 21
 Energy -312.05025622    Point 1
  C   0.738352  -0.083432  -0.871229
  C   1.388694   0.672374   0.108935
  C  -0.606199  -0.123649  -0.100292
  C   0.313691   0.492954   0.984776
  C  -1.163161  -1.513413   0.203838
  C  -1.671146   0.836052  -0.642043
  H   2.392329   1.078060   0.212573
  C   0.134206   0.649238   2.424873
  C   1.168217  -0.754372  -2.094204
  H  -0.396734  -2.198673   0.592231
  H  -1.973560  -1.446734   0.943027
  H  -1.596531  -1.957940  -0.702911
  H  -2.110701   0.432347  -1.564692
  H  -2.488044   0.944794   0.084815
  H  -1.261185   1.831256  -0.857436
  H  -0.176213  -0.309785   2.875325
  H   1.021458   1.037016   2.935164
  H  -0.726178   1.323690   2.597632
  H   2.225024  -0.594930  -2.330297
  H   0.950765  -1.835028  -2.030767
  H   0.535911  -0.396721  -2.929146
 21
 Energy -312.05022427    Point 2   Kin_en 0.263274
  C   0.730919  -0.068152  -0.869816
  C   1.362469   0.736029   0.083125
  C  -0.615964  -0.113803  -0.105597
  C   0.309414   0.504022   0.972457
  C  -1.175735  -1.501918   0.197435
  C  -1.678978   0.848697  -0.647750
  H   2.356045   1.167763   0.176361
  C   0.168001   0.590446   2.424320
  C   1.191482  -0.798861  -2.048484
  H  -0.411855  -2.189934   0.585990
  H  -1.986491  -1.433607   0.936039
  H  -1.609736  -1.944790  -0.709778
  H  -2.118010   0.445719  -1.570893
  H  -2.495507   0.958320   0.079293
  H  -1.266325   1.842695  -0.862118
  H  -0.104751  -0.394502   2.840680
  H   1.059932   0.978858   2.925811
  H  -0.702606   1.235670   2.648951
  H   2.249727  -0.635809  -2.275237
  H   0.988549  -1.877391  -1.932345
  H   0.568905  -0.492216  -2.910499
 21
 Energy -312.05012861    Point 3   Kin_en 0.277946
  C   0.722673  -0.053127  -0.867095
  C   1.335183   0.795802   0.058313
  C  -0.627389  -0.103542  -0.111400
  C   0.304767   0.514262   0.958957
  C  -1.190258  -1.489863   0.190453
  C  -1.688266   0.861819  -0.653958
  H   2.318958   1.250854   0.142064
  C   0.205838   0.531927   2.418726
  C   1.216438  -0.839942  -1.997645
  H  -0.429331  -2.181106   0.579073
  H  -2.001260  -1.419517   0.928570
  H  -1.625017  -1.930677  -0.717379
  H  -2.126773   0.459588  -1.577563
  H  -2.504415   0.972302   0.073239
  H  -1.272863   1.854584  -0.867259
  H  -0.011653  -0.480925   2.798339
  H   1.098677   0.933017   2.908427
  H  -0.681011   1.130932   2.698486
  H   2.273294  -0.662595  -2.220018
  H   1.041640  -1.914661  -1.819804
  H   0.597923  -0.599577  -2.882718
 21
 Energy -312.04992790    Point 4   Kin_en 0.277618
  C   0.714028  -0.038506  -0.863368
  C   1.308143   0.850669   0.035090
  C  -0.639563  -0.093854  -0.117212
  C   0.300207   0.523272   0.944854
  C  -1.206271  -1.478019   0.183128
  C  -1.697762   0.875023  -0.660262
  H   2.282611   1.326365   0.110331
  C   0.245508   0.475396   2.408467
  C   1.241369  -0.876598  -1.943604
  H  -0.448866  -2.172925   0.571840
  H  -2.017622  -1.405289   0.920577
  H  -1.641760  -1.916363  -0.725501
