0.65280             2.30421             1.80264
     C             0.01285             2.87754             2.98681
     C             3.30394             6.95901             2.56786
     C             3.88607             6.41909             1.33868
     C             2.83217             5.61394             0.66232
     C             1.60440             5.73731             1.46637
     C             1.90090             6.55376             2.63431
     C             6.69295             4.75148             2.74614
     C             6.39079             3.90088             1.58195
     C             5.50359             4.61214             0.69589
     C             5.21574             5.91706             1.34686
     C             5.95111             6.00214             2.62066
     C             3.91312             2.60063             7.01826
     C             2.53309             3.11272             6.93413
     C             2.59553             4.57973             6.78774
     C             3.98531             4.98114             6.71514
     C             4.80952             3.76506             6.89244
     C             3.70017             0.04520             4.44078
     C             3.14628             0.58511             5.67032
     C             4.19856             1.35488             6.36178
     C             5.42505             1.21575             5.57410
     C             5.10049             0.42266             4.37262
     C             0.25792             2.26401             4.26135
     C             0.56881             3.08137             5.42248
     C             1.51915             2.37076             6.27766
     C             1.81568             1.08546             5.63091
     C             1.03841             1.03055             4.36218
     C             1.27930             6.28355             3.87161
     C             2.04209             6.40440             5.12842
     C             1.64917             5.29458             5.99671
     C             0.61779             4.51788             5.30515
     C             0.37643             5.16311             4.00258
     C             5.41104             6.59740             3.80111
     C             5.62856             5.97143             5.11666
     C             4.41952             6.08731             5.91434
     C             3.42625             6.80852             5.08614
     C             4.05193             7.10813             3.78566
     C             6.82673             2.66511             4.13517
     C             6.28198             2.36607             5.46194
     C             6.01639             3.66176             6.13405
     C             6.34170             4.73949             5.20707
     C             6.85414             4.11275             4.00866
     C            17.22672             2.61456             2.02231
     C            17.49105             3.40376             3.12902
     C            18.06694             2.50243             0.89242
     H            17.95366             1.77646             0.08093
     C            19.08876             3.43465             0.83862
     H            19.71951             3.51299            -0.04252
     C            19.38379             4.32061             1.90962
     H            20.28996             4.92412             1.77737
     C            18.52331             4.37733             3.03581
     H            18.63989             5.12061             3.81500
           70
 Energy:   -458.8687490369751    
     C             4.43658             2.35447             0.11085
     C             3.01031             1.99625             0.18929
     C             2.22992             3.24207             0.06508
     C             3.15366             4.37548            -0.05549
     C             4.49675             3.83906            -0.00981
     C             5.70442             0.67251             3.11915
     C             4.97628             0.56032             1.85352
     C             5.34337             1.68939             0.98217
     C             6.29247             2.50734             1.72580
     C             6.50775             1.86992             3.01590
     C             1.61189             0.46133             3.15533
     C             1.40171             1.07033             1.83751
     C             2.64723             0.93713             1.06543
     C             3.60278             0.19606             1.90537
     C             2.98506            -0.06507             3.19501
     C             0.05268             4.34105             2.84661
     C             0.73206             4.64059             1.55842
     C             1.11100             3.37625             0.92123
     C             0.67241             2.29260             1.77851
     C             0.02497             2.87427             2.97152
     C             3.29468             6.98516             2.56738
     C             3.88950             6.43913             1.32422
     C             2.86987             5.61774             0.67158
     C             1.62636             5.74830             1.44174
     C             1.89159             6.55367             2.63092
     C             6.61531             4.69004             2.74619
     C             6.36971             3.90074             1.57427
     C             5.46913             4.63946             0.69730
     C             5.22500             5.94266             1.34615
     C             5.95743             5.98869             2.61877
     C             3.93308             2.58035             7.04464
     C             2.55805             3.11456             6.97776
     C             2.62978             4.56963             6.78869
     C             4.04413             4.96830             6.75284
     C             4.83286             3.75704             6.89788
     C             3.68751             0.03535             4.44012
     C             3.11306             0.59028             5.68378
     C             4.17733             1.31689             6.38861
     C             5.42322             1.20571             5.59371
     C             5.10927             0.40929             4.39740
     C             0.27010             2.26842             4.23527
     C             0.56892             3.12399             5.41677
     C             1.50537             2.39197             6.28150
     C             1.77918             1.09692             5.63981
     C             1.07350             1.04022             4.35507
     C             1.27653             6.30692             3.90658
     C             2.03716             6.43932             5.15456
     C             1.63877             5.30919             6.04796
     C             0.62248             4.52775             5.30295
     C             0.36716             5.13964             4.00327
     C             5.41637             6.57538             3.81784
     C             5.63938             5.98043             5.15135
     C             4.38052             6.09560             5.92586
     C             3.40852             6.82430             5.10464
     C             4.03636             7.09437             3.77517
     C             6.76988             2.66215             4.16248
     C             6.26911             2.35090             5.48414
     C             6.03055             3.62821             6.16882
     C             6.36303             4.74206             5.24752
     C             6.83695             4.11793             4.00312
     C            17.39133             2.54389             2.02341
     C            17.67141             3.43595             3.02875
     C            18.21210             2.51713             0.88556
     H            17.93296             1.81244             0.11308
     C            19.24260             3.44575             0.83346
     H            19.87975             3.43947            -0.06855
     C            19.49092             4.32087             1.87371
     H            20.37814             4.94950             1.88647
     C            18.70812             4.40152             3.00475
     H            18.85620             5.05293             3.86442
           70
 Energy:   -458.7048478756889    
     C             4.43357             2.38560             0.07230
     C             3.03349             2.00661             0.14873
     C             2.22438             3.24237             0.05267
     C             3.14253             4.39908            -0.08238
     C             4.53120             3.86580            -0.06147
     C             5.69157             0.70308             3.13380
     C             4.98763             0.54624             1.84291
     C             5.34009             1.67131             0.95570
     C             6.26254             2.49399             1.71753
     C             6.48873             1.92168             3.03326
     C             1.63157             0.45835             3.15918
     C             1.43277             1.07506             1.83505
     C             2.67703             0.94934             1.07309
     C             3.62565             0.18187             1.89390
     C             2.98405            -0.08870             3.20441
     C             0.08295             4.34614             2.81556
     C             0.72888             4.65069             1.53605
     C             1.07759             3.38651             0.90030
     C             0.65527             2.27225             1.76205
     C             0.05845             2.86353             2.95262
     C             3.28493             7.01941             2.55957
     C             3.86785             6.43979             1.33585
     C             2.87372             5.60600             0.62547
     C             1.64114             5.73057             1.43341
     C             1.89689             6.58689             2.63200
     C             6.60448             4.68455             2.75887
     C             6.35442             3.89655             1.57166
     C             5.46100             4.63234             0.69472
     C             5.21073             5.96263             1.33247
     C             5.94496             5.95369             2.63068
     C             3.90930             2.58215             7.03994
     C             2.53925             3.11603             6.98297
     C             2.62975             4.58681             6.80913
     C             4.03455             4.97456             6.78390
     C             4.84015             3.71854             6.95410
     C             3.70043             0.01533             4.43945
     C             3.10422             0.58953             5.67579
     C             4.18658             1.31315             6.42444
     C             5.38889             1.20119             5.61673
     C             5.11848             0.37532             4.41174
     C             0.29563             2.29578             4.24245
     C             0.55799             3.11796             5.40986
     C             1.50825             2.41668             6.28615
     C             1.77926             1.11859             5.63224
     C             1.06818             1.06381             4.34019
     C             1.26405             6.31762             3.89481
     C             2.02070             6.43325             5.18948
     C             1.64181             5.29869             6.04100
     C             0.61087             4.54011             5.32368
     C             0.38231             5.14388             3.99845
     C             5.41297             6.55646             3.83057
     C             5.63799             5.94542             5.16966
     C             4.39820             6.08282             5.93575
     C             3.40618             6.82027             5.09242
     C             4.02563             7.07463             3.80171
     C             6.75460             2.68858             4.16678
     C             6.27107             2.33222             5.49519
     C             6.03251             3.60699             6.17478
     C             6.41756             4.72369             5.28144
     C             6.83255             4.10673             4.03525
     C            17.57179             2.48320             2.05861
     C            17.81029             3.48036             2.97682
     C            18.34351             2.52451             0.84945
     H            18.15649             1.88184             0.00058
     C            19.41208             3.43804             0.81297
     H            20.11928             3.45235            -0.05480
     C            19.66920             4.36625             1.83859
     H            20.51809             5.04128             1.69780
     C            18.86983             4.36634             2.96790
     H            19.12415             5.02101             3.80063
           70
 Energy:   -458.7862527081936    
     C             4.47708             2.41159             0.07062
     C             3.03392             2.01348             0.13954
     C             2.22932             3.24427             0.06865
     C             3.13411             4.39645            -0.08905
     C             4.51391             3.90064            -0.09136
     C             5.68284             0.72283             3.14433
     C             4.98766             0.54560             1.84028
     C             5.35581             1.68411             0.93594
     C             6.29712             2.48897             1.70262
     C             6.47310             1.91541             3.01489
     C             1.63127             0.47437             3.17778
     C             1.44832             1.10953             1.86903
     C             2.66436             0.95707             1.05177
     C             3.60080             0.17048             1.89423
     C             2.98585            -0.10025             3.21817
     C             0.14325             4.33800             2.84218
     C             0.73147             4.63803             1.52896
     C             1.03049             3.36619             0.83048
     C             0.64388             2.28054             1.73369
     C             0.08038             2.89438             2.96048
     C             3.29624             7.02102             2.56702
     C             3.87193             6.43499             1.32631
     C             2.82925             5.64767             0.62907
     C             1.63065             5.73781             1.45567
     C             1.87901             6.59707             2.60468
     C             6.65406             4.69901             2.77569
     C             6.34627             3.88899             1.59064
     C             5.49804             4.64393             0.67973
     C             5.20306             5.92176             1.35707
     C             5.89638             5.96158             2.64450
     C             3.86410             2.58638             7.04638
     C             2.51035             3.14675             6.95312
     C             2.58229             4.59146             6.84128
     C             4.01007             4.97063             6.81404
     C             4.81462             3.73935             6.98524
     C             3.70898            -0.01287             4.46524
     C             3.13504             0.58550             5.67305
     C             4.15253             1.32116             6.40671
     C             5.41650             1.19046             5.60905
     C             5.11970             0.37947             4.41906
     C             0.30248             2.32011             4.22699
     C             0.55036             3.11781             5.43521
     C             1.49808             2.40308             6.26542
     C             1.82362             1.13529             5.60497
     C             1.06289             1.08021             4.33947
     C             1.27557             6.31890             3.88682
     C             2.02512             6.41895             5.14698
     C             1.64464             5.28128             6.01266
     C             0.58813             4.53000             5.31227
     C             0.39460             5.15174             3.97846
     C             5.39035             6.52288             3.83827
     C             5.64661             5.89862             5.15418
     C             4.41958             6.04502             5.95201
     C             3.41871             6.75927             5.12964
     C             4.04118             7.06782             3.79243
     C             6.78364             2.67103             4.17270
     C             6.26516             2.32922             5.48654
     C             6.02138             3.60209             6.21673
     C             6.41826             4.71811             5.30835
     C             6.86561             4.12476             4.05316
     C            17.78560             2.46489             2.03489
     C            17.89903             3.47900             2.98181
     C            18.50281             2.53073             0.83014
     H            18.30175             1.90517            -0.02846
     C            19.57353             3.43367             0.79521
     H            20.21405             3.36595            -0.11381
     C            19.85700             4.38415             1.76818
     H            20.62108             5.14981             1.60954
     C            19.06394             4.36817             2.93244
     H            19.27488             5.01871             3.79508
           70
 Energy:   -458.9310863376805    
     C             4.45918             2.41688             0.08332
     C             3.06038             2.02604             0.17417
     C             2.23344             3.25114             0.06721
     C             3.11154             4.43630            -0.04152
     C             4.51939             3.91781            -0.06106
     C             5.65653             0.70575             3.11321
     C             4.95414             0.57458             1.84152
     C             5.39179             1.69500             0.94789
     C             6.35855             2.49002             1.70692
     C             6.51764             1.88982             3.02499
     C             1.63895             0.50405             3.18268
     C             1.43179             1.15228             1.88343
     C             2.62993             0.94878             1.06510
     C             3.59228             0.18085             1.89099