  H  -2.135800   0.473680  -1.584372
  H  -2.513526   0.986742   0.067051
  H  -1.279119   1.866337  -0.872481
  H   0.095901  -0.563457   2.748235
  H   1.134063   0.899196   2.886747
  H  -0.660116   1.014171   2.742149
  H   2.293419  -0.676684  -2.169628
  H   1.106137  -1.943197  -1.696745
  H   0.621524  -0.715065  -2.844512
 21
 Energy -312.04958011    Point 5   Kin_en 0.278959
  C   0.705162  -0.025168  -0.859014
  C   1.282353   0.898732   0.014282
  C  -0.652385  -0.084362  -0.123096
  C   0.295436   0.531037   0.930877
  C  -1.223906  -1.465915   0.175655
  C  -1.707299   0.888438  -0.666867
  H   2.248602   1.391567   0.082320
  C   0.285979   0.421926   2.394504
  C   1.265970  -0.908378  -1.888346
  H  -0.470888  -2.165161   0.564701
  H  -2.035691  -1.389919   0.912270
  H  -1.660278  -1.901386  -0.733905
  H  -2.144782   0.488201  -1.591627
  H  -2.522883   1.001624   0.060297
  H  -1.285094   1.878214  -0.877836
  H   0.229309  -0.639561   2.690148
  H   1.159552   0.886296   2.862933
  H  -0.643693   0.875814   2.780159
  H   2.306891  -0.673486  -2.132163
  H   1.190388  -1.959566  -1.562069
  H   0.636270  -0.844482  -2.793214
 21
 Energy -312.04903988    Point 6   Kin_en 0.279331
  C   0.696077  -0.012749  -0.853642
  C   1.257554   0.942144  -0.004561
  C  -0.665802  -0.074952  -0.128772
  C   0.290427   0.537636   0.917064
  C  -1.242744  -1.453432   0.169557
  C  -1.716792   0.901113  -0.675413
  H   2.216546   1.449377   0.057417
  C   0.327628   0.369654   2.377151
  C   1.289736  -0.935798  -1.831779
  H  -0.494329  -2.157502   0.558184
  H  -2.053928  -1.373054   0.906372
  H  -1.681704  -1.885903  -0.740151
  H  -2.150790   0.501740  -1.602093
  H  -2.534312   1.014781   0.049352
  H  -1.291382   1.889776  -0.883860
  H   0.376117  -0.704904   2.623634
  H   1.177522   0.882215   2.839416
  H  -0.621887   0.724970   2.810877
  H   2.315136  -0.663542  -2.101959
  H   1.281347  -1.961559  -1.425383
  H   0.650656  -0.974292  -2.729901
 21
 Energy -312.04828008    Point 7   Kin_en 0.277691
  C   0.686906  -0.000485  -0.846750
  C   1.232427   0.982922  -0.021508
  C  -0.680027  -0.065915  -0.133354
  C   0.284764   0.543511   0.904065
  C  -1.263799  -1.439459   0.169850
  C  -1.725157   0.910878  -0.691026
  H   2.184749   1.502848   0.035295
  C   0.372253   0.315029   2.356393
  C   1.312866  -0.957100  -1.774858
  H  -0.519994  -2.149174   0.556332
  H  -2.070370  -1.350188   0.910771
  H  -1.711386  -1.870118  -0.736401
  H  -2.145449   0.511326  -1.623897
  H  -2.551879   1.022055   0.023430
  H  -1.297652   1.899779  -0.892716
  H   0.516190  -0.762463   2.546626
  H   1.198794   0.866702   2.816633
  H  -0.584546   0.575792   2.835589
  H   2.320943  -0.651350  -2.073847
  H   1.368613  -1.949509  -1.295774
  H   0.669701  -1.091305  -2.659255
 21
 Energy -312.04722138    Point 8   Kin_en 0.27562
  C   0.678075   0.011392  -0.837490
  C   1.207236   1.020582  -0.035261