     C             2.97822            -0.08748             3.22592
     C             0.19518             4.33524             2.83112
     C             0.74099             4.62898             1.52817
     C             0.99260             3.37034             0.79230
     C             0.61754             2.30251             1.74365
     C             0.10120             2.90076             2.95648
     C             3.29588             6.99016             2.56501
     C             3.87007             6.42688             1.31366
     C             2.81193             5.65735             0.63546
     C             1.58661             5.75920             1.44356
     C             1.88545             6.60593             2.61654
     C             6.68214             4.72982             2.77138
     C             6.40445             3.90210             1.60016
     C             5.51080             4.64643             0.67596
     C             5.17625             5.88384             1.38311
     C             5.91359             5.92757             2.65070
     C             3.84494             2.60139             7.03692
     C             2.47381             3.13178             6.94029
     C             2.55252             4.61019             6.84102
     C             3.97441             4.97470             6.85192
     C             4.76806             3.74485             6.97723
     C             3.72502            -0.03720             4.46323
     C             3.12664             0.57594             5.66496
     C             4.17935             1.35993             6.36260
     C             5.41495             1.20196             5.61687
     C             5.12699             0.39413             4.40206
     C             0.28660             2.30686             4.23975
     C             0.51828             3.11796             5.42569
     C             1.50195             2.38543             6.25277
     C             1.83998             1.14414             5.57149
     C             1.08374             1.08454             4.35111
     C             1.29403             6.31100             3.86471
     C             2.07406             6.36610             5.11523
     C             1.61361             5.28776             5.98315
     C             0.58824             4.53916             5.27657
     C             0.39563             5.15251             3.98364
     C             5.38442             6.49394             3.84472
     C             5.61623             5.88829             5.15837
     C             4.40999             6.00254             5.95627
     C             3.43694             6.72030             5.11164
     C             4.02701             7.04770             3.83451
     C             6.82501             2.66520             4.17064
     C             6.26380             2.34992             5.50146
     C             6.00022             3.60644             6.22933
     C             6.39474             4.69399             5.30407
     C             6.94039             4.10961             4.05575
     C            17.95817             2.49862             2.02462
     C            18.10247             3.48670             2.96854
     C            18.70450             2.52809             0.81950
     H            18.35994             1.87686             0.02748
     C            19.74059             3.42664             0.72536
     H            20.39963             3.46199            -0.15465
     C            19.96880             4.35958             1.73547
     H            20.74929             5.11253             1.63856
     C            19.20137             4.36327             2.89451
     H            19.40940             5.02643             3.74561
           70
 Energy:   -459.1418010386729    
     C             4.46504             2.42963             0.14376
     C             3.03192             2.03653             0.23303
     C             2.21249             3.25727             0.07332
     C             3.13504             4.41548             0.00285
     C             4.50742             3.89598             0.00955
     C             5.68068             0.71818             3.10739
     C             4.93737             0.63317             1.82707
     C             5.39557             1.72153             0.95857
     C             6.41600             2.48855             1.72085
     C             6.59048             1.84548             3.03830
     C             1.64184             0.53413             3.17493
     C             1.41308             1.14397             1.87433
     C             2.61621             0.97304             1.08011
     C             3.57034             0.21267             1.88911
     C             2.97671            -0.06259             3.20359
     C             0.18986             4.33608             2.82477
     C             0.74032             4.66103             1.50792
     C             0.99353             3.38818             0.82145
     C             0.60086             2.30047             1.73787
     C             0.10000             2.89594             2.97668
     C             3.30541             6.96691             2.58906
     C             3.84617             6.41476             1.35458
     C             2.80386             5.67185             0.64008
     C             1.58354             5.80944             1.40533
     C             1.88769             6.60005             2.60802
     C             6.73901             4.69341             2.78448
     C             6.49693             3.91104             1.56346
     C             5.52798             4.61434             0.72714
     C             5.17259             5.87999             1.39594
     C             5.92207             5.92575             2.66372
     C             3.83697             2.60173             6.99315
     C             2.47342             3.13059             6.96426
     C             2.51819             4.59044             6.82843
     C             3.94083             4.98617             6.85985
     C             4.75508             3.73823             6.95069
     C             3.72645            -0.03331             4.43777
     C             3.14907             0.59072             5.65442
     C             4.16536             1.38169             6.34714
     C             5.40952             1.23918             5.57254
     C             5.13055             0.39305             4.39083
     C             0.24850             2.26996             4.23331
     C             0.50270             3.10979             5.41087
     C             1.46897             2.40461             6.23849
     C             1.82294             1.14163             5.58561
     C             1.07532             1.09025             4.33267
     C             1.30411             6.28498             3.87775
     C             2.07254             6.31841             5.10172
     C             1.60808             5.28257             5.99480
     C             0.58080             4.52490             5.27472
     C             0.39424             5.15937             3.94557
     C             5.38999             6.48780             3.85119
     C             5.60939             5.85608             5.17680
     C             4.36779             6.00308             5.94403
     C             3.42579             6.70634             5.10128
     C             4.03896             7.00732             3.79496
     C             6.86797             2.65099             4.19782
     C             6.28640             2.34857             5.50284
     C             5.95561             3.62022             6.17682
     C             6.39567             4.69271             5.26379
     C             6.97877             4.10969             4.05863
     C            18.10472             2.53981             1.99391
     C            18.31487             3.46578             2.97228
     C            18.87356             2.48773             0.80353
     H            18.63094             1.81950            -0.02850
     C            19.90795             3.44134             0.65706
     H            20.52912             3.50849            -0.22851
     C            20.08358             4.33461             1.71478
     H            20.92703             5.00964             1.63518
     C            19.33680             4.40133             2.87397
     H            19.60063             5.11136             3.66071
           70
 Energy:   -459.2801991264446    
     C             4.42251             2.43677             0.21916
     C             3.01895             2.06507             0.24799
     C             2.21354             3.27185             0.11129
     C             3.14330             4.39890             0.03023
     C             4.51331             3.87467             0.10936
     C             5.71780             0.71961             3.11380
     C             4.95383             0.66890             1.86597
     C             5.41367             1.76733             1.00608
     C             6.47246             2.47121             1.70779
     C             6.66777             1.85337             3.02997
     C             1.62921             0.52593             3.16319