  C  -0.695075  -0.057764  -0.135168
  C   0.277966   0.547895   0.893203
  C  -1.289457  -1.422559   0.182770
  C  -1.730375   0.914867  -0.719150
  H   2.153348   1.551850   0.017511
  C   0.420195   0.256968   2.332696
  C   1.335678  -0.968349  -1.722417
  H  -0.551739  -2.138642   0.568435
  H  -2.086748  -1.315110   0.931489
  H  -1.752694  -1.855376  -0.714294
  H  -2.121078   0.511048  -1.662978
  H  -2.577261   1.022103  -0.028383
  H  -1.301971   1.905131  -0.910988
  H   0.638594  -0.817146   2.460563
  H   1.230557   0.832321   2.793237
  H  -0.531008   0.436144   2.855947
  H   2.325972  -0.631898  -2.047710
  H   1.448339  -1.926042  -1.186302
  H   0.693809  -1.182533  -2.590515
 21
 Energy -312.04570636    Point 9   Kin_en 0.275555
  C   0.670634   0.021908  -0.826211
  C   1.183209   1.052800  -0.044593
  C  -0.710036  -0.051454  -0.132961
  C   0.270054   0.550601   0.886017
  C  -1.321075  -1.401958   0.210291
  C  -1.730419   0.911179  -0.759737
  H   2.123511   1.594294   0.005165
  C   0.468507   0.198043   2.307648
  C   1.358048  -0.967268  -1.680760
  H  -0.594159  -2.123673   0.605089
  H  -2.109931  -1.263701   0.963205
  H  -1.800316  -1.843820  -0.673515
  H  -2.076631   0.496795  -1.716377
  H  -2.606302   1.014355  -0.105803
  H  -1.302531   1.903329  -0.941839
  H   0.739699  -0.869704   2.370117
  H   1.272026   0.782903   2.768561
  H  -0.467675   0.309964   2.873177
  H   2.329171  -0.599059  -2.029602
  H   1.523776  -1.894071  -1.105780
  H   0.719889  -1.244583  -2.532480
 21
 Energy -312.04354261    Point 10   Kin_en 0.277534
  C   0.665793   0.031469  -0.813915
  C   1.161125   1.080405  -0.049998
  C  -0.724002  -0.047275  -0.126610
  C   0.262002   0.550961   0.881891
  C  -1.358074  -1.378236   0.249260
  C  -1.725126   0.899865  -0.807575
  H   2.095027   1.632794  -0.002192
  C   0.513985   0.140753   2.282002
  C   1.379849  -0.956191  -1.651287
  H  -0.648153  -2.103164   0.667554
  H  -2.143622  -1.197815   0.997067
  H  -1.847582  -1.836030  -0.620303
  H  -2.017918   0.469314  -1.774984
  H  -2.633714   0.999809  -0.199715
  H  -1.299074   1.893954  -0.982461
  H   0.817756  -0.919860   2.281861
  H   1.318897   0.724631   2.741927
  H  -0.402187   0.200389   2.885705
  H   2.331792  -0.556874  -2.019110
  H   1.591947  -1.859126  -1.054262
  H   0.746559  -1.279048  -2.489660
 21
 Energy -312.04059609    Point 11   Kin_en 0.278432
  C   0.664351   0.040809  -0.801142
  C   1.140349   1.106000  -0.052640
  C  -0.735383  -0.045929  -0.118263
  C   0.254430   0.549636   0.879687
  C  -1.398480  -1.351410   0.294530
  C  -1.714416   0.881292  -0.857093
  H   2.066355   1.671306  -0.006213
  C   0.554766   0.085878   2.255826
  C   1.399591  -0.938782  -1.631140
  H  -0.712829  -2.077154   0.749252
  H  -2.184798  -1.118077   1.027206
  H  -1.894101  -1.830170  -0.559732
  H  -1.952277   0.431545  -1.830966
  H  -2.653767   0.977695  -0.297601
  H  -1.291788   1.877364  -1.028238