     C             1.38138             1.11162             1.84958
     C             2.60613             0.99359             1.08387
     C             3.59217             0.26953             1.88087
     C             2.97798            -0.03425             3.18862
     C             0.13396             4.35480             2.81080
     C             0.71089             4.68960             1.50907
     C             1.01978             3.40297             0.86028
     C             0.60109             2.29942             1.73760
     C             0.06157             2.90195             2.94774
     C             3.27832             6.94986             2.58629
     C             3.88564             6.37905             1.38185
     C             2.83929             5.67213             0.62607
     C             1.56785             5.83428             1.38916
     C             1.87085             6.60184             2.61512
     C             6.79263             4.70041             2.76296
     C             6.57499             3.88442             1.56516
     C             5.53177             4.59706             0.76681
     C             5.20426             5.85863             1.42655
     C             5.96852             5.90349             2.67945
     C             3.82799             2.60791             6.96920
     C             2.45221             3.11624             6.96267
     C             2.52381             4.56222             6.85865
     C             3.92914             4.96960             6.82251
     C             4.75106             3.76347             6.90017
     C             3.71302             0.01125             4.41921
     C             3.11621             0.61357             5.62379
     C             4.16484             1.36731             6.31130
     C             5.38688             1.25427             5.53270
     C             5.12977             0.39662             4.36851
     C             0.21209             2.27340             4.23054
     C             0.48131             3.09786             5.39376
     C             1.45610             2.41279             6.26234
     C             1.80012             1.13556             5.60350
     C             1.04885             1.06603             4.34243
     C             1.30212             6.26275             3.85642
     C             2.03942             6.33539             5.11693
     C             1.58644             5.24019             5.99953
     C             0.54380             4.51408             5.26552
     C             0.38845             5.13937             3.96929
     C             5.41674             6.47399             3.86182
     C             5.59479             5.87012             5.15994
     C             4.36022             6.01641             5.94360
     C             3.39532             6.71626             5.06249
     C             4.05264             6.98160             3.79940
     C             6.94414             2.63133             4.19463
     C             6.29855             2.34685             5.48037
     C             5.93465             3.61690             6.10315
     C             6.40028             4.69574             5.25879
     C             6.98360             4.08692             4.05413
     C            18.24767             2.55002             1.92589
     C            18.47299             3.42955             3.01172
     C            19.04448             2.46930             0.76085
     H            18.91444             1.67682             0.00587
     C            20.00733             3.43385             0.64500
     H            20.58116             3.45323            -0.25109
     C            20.27418             4.35381             1.67112
     H            21.13180             5.01679             1.54488
     C            19.49538             4.44789             2.84705
     H            19.67459             5.19780             3.61553
           70
 Energy:   -459.2196256501792    
     C             4.42336             2.43355             0.29767
     C             3.01480             2.06549             0.24028
     C             2.24132             3.29671             0.14675
     C             3.15480             4.42381             0.04787
     C             4.49567             3.88261             0.17673
     C             5.78465             0.72963             3.12785
     C             4.99574             0.68979             1.90925
     C             5.40160             1.77035             1.05696
     C             6.54404             2.46843             1.69520
     C             6.72716             1.83584             3.01018
     C             1.58409             0.48053             3.16388
     C             1.34758             1.09678             1.83858
     C             2.60326             0.98811             1.06069
     C             3.61539             0.32498             1.90970
     C             2.97209             0.00024             3.17662
     C             0.04945             4.37047             2.81106
     C             0.67690             4.69022             1.51874
     C             1.03121             3.42118             0.87894
     C             0.60616             2.32070             1.74053
     C            -0.00850             2.89844             2.93775
     C             3.30244             6.93820             2.58323
     C             3.91861             6.34721             1.39241
     C             2.85050             5.67190             0.64246
     C             1.57174             5.81534             1.38280
     C             1.86051             6.60512             2.59281
     C             6.86534             4.70600             2.77307
     C             6.59020             3.89433             1.57732
     C             5.58069             4.57475             0.79485
     C             5.25495             5.82342             1.48185
     C             6.03568             5.89487             2.69340
     C             3.84335             2.59306             6.95857
     C             2.46082             3.09969             6.96452
     C             2.50844             4.58307             6.86163
     C             3.93359             4.96678             6.76640
     C             4.73579             3.73732             6.82425
     C             3.69709             0.05641             4.38578
     C             3.09486             0.62852             5.59321
     C             4.14631             1.38540             6.28847
     C             5.38935             1.24181             5.52057
     C             5.11169             0.42156             4.35507
     C             0.20611             2.27649             4.20406
     C             0.45420             3.09266             5.41714
     C             1.41649             2.37569             6.25602
     C             1.75215             1.13334             5.59450
     C             0.99664             1.04834             4.34707
     C             1.25910             6.24661             3.87070
     C             2.00052             6.35499             5.13915
     C             1.56880             5.22871             6.00151
     C             0.52566             4.50090             5.28359
     C             0.35129             5.11703             3.96692
     C             5.41115             6.47251             3.83315
     C             5.61616             5.88130             5.17198
     C             4.35745             6.03726             5.92216
     C             3.39504             6.71336             5.08042
     C             4.03659             6.99467             3.78081
     C             7.01078             2.63437             4.17477
     C             6.29117             2.33217             5.42957
     C             5.93498             3.59621             6.09016
     C             6.38876             4.69162             5.22865
     C             7.01427             4.09914             4.02976
     C            18.38441             2.56380             1.92589
     C            18.66715             3.41193             2.95101
     C            19.16768             2.45378             0.76036
     H            19.08521             1.57311             0.09776
     C            20.15407             3.45363             0.63291
     H            20.76154             3.49708            -0.24409
     C            20.44155             4.38529             1.64451
     H            21.26036             5.09044             1.47857
     C            19.63912             4.41845             2.79106
     H            19.70052             5.21457             3.51849
           70
 Energy:   -458.9733895820027    
     C             4.44058             2.46458             0.33074
     C             3.02976             2.06109             0.24780
     C             2.23739             3.30973             0.14918
     C             3.17719             4.42794             0.06328
     C             4.53725             3.89947             0.19704
     C             5.82401             0.71981             3.15220
     C             4.99816             0.67933             1.94352
     C             5.44731             1.77274             1.07705
     C             6.56397             2.46389             1.69685
     C             6.82104             1.81865             3.01319
     C             1.53180             0.44471             3.13794
     C             1.33866             1.10269             1.83341
     C             2.59324             0.96157             1.06555
     C             3.59980             0.36389             1.93979
     C             2.93290             0.02194             3.18302
     C            -0.03579             4.34928             2.80035
     C             0.65993             4.69652             1.52644
     C             1.03054             3.43170             0.88792
     C             0.59165             2.32536             1.75040
     C            -0.06785             2.89698             2.93624
     C             3.30264             6.93502             2.57204
     C             3.93032             6.32600             1.41151
     C             2.84965             5.66649             0.67231
     C             1.58746             5.78292             1.41218
     C             1.86882             6.58906             2.61490
     C             6.93324             4.71747             2.76842
     C             6.63461             3.88330             1.60350
     C             5.59274             4.57996             0.81892
     C             5.26349             5.81913             1.48313
     C             6.07634             5.92828             2.71046
     C             3.81690             2.59510             6.94506
     C             2.43672             3.09403             6.95430
     C             2.50636             4.57021             6.82303
     C             3.92947             4.94649             6.72356
     C             4.72454             3.71718             6.76969
     C             3.69623             0.08898             4.36874
     C             3.08433             0.65600             5.57212
     C             4.13309             1.37844             6.27254
     C             5.38946             1.23326             5.53300
     C             5.11601             0.44655             4.34020
     C             0.18599             2.28443             4.21274
     C             0.42214             3.06881             5.41983
     C             1.40677             2.36790             6.27532
     C             1.72843             1.08765             5.55940
     C             0.94626             1.03507             4.30317
     C             1.23183             6.27946             3.85844
     C             1.99601             6.34731             5.12820
     C             1.54826             5.27565             6.01134
     C             0.51872             4.49540             5.29974
     C             0.29701             5.12135             3.97912
     C             5.40550             6.49436             3.84352
     C             5.62899             5.89592             5.14383
     C             4.38640             6.02679             5.91656
     C             3.37407             6.72865             5.08304
     C             4.03274             7.00862             3.80048
     C             7.02120             2.64840             4.15387
     C             6.30649             2.32128             5.39134
     C             5.96041             3.57378             6.05588
     C             6.38887             4.67079             5.20313
     C             7.08994             4.10265             4.05953
     C            18.49673             2.51197             1.92045
     C            18.85632             3.41920             2.88809
     C            19.33115             2.48628             0.78086
     H            19.20538             1.65578             0.07953
     C            20.32436             3.45010             0.61134
     H            20.91110             3.44022            -0.30257
     C            20.56624             4.39796             1.60143
     H            21.31456             5.18285             1.52150
     C            19.81592             4.41579             2.74630
     H            19.86458             5.22514             3.45721
           70
 Energy:   -458.9119684946473    
     C             4.48158             2.45387             0.31989
     C             3.05411             2.07904             0.28104
     C             2.24444             3.28654             0.13466
     C             3.19668             4.40666             0.06403
     C             4.56094             3.89986             0.16753
     C             5.83406             0.69869             3.14110
     C             4.98993             0.69411             1.93486
     C             5.46033             1.76066             1.06469
     C             6.59089             2.45153             1.73868
     C             6.85230             1.78619             3.00865
     C             1.49739             0.45223             3.10143
     C             1.32671             1.11006             1.80860
     C             2.59709             1.00289             1.07670
     C             3.58253             0.35167             1.95547
     C             2.90167             0.01263             3.20465
     C            -0.06499             4.37668             2.81155
     C             0.64595             4.68647             1.55113
     C             1.01655             3.41619             0.89873
     C             0.56324             2.31121             1.75258
     C            -0.09114             2.87612             2.93591
     C             3.29112             6.94781             2.62160
     C             3.91020             6.33716             1.43287
     C             2.86420             5.63141             0.69846
     C             1.59751             5.76614             1.47416
     C             1.88837             6.56668             2.64202
     C             6.97258             4.76448             2.79555
     C             6.66519             3.89240             1.61112
     C             5.61955             4.58876             0.84984
     C             5.27151             5.86269             1.48787
     C             6.06889             5.96270             2.69802
     C             3.78438             2.58534             6.91204
     C             2.40464             3.10778             6.92657
     C             2.50789             4.55634             6.76551
     C             3.92739             4.91073             6.69060
     C             4.73036             3.70532             6.75301
     C             3.69582             0.10399             4.36849
     C             3.08634             0.65784             5.54426
     C             4.13269             1.36763             6.29121
     C             5.39714             1.24788             5.53695
     C             5.12715             0.43623             4.37298
     C             0.12415             2.27403             4.21328
     C             0.42425             3.08153             5.42155
     C             1.38457             2.32775             6.24701
     C             1.71306             1.08234             5.54045
     C             0.91989             1.03348             4.28382
     C             1.20447             6.28022             3.86652
     C             2.00243             6.35667             5.08984
     C             1.53143             5.28146             6.00945
     C             0.49527             4.50783             5.29691
     C             0.25559             5.15606             3.97929
     C             5.43443             6.53306             3.84671
     C             5.62755             5.86246             5.13071
     C             4.38011             6.01235             5.91113
     C             3.39469             6.73040             5.08371
     C             4.04268             7.02935             3.80800
     C             7.04123             2.63949             4.15732
     C             6.32115             2.31440             5.40126
     C             5.93683             3.57674             6.02455
     C             6.42391             4.69286             5.20700
     C             7.15917             4.11492             4.05647
     C            18.67517             2.48254             1.90867
     C            18.97733             3.41563             2.88701
     C            19.49323             2.47579             0.74629
     H            19.32911             1.79040            -0.08114
     C            20.49242             3.43186             0.60002
     H            21.10250             3.41470            -0.32180
     C            20.72014             4.43150             1.53013
     H            21.48703             5.16417             1.26165
     C            19.98162             4.44378             2.73782
     H            20.16799             5.20120             3.50057
           70
 Energy:   -458.8723044591457    
     C             4.50387             2.44046             0.25926
     C             3.09568             2.08615             0.29619
     C             2.25570             3.27679             0.15761
     C             3.19368             4.40349             0.05351
     C             4.59064             3.88673             0.14077
     C             5.80103             0.67292             3.13947