  H   0.875096  -0.967998   2.196277
  H   1.367084   0.660716   2.714148
  H  -0.339717   0.104468   2.892955
  H   2.333112  -0.511387  -2.014781
  H   1.650651  -1.824318  -1.023583
  H   0.769879  -1.293405  -2.458724
 21
 Energy -312.03677583    Point 12   Kin_en 0.273728
  C   0.676409   0.053822  -0.787727
  C   1.121507   1.135186  -0.051741
  C  -0.745894  -0.046353  -0.104088
  C   0.244620   0.544844   0.875163
  C  -1.443374  -1.324948   0.343458
  C  -1.699736   0.857816  -0.902315
  H   2.030905   1.725856   0.002598
  C   0.588706   0.034490   2.225260
  C   1.417884  -0.922623  -1.620748
  H  -0.786719  -2.050097   0.839059
  H  -2.233482  -1.038407   1.053419
  H  -1.940284  -1.823227  -0.498395
  H  -1.883995   0.387572  -1.878228
  H  -2.666936   0.950173  -0.391711
  H  -1.281482   1.855743  -1.072455
  H   0.915163  -1.013202   2.115923
  H   1.411063   0.598540   2.678856
  H  -0.284188   0.023236   2.891352
  H   2.335134  -0.480113  -2.026395
  H   1.698288  -1.796626  -1.009688
  H   0.780000  -1.295305  -2.433602
 21
 Energy -312.03154402    Point 13   Kin_en 0.25824
  C   0.723393   0.075446  -0.776798
  C   1.111065   1.167651  -0.050258
  C  -0.772976  -0.042241  -0.071565
  C   0.229885   0.530073   0.860743
  C  -1.490066  -1.307480   0.388674
  C  -1.686877   0.835984  -0.935559
  H   1.982923   1.809408   0.029135
  C   0.611873  -0.007150   2.191516
  C   1.435226  -0.916294  -1.621464
  H  -0.850375  -2.028467   0.910971
  H  -2.288810  -0.998028   1.080134
  H  -1.978759  -1.815479  -0.451939
  H  -1.826050   0.345555  -1.908795
  H  -2.677867   0.929402  -0.471585
  H  -1.269375   1.833668  -1.106395
  H   0.945138  -1.049858   2.063139
  H   1.439519   0.558438   2.633657
  H  -0.243981  -0.029350   2.878980
  H   2.341713  -0.481572  -2.059830
  H   1.730980  -1.784330  -1.009761
  H   0.771734  -1.289944  -2.412566
 21
 Energy -312.02448966    Point 14   Kin_en 0.276241
  C   0.801512   0.101394  -0.769837
  C   1.109485   1.197339  -0.052298
  C  -0.822588  -0.033527  -0.025893
  C   0.214426   0.506373   0.836919
  C  -1.531753  -1.298823   0.423754
  C  -1.678117   0.818736  -0.955862
  H   1.924628   1.905364   0.056677
  C   0.625576  -0.037175   2.161383
  C   1.448939  -0.916641  -1.626461
  H  -0.891989  -2.011529   0.956339
  H  -2.341592  -0.996504   1.107179
  H  -2.008297  -1.809257  -0.422373
  H  -1.788989   0.311538  -1.923992
  H  -2.687011   0.918702  -0.530056
  H  -1.256885   1.813982  -1.127239
  H   0.970501  -1.076279   2.042483
  H   1.451699   0.541926   2.589471
  H  -0.219880  -0.054786   2.861828
  H   2.348282  -0.501639  -2.099990
  H   1.751204  -1.782940  -1.016420
  H   0.754172  -1.279232  -2.395138
 21
 Energy -312.01893904    Point 15   Kin_en 0.279529
  C   0.888460   0.126013  -0.762773
  C   1.109809   1.224720  -0.056408
  C  -0.879088  -0.024809   0.017921
  C   0.203064   0.479120   0.808634
  C  -1.570950  -1.291262   0.454467
  C  -1.671947   0.802961  -0.969607