     C             4.97455             0.68821             1.92725
     C             5.47345             1.76353             1.06681
     C             6.59798             2.46848             1.72671
     C             6.79644             1.76588             3.04513
     C             1.50470             0.47849             3.11988
     C             1.31769             1.10831             1.78880
     C             2.62208             1.04793             1.11516
     C             3.58221             0.32675             1.93821
     C             2.90476            -0.00606             3.18276
     C            -0.03762             4.36443             2.83492
     C             0.66757             4.66842             1.56436
     C             1.02129             3.40128             0.89049
     C             0.52906             2.30913             1.73270
     C            -0.10896             2.90859             2.94192
     C             3.29368             6.94903             2.64104
     C             3.91505             6.37016             1.45784
     C             2.85445             5.60221             0.75422
     C             1.61155             5.72590             1.49241
     C             1.87185             6.56113             2.67652
     C             6.95976             4.79993             2.78573
     C             6.66520             3.92744             1.64713
     C             5.61080             4.60348             0.82837
     C             5.26715             5.87815             1.48533
     C             6.08436             5.99093             2.70651
     C             3.78265             2.57957             6.90039
     C             2.40083             3.07747             6.86601
     C             2.49843             4.55566             6.72573
     C             3.91648             4.91041             6.67209
     C             4.69478             3.68174             6.76356
     C             3.69700             0.07790             4.36490
     C             3.07625             0.65084             5.56764
     C             4.12579             1.34693             6.29439
     C             5.40009             1.24429             5.55493
     C             5.14093             0.39974             4.36515
     C             0.07588             2.25693             4.22089
     C             0.41129             3.09050             5.38712
     C             1.37077             2.35036             6.21076
     C             1.71942             1.10075             5.51165
     C             0.90467             1.03666             4.29370
     C             1.20590             6.27680             3.87897
     C             2.00463             6.35277             5.11023
     C             1.54441             5.26693             5.95515
     C             0.45604             4.53358             5.27949
     C             0.23325             5.18351             3.98873
     C             5.45792             6.55364             3.85673
     C             5.62050             5.85720             5.14240
     C             4.36822             5.98077             5.88308
     C             3.40880             6.71522             5.08124
     C             4.08647             7.06866             3.82395
     C             7.09294             2.61100             4.17832
     C             6.31847             2.34666             5.42019
     C             5.92638             3.60435             6.02003
     C             6.47180             4.68927             5.22757
     C             7.16934             4.13163             4.05798
     C            18.92495             2.49999             1.89946
     C            19.12026             3.45618             2.88743
     C            19.63410             2.44146             0.67742
     H            19.34881             1.76685            -0.12110
     C            20.64773             3.40677             0.57509
     H            21.30568             3.37733            -0.32364
     C            20.85329             4.45445             1.50292
     H            21.58784             5.25431             1.32187
     C            20.13691             4.43502             2.69064
     H            20.39900             5.08330             3.53016
           70
 Energy:   -458.9739225204041    
     C             4.53250             2.44556             0.20682
     C             3.10233             2.07372             0.27981
     C             2.29037             3.28423             0.19225
     C             3.20750             4.42182             0.07168
     C             4.58796             3.90638             0.09884
     C             5.76667             0.68353             3.13493
     C             4.97832             0.67139             1.91254
     C             5.46487             1.77239             1.04632
     C             6.56056             2.48928             1.75368
     C             6.73978             1.81536             3.05308
     C             1.54071             0.48885             3.13199
     C             1.33006             1.12484             1.83777
     C             2.62917             1.04642             1.12247
     C             3.59127             0.31963             1.92132
     C             2.92685            -0.02423             3.17653
     C             0.02537             4.35887             2.82858
     C             0.70657             4.64069             1.57287
     C             1.02752             3.40224             0.88433
     C             0.50280             2.30308             1.72443
     C            -0.11171             2.88920             2.93963
     C             3.30487             6.97344             2.64683
     C             3.91234             6.35736             1.45788
     C             2.89158             5.59948             0.78489
     C             1.62816             5.71839             1.52249
     C             1.88161             6.56786             2.65767
     C             6.92661             4.77746             2.80683
     C             6.60737             3.92661             1.62976
     C             5.60838             4.62412             0.81667
     C             5.25863             5.88049             1.48278
     C             6.09543             6.00768             2.70180
     C             3.77967             2.55613             6.91210
     C             2.42964             3.08638             6.82162
     C             2.48634             4.51196             6.71247
     C             3.88918             4.89791             6.68718
     C             4.70488             3.70424             6.76188
     C             3.68254             0.02298             4.38257
     C             3.07200             0.61214             5.56530
     C             4.13002             1.33678             6.29068
     C             5.39922             1.21564             5.54572
     C             5.11686             0.37297             4.38091
     C             0.06423             2.25913             4.19865
     C             0.36128             3.11039             5.35470
     C             1.37919             2.39927             6.15636
     C             1.72428             1.13799             5.50638
     C             0.90360             1.03767             4.29040
     C             1.21522             6.30860             3.90151
     C             2.01745             6.34592             5.11737
     C             1.54698             5.22195             5.93761
     C             0.44119             4.53021             5.27417
     C             0.23235             5.19147             3.97817
     C             5.47941             6.55804             3.88501
     C             5.66113             5.87711             5.14381
     C             4.37704             5.94519             5.86026
     C             3.39709             6.71238             5.06715
     C             4.07880             7.09839             3.83609
     C             7.08664             2.62580             4.21370
     C             6.29844             2.33615             5.43784
     C             5.93231             3.60992             6.06759
     C             6.44873             4.71353             5.25179
     C             7.14987             4.11761             4.06357
     C            19.14301             2.50143             1.90414
     C            19.29203             3.48498             2.83247
     C            19.79945             2.46822             0.65675
     H            19.49638             1.72071            -0.05841
     C            20.80944             3.40853             0.51366
     H            21.49669             3.35258            -0.35728
     C            20.96444             4.41002             1.46814
     H            21.69732             5.20531             1.29914
     C            20.28961             4.43364             2.68516
     H            20.56579             5.11311             3.50260
           70
 Energy:   -459.0190441236508    
     C             4.52439             2.45795             0.17909
     C             3.09509             2.07591             0.24956
     C             2.30394             3.29849             0.20755
     C             3.22432             4.41693             0.10531