  H   1.857856   1.999478   0.075910
  C   0.635695  -0.062927   2.133906
  C   1.460905  -0.916196  -1.629559
  H  -0.925194  -1.993711   0.992704
  H  -2.389976  -1.002570   1.134903
  H  -2.038696  -1.803260  -0.395957
  H  -1.764678   0.279574  -1.931465
  H  -2.695104   0.913079  -0.577577
  H  -1.243450   1.793992  -1.143432
  H   0.993232  -1.098778   2.032263
  H   1.457441   0.532020   2.549567
  H  -0.202434  -0.071605   2.843334
  H   2.352248  -0.521310  -2.137173
  H   1.767890  -1.783886  -1.024918
  H   0.735873  -1.263009  -2.377443
 21
 Energy -312.01636616    Point 16   Kin_en 0.277786
  C   0.973334   0.149191  -0.753536
  C   1.108074   1.251532  -0.060610
  C  -0.931222  -0.018326   0.053545
  C   0.196534   0.449114   0.777815
  C  -1.614565  -1.279385   0.488710
  C  -1.668162   0.785564  -0.981448
  H   1.781444   2.088864   0.089966
  C   0.645869  -0.090027   2.105235
  C   1.476547  -0.911128  -1.629668
  H  -0.964385  -1.973992   1.031409
  H  -2.437216  -0.997003   1.169253
  H  -2.081570  -1.793360  -0.361410
  H  -1.744509   0.243070  -1.935089
  H  -2.703645   0.908240  -0.623628
  H  -1.229483   1.770588  -1.161949
  H   1.013749  -1.123115   2.018231
  H   1.463849   0.517934   2.510295
  H  -0.185148  -0.090623   2.823039
  H   2.355400  -0.533618  -2.173314
  H   1.791243  -1.781095  -1.033265
  H   0.720733  -1.242951  -2.354060
 21
 Energy -312.01582497    Point 17   Kin_en 0.276732
  C   1.048735   0.171604  -0.744072
  C   1.102935   1.276137  -0.064103
  C  -0.973884  -0.015499   0.079028
  C   0.193676   0.417322   0.746667
  C  -1.664968  -1.259971   0.530534
  C  -1.667073   0.765204  -0.993447
  H   1.699593   2.166786   0.102877
  C   0.657288  -0.120643   2.074439
  C   1.500725  -0.899551  -1.627776
  H  -1.016031  -1.951801   1.078175
  H  -2.483270  -0.967708   1.213392
  H  -2.142298  -1.777365  -0.312236
  H  -1.728927   0.199384  -1.935667
  H  -2.712009   0.903519  -0.668475
  H  -1.215483   1.741693  -1.187410
  H   1.031379  -1.151987   1.995274
  H   1.474460   0.494991   2.470043
  H  -0.165450  -0.115500   2.801639
  H   2.366102  -0.535053  -2.202274
  H   1.822792  -1.772428  -1.040416
  H   0.718341  -1.218577  -2.330023
 21
 Energy -312.01608888    Point 18   Kin_en 0.276511
  C   1.109819   0.193008  -0.737338
  C   1.094752   1.295893  -0.066657
  C  -1.006474  -0.016518   0.095616
  C   0.192541   0.385616   0.717773
  C  -1.719602  -1.232391   0.579486
  C  -1.668606   0.741836  -1.006261
  H   1.619561   2.227551   0.116538
  C   0.669308  -0.154239   2.043159
  C   1.535237  -0.881616  -1.626025
  H  -1.077707  -1.927146   1.131766
  H  -2.522038  -0.911350   1.269122
  H  -2.221757  -1.752943  -0.246986
  H  -1.721526   0.149034  -1.933387
  H  -2.718950   0.899536  -0.708461
  H  -1.201120   1.706401  -1.221139
  H   1.043691  -1.185581   1.965109
  H   1.489821   0.462909   2.429708
  H  -0.143907  -0.144416   2.780820
  H   2.395182  -0.525349  -2.214242
  H   1.855592  -1.760094  -1.046813
  H   0.738743  -1.186734  -2.319073
 21
 Energy -312.01660550    Point 19   Kin_en 0.277282
  C   1.155837   0.212897  -0.734489
  C   1.084965   1.309804  -0.067600
  C  -1.031360  -0.020085   0.106040
  C   0.191550   0.355163   0.692561
  C  -1.774519  -1.197769   0.632326
  C  -1.671392   0.715951  -1.020437
  H   1.547326   2.270446   0.132521
  C   0.680388  -0.189559   2.013526
  C   1.578105  -0.858825  -1.625991
  H  -1.142992  -1.902275   1.184418
  H  -2.546747  -0.834632   1.336142
  H  -2.316652  -1.716531  -0.169553
  H  -1.724042   0.093219  -1.928627
  H  -2.722945   0.898251  -0.742188
  H  -1.185205   1.664550  -1.263103
  H   1.043845  -1.224723   1.933063
  H   1.511720   0.420109   2.388580
  H  -0.121021  -0.169596   2.763718
  H   2.431879  -0.498569  -2.221009
  H   1.905255  -1.737720  -1.051684
  H   0.776594  -1.162941  -2.313898
 21
 Energy -312.01714031    Point 20   Kin_en 0.278685
  C   1.190648   0.230771  -0.734029
  C   1.074094   1.319420  -0.067692
  C  -1.051466  -0.024706   0.112979
  C   0.190712   0.325807   0.670293
  C  -1.826499  -1.158141   0.685739
  C  -1.674845   0.688384  -1.035273
  H   1.481245   2.301073   0.148817
  C   0.689116  -0.225647   1.986276
  C   1.625917  -0.833124  -1.627479
  H  -1.206002  -1.879980   1.228355
  H  -2.552338  -0.748221   1.413490
  H  -2.422116  -1.665326  -0.084566
  H  -1.734122   0.034316  -1.921482
  H  -2.724703   0.898118  -0.771118
  H  -1.169495   1.618087  -1.309739
  H   1.024014  -1.270432   1.905013
  H   1.542056   0.364004   2.343972
  H  -0.096891  -0.181557   2.751597
  H   2.468399  -0.456649  -2.228593
  H   1.973143  -1.706112  -1.056268
  H   0.824963  -1.150413  -2.310088
 21
 Energy -312.01762569    Point 21   Kin_en 0.278972
  C   1.218327   0.246663  -0.733904
  C   1.062108   1.326584  -0.067629
  C  -1.068579  -0.029833   0.117603
  C   0.190012   0.297029   0.649503
  C  -1.873683  -1.115517   0.737976
  C  -1.678970   0.659896  -1.050021
  H   1.417581   2.324588   0.163684
  C   0.695190  -0.261695   1.960812
  C   1.675741  -0.805733  -1.629433
  H  -1.264471  -1.862971   1.259148
  H  -2.535263  -0.660543   1.499938
  H  -2.533772  -1.597905   0.006030
  H  -1.751405  -0.025951  -1.911528
  H  -2.724639   0.900014  -0.796105
  H  -1.153462   1.567156  -1.359289
  H   0.982332  -1.320996   1.883675
  H   1.579979   0.294178   2.293622
  H  -0.070031  -0.177032   2.743777
  H   2.506158  -0.407889  -2.233577
  H   2.046239  -1.670688  -1.060811
  H   0.879512  -1.141120  -2.308854
 21
 Energy -312.01800170    Point 22   Kin_en 0.278574
  C   1.240613   0.261107  -0.733474
  C   1.049643   1.332391  -0.067300
  C  -1.083748  -0.035139   0.120296
  C   0.189394   0.269174   0.629417
  C  -1.915181  -1.071464   0.787728
  C  -1.684365   0.631019  -1.064386
  H   1.356375   2.343048   0.177423
  C   0.698896  -0.297574   1.936438
  C   1.726137  -0.777547  -1.630369