     C             4.59773             3.93708             0.06157
     C             5.75796             0.73648             3.15444
     C             4.99217             0.67584             1.87102
     C             5.45974             1.76250             1.02943
     C             6.46291             2.50903             1.77383
     C             6.69807             1.87307             3.07089
     C             1.57071             0.47758             3.15117
     C             1.37959             1.15627             1.87097
     C             2.60849             1.02248             1.08870
     C             3.60238             0.31107             1.93339
     C             2.93897            -0.04281             3.18955
     C             0.05974             4.33963             2.82217
     C             0.75683             4.65188             1.57626
     C             1.04826             3.38178             0.88886
     C             0.53070             2.27939             1.71293
     C            -0.10037             2.88031             2.89386
     C             3.31610             7.00581             2.62013
     C             3.93488             6.35899             1.48229
     C             2.89698             5.60943             0.76828
     C             1.67090             5.72929             1.51596
     C             1.90680             6.61216             2.67879
     C             6.87579             4.72660             2.81023
     C             6.55922             3.91121             1.62744
     C             5.58816             4.64026             0.80152
     C             5.27494             5.89476             1.49079
     C             6.07399             5.98952             2.70337
     C             3.81196             2.56683             6.91008
     C             2.42507             3.06670             6.82157
     C             2.50626             4.51144             6.72062
     C             3.89901             4.90510             6.68783
     C             4.70929             3.69351             6.81211
     C             3.68230            -0.03751             4.40019
     C             3.05229             0.59675             5.57187
     C             4.12220             1.31890             6.28568
     C             5.37773             1.19786             5.53660
     C             5.09922             0.35906             4.36208
     C             0.07617             2.24536             4.17561
     C             0.34354             3.09484             5.35747
     C             1.40072             2.43018             6.11529
     C             1.72663             1.15486             5.49978
     C             0.93122             1.04817             4.28356
     C             1.20760             6.33787             3.87793
     C             2.01332             6.31488             5.11923
     C             1.53881             5.20713             5.95875
     C             0.44249             4.53401             5.25212
     C             0.27442             5.19806             3.95384
     C             5.47118             6.60053             3.85459
     C             5.65235             5.90543             5.17015
     C             4.36539             5.95036             5.87221
     C             3.41646             6.69484             5.08546
     C             4.07884             7.08757             3.82544
     C             6.98690             2.64542             4.21886
     C             6.29189             2.31078             5.46647
     C             5.95493             3.58720             6.11043
     C             6.44214             4.68456             5.25939
     C             7.09034             4.11043             4.10543
     C            19.29299             2.46349             1.89167
     C            19.43113             3.48142             2.82436
     C            19.97389             2.48215             0.65920
     H            19.79496             1.72300            -0.08618
     C            20.95159             3.41849             0.44317
     H            21.62216             3.43990            -0.42756
     C            21.13462             4.39035             1.43101
     H            21.87604             5.15675             1.22372
     C            20.46425             4.46212             2.66209
     H            20.68020             5.24136             3.41305
           70
 Energy:   -459.2021813722031    
     C             4.51113             2.45381             0.16831
     C             3.08845             2.07067             0.23151
     C             2.30393             3.29193             0.18666
     C             3.21784             4.42064             0.10122
     C             4.59745             3.91290             0.06027
     C             5.72938             0.75465             3.12875
     C             4.98872             0.66412             1.89014
     C             5.42944             1.76480             0.99941
     C             6.40624             2.52548             1.76482
     C             6.61285             1.88992             3.05230
     C             1.58940             0.48078             3.14062
     C             1.41627             1.13396             1.85619
     C             2.65470             0.99872             1.07636
     C             3.61122             0.29795             1.91566
     C             2.94550            -0.06980             3.18644
     C             0.06945             4.34165             2.79995
     C             0.79202             4.64513             1.57327
     C             1.09038             3.39970             0.89051
     C             0.59181             2.29613             1.70296
     C            -0.07783             2.87342             2.88736
     C             3.33630             7.03614             2.62500
     C             3.95314             6.39252             1.45766
     C             2.92882             5.65486             0.76162
     C             1.67478             5.77436             1.51538
     C             1.91604             6.64802             2.64664
     C             6.81109             4.71604             2.83249
     C             6.51959             3.92400             1.64458
     C             5.59528             4.65541             0.78935
     C             5.28672             5.90460             1.47345
     C             6.05652             5.94543             2.72908
     C             3.80112             2.54621             6.90850
     C             2.45123             3.07678             6.85616
     C             2.51206             4.53721             6.74874
     C             3.94389             4.89436             6.71119
     C             4.74124             3.69261             6.86972
     C             3.68218            -0.06221             4.41430
     C             3.05149             0.58868             5.58926
     C             4.10210             1.31982             6.28806
     C             5.35235             1.18818             5.54140
     C             5.10427             0.37190             4.35273
     C             0.09149             2.24001             4.15587
     C             0.37452             3.09484             5.33656
     C             1.41164             2.39510             6.13413
     C             1.73968             1.14635             5.48486
     C             0.96031             1.04939             4.27519
     C             1.23458             6.32703             3.88562
     C             2.02141             6.32021             5.11412
     C             1.53304             5.23538             5.96017
     C             0.45498             4.51989             5.23591
     C             0.30705             5.17009             3.92531
     C             5.47260             6.59070             3.87379
     C             5.64191             5.89870             5.16866
     C             4.37987             5.99060             5.91039
     C             3.39051             6.68141             5.06525
     C             4.06839             7.07477             3.83148
     C             6.89211             2.65577             4.21669
     C             6.27219             2.29283             5.49323
     C             5.95929             3.56659             6.16478
     C             6.39994             4.70052             5.30996
     C             7.00597             4.09833             4.09002
     C            19.42300             2.46463             1.88601
     C            19.60640             3.47518             2.82623
     C            20.14182             2.42339             0.63430
     H            19.97224             1.65525            -0.12979
     C            21.08516             3.46552             0.43094
     H            21.57465             3.47312            -0.53506
     C            21.35594             4.42407             1.40720
     H            22.10650             5.18571             1.24068
     C            20.59821             4.44949             2.57913
     H            20.74479             5.25878             3.29659
           70
 Energy:   -459.1890944398125    
     C             4.49297             2.43233             0.15473
     C             3.09813             2.05379             0.21696