  H  -1.318858  -1.850791   1.277519
  H  -2.498429  -0.578477   1.589324
  H  -2.643159  -1.517348   0.099280
  H  -1.786963  -0.088670  -1.895179
  H  -2.719839   0.913695  -0.812535
  H  -1.133492   1.506971  -1.416354
  H   0.917814  -1.373775   1.870053
  H   1.624300   0.208488   2.235445
  H  -0.036872  -0.155093   2.739365
  H   2.543003  -0.355492  -2.236387
  H   2.122508  -1.631709  -1.062979
  H   0.937572  -1.135406  -2.307185
 21
 Energy -312.01824225    Point 23   Kin_en 0.27866
  C   1.258805   0.274293  -0.732426
  C   1.035759   1.337551  -0.067511
  C  -1.097605  -0.040338   0.121648
  C   0.189287   0.241140   0.609284
  C  -1.951325  -1.027047   0.834026
  C  -1.691178   0.602970  -1.077563
  H   1.294565   2.358439   0.188748
  C   0.701352  -0.332702   1.912698
  C   1.776625  -0.749420  -1.628968
  H  -1.372182  -1.844672   1.282129
  H  -2.443725  -0.507593   1.678739
  H  -2.747316  -1.423973   0.193683
  H  -1.842736  -0.150316  -1.870545
  H  -2.708475   0.942461  -0.820986
  H  -1.109871   1.436194  -1.479970
  H   0.836723  -1.423497   1.865321
  H   1.670352   0.109881   2.170148
  H   0.005529  -0.119826   2.735969
  H   2.580518  -0.303181  -2.234754
  H   2.197840  -1.591014  -1.060675
  H   0.998793  -1.131703  -2.304757
 21
 Energy -312.01837556    Point 24   Kin_en 1.29613
  C   1.283355   0.296145  -0.726689
  C   1.001571   1.348954  -0.073741
  C  -1.123961  -0.048954   0.120782
  C   0.189066   0.185673   0.565713
  C  -2.008371  -0.939723   0.916980
  C  -1.710476   0.551585  -1.100553
  H   1.161417   2.385701   0.196516
  C   0.704682  -0.399683   1.863002
  C   1.881469  -0.696687  -1.610464
  H  -1.503734  -1.887892   1.160711
  H  -2.213009  -0.467858   1.895200
  H  -2.962206  -1.141911   0.420063
  H  -2.045684  -0.251256  -1.779884
  H  -2.640732   1.073244  -0.814761
  H  -1.053034   1.239827  -1.636275
  H   0.651181  -1.498089   1.875005
  H   1.749396  -0.112761   2.024978
  H   0.121741  -0.032865   2.720491
  H   2.663755  -0.204980  -2.208181
  H   2.345494  -1.505885  -1.028269
  H   1.137641  -1.135287  -2.290143
 21
 Energy -312.01828375    Point 25   Kin_en 0.268075
  C   1.288718   0.304362  -0.723733
  C   0.983553   1.353927  -0.077970
  C  -1.133944  -0.052030   0.121307
  C   0.189359   0.161843   0.547663
  C  -2.029563  -0.901978   0.948965
  C  -1.718015   0.528929  -1.109817
  H   1.100417   2.395222   0.195531
  C   0.709127  -0.426751   1.842060
  C   1.924874  -0.674286  -1.598271
  H  -1.594293  -1.908722   1.070791
  H  -2.096056  -0.498807   1.973804
  H  -3.035283  -0.992545   0.527663
  H  -2.146486  -0.277911  -1.728428
  H  -2.589761   1.142284  -0.818971
  H  -1.031385   1.134854  -1.704906
  H   0.567806  -1.515875   1.889566
  H   1.778729  -0.219356   1.955726
  H   0.193827   0.010231   2.710448
  H   2.700052  -0.164680  -2.189600
  H   2.403283  -1.468306  -1.006667
  H   1.199789  -1.137185  -2.282040
 21