     C             2.31308             3.28861             0.13142
     C             3.22378             4.44473             0.06736
     C             4.58179             3.90948             0.09350
     C             5.68673             0.71689             3.12481
     C             4.96215             0.65169             1.86358
     C             5.39932             1.73647             1.00887
     C             6.40448             2.52547             1.73173
     C             6.54088             1.89947             3.04030
     C             1.60172             0.47508             3.10139
     C             1.41995             1.11290             1.78645
     C             2.68975             0.99939             1.07617
     C             3.62479             0.24209             1.91180
     C             2.96048            -0.09039             3.16376
     C             0.07111             4.34653             2.76971
     C             0.81105             4.67665             1.55823
     C             1.12456             3.42529             0.89253
     C             0.65214             2.31004             1.71711
     C            -0.03484             2.87687             2.88226
     C             3.34146             7.05034             2.61517
     C             3.96834             6.47017             1.42401
     C             2.92527             5.66633             0.73931
     C             1.66795             5.80004             1.47190
     C             1.90473             6.66885             2.64691
     C             6.75712             4.72051             2.84646
     C             6.50929             3.93056             1.65297
     C             5.60020             4.65158             0.76671
     C             5.29191             5.92952             1.46355
     C             6.00609             5.96805             2.73902
     C             3.79808             2.56083             6.94887
     C             2.42371             3.10173             6.87326
     C             2.52290             4.55520             6.76685
     C             3.95446             4.92754             6.76861
     C             4.73071             3.66387             6.91789
     C             3.68526            -0.03959             4.39704
     C             3.07062             0.55682             5.57895
     C             4.09819             1.31939             6.29316
     C             5.35438             1.19825             5.56081
     C             5.08742             0.37875             4.37495
     C             0.13649             2.24506             4.16526
     C             0.44326             3.08139             5.32776
     C             1.41409             2.37829             6.18640
     C             1.75983             1.11398             5.49736
     C             0.96922             1.04270             4.24819
     C             1.27479             6.28894             3.84998
     C             2.01239             6.34772             5.10758
     C             1.55585             5.24438             5.97117
     C             0.50612             4.51209             5.23637
     C             0.33305             5.15618             3.92860
     C             5.45038             6.52889             3.91366
     C             5.62924             5.89222             5.20329
     C             4.37323             6.01728             5.93483
     C             3.40163             6.68513             5.07883
     C             4.08743             7.06752             3.84426
     C             6.83110             2.63409             4.20068
     C             6.23988             2.31027             5.49824
     C             5.97651             3.56798             6.21343
     C             6.37921             4.67745             5.33215
     C             6.90421             4.09635             4.12289
     C            19.56778             2.47189             1.84182
     C            19.80326             3.43727             2.77153
     C            20.30876             2.41810             0.66576
     H            20.09200             1.61783            -0.05380
     C            21.19417             3.46544             0.41777
     H            21.64376             3.60944            -0.54491
     C            21.52722             4.43680             1.38363
     H            22.33742             5.12392             1.17616
     C            20.73856             4.47412             2.52240
     H            20.83630             5.26690             3.25501
           70
 Energy:   -459.1119164272647    
     C             4.51137             2.44262             0.16547
     C             3.09151             2.06113             0.18351
     C             2.31136             3.30655             0.07870
     C             3.23035             4.44595             0.03451
     C             4.58915             3.90798             0.10400
     C             5.66890             0.70461             3.12284
     C             4.96985             0.59833             1.84745
     C             5.40518             1.72861             0.99152
     C             6.39683             2.48086             1.72904
     C             6.53197             1.87116             3.05287
     C             1.58668             0.44760             3.06327
     C             1.42670             1.10360             1.76361
     C             2.68235             0.97915             1.04089
     C             3.59671             0.20039             1.86024
     C             2.94947            -0.09647             3.14984
     C             0.08303             4.36824             2.78446
     C             0.78751             4.70132             1.52773
     C             1.15217             3.42657             0.87916
     C             0.69058             2.32735             1.71094
     C             0.02826             2.89857             2.89073
     C             3.33942             7.07095             2.62048
     C             3.94188             6.49881             1.37515
     C             2.92608             5.69532             0.68634
     C             1.67867             5.83530             1.43145
     C             1.93023             6.64991             2.60801
     C             6.71495             4.72691             2.86449
     C             6.52243             3.91877             1.63588
     C             5.58700             4.67818             0.78627
     C             5.27399             5.96893             1.43497
     C             5.98281             5.97493             2.72578
     C             3.76129             2.55123             6.99182
     C             2.42155             3.10559             6.89946
     C             2.52601             4.57155             6.78313
     C             3.93105             4.94196             6.83896
     C             4.72332             3.71124             6.95317
     C             3.68563            -0.00966             4.37012
     C             3.07300             0.55562             5.57837
     C             4.09185             1.32901             6.32792
     C             5.34796             1.20126             5.57747
     C             5.08935             0.37424             4.37953
     C             0.21117             2.26875             4.15661
     C             0.49609             3.08285             5.35014
     C             1.41994             2.34743             6.19097
     C             1.74337             1.07606             5.52179
     C             1.00937             1.02569             4.24543
     C             1.28069             6.26267             3.83995
     C             2.02993             6.35890             5.10880
     C             1.58799             5.26318             5.96644
     C             0.57681             4.49354             5.24017
     C             0.35891             5.13970             3.93778
     C             5.41670             6.49823             3.92436
     C             5.61992             5.87068             5.27194
     C             4.35453             5.99550             5.99032
     C             3.41056             6.73056             5.12108
     C             4.07571             7.04850             3.84724
     C             6.77597             2.66075             4.21525
     C             6.22569             2.31633             5.50642
     C             5.95933             3.56139             6.24612
     C             6.35649             4.65941             5.36454
     C             6.85245             4.08569             4.10510
     C            19.69986             2.44633             1.82260
     C            20.00722             3.44578             2.72993
     C            20.47657             2.42393             0.63696
     H            20.35992             1.60112            -0.08394
     C            21.34061             3.46912             0.38746
     H            21.76780             3.48977            -0.59822
     C            21.63637             4.40865             1.34379
     H            22.45147             5.10235             1.19053
     C            20.90099             4.52286             2.52390
     H            20.99146             5.33009             3.24180