 Energy -312.01810147    Point 26   Kin_en 0.276848
  C   1.290991   0.311330  -0.719588
  C   0.961767   1.357435  -0.081455
  C  -1.143185  -0.056816   0.122562
  C   0.191148   0.131613   0.528360
  C  -2.054453  -0.852768   0.985570
  C  -1.723143   0.501558  -1.120518
  H   1.032178   2.401245   0.196866
  C   0.716977  -0.460201   1.819221
  C   1.970889  -0.645056  -1.588075
  H  -1.697644  -1.897321   1.035291
  H  -2.021300  -0.493139   2.026551
  H  -3.087145  -0.851598   0.623622
  H  -2.229123  -0.302841  -1.680337
  H  -2.537909   1.193479  -0.839428
  H  -1.014824   1.025766  -1.765709
  H   0.502320  -1.534831   1.899920
  H   1.801927  -0.324687   1.888836
  H   0.268368   0.033350   2.694651
  H   2.731945  -0.110323  -2.174735
  H   2.471460  -1.420182  -0.989595
  H   1.267499  -1.137321  -2.273887
 21
 Energy -312.01783160    Point 27   Kin_en 0.274837
  C   1.289490   0.316396  -0.714901
  C   0.938155   1.359682  -0.084581
  C  -1.150906  -0.061927   0.124293
  C   0.194142   0.098250   0.509004
  C  -2.078375  -0.796081   1.023308
  C  -1.726187   0.471007  -1.132011
  H   0.962206   2.403425   0.200174
  C   0.725818  -0.496802   1.796324
  C   2.015587  -0.612189  -1.579066
  H  -1.803735  -1.867361   1.028320
  H  -1.966399  -0.468111   2.068011
  H  -3.123582  -0.711599   0.709421
  H  -2.299301  -0.325516  -1.634940
  H  -2.484432   1.232057  -0.871445
  H  -1.001980   0.913261  -1.819667
  H   0.468091  -1.560017   1.896006
  H   1.817139  -0.406688   1.836923
  H   0.322758   0.027487   2.676135
  H   2.762729  -0.050325  -2.157223
  H   2.536218  -1.369808  -0.975190
  H   1.336948  -1.130880  -2.270310
 21
 Energy -312.01746070    Point 28   Kin_en 0.277695
  C   1.284635   0.318756  -0.709889
  C   0.913241   1.359795  -0.086682
  C  -1.157401  -0.066465   0.126035
  C   0.197756   0.062788   0.490162
  C  -2.099322  -0.732767   1.061234
  C  -1.727980   0.437820  -1.144279
  H   0.894462   2.401441   0.204627
  C   0.734171  -0.535755   1.773959
  C   2.058715  -0.575936  -1.571534
  H  -1.906629  -1.822335   1.042109
  H  -1.922501  -0.427511   2.102882
  H  -3.146948  -0.571669   0.786753
  H  -2.353452  -0.350319  -1.595083
  H  -2.437236   1.253550  -0.913016
  H  -0.993445   0.803546  -1.865332
  H   0.454736  -1.592554   1.882097
  H   1.827975  -0.470172   1.796620
  H   0.358874   0.001875   2.657986
  H   2.791827   0.015613  -2.136842
  H   2.597537  -1.318105  -0.964360
  H   1.408020  -1.117206  -2.272195
 21
 Energy -312.01700451    Point 29   Kin_en 0.278603
  C   1.278708   0.319139  -0.704074
  C   0.885953   1.357766  -0.087993
  C  -1.162290  -0.070851   0.127305
  C   0.201909   0.025112   0.471737
  C  -2.116239  -0.665071   1.097573
  C  -1.729019   0.403559  -1.156442
  H   0.828127   2.395455   0.210947
  C   0.741072  -0.576348   1.752918
  C   2.099697  -0.536517  -1.565419
  H  -1.994316  -1.765247   1.080411
  H  -1.891219  -0.364983   2.130818
  H  -3.159258  -0.442404   0.848761
  H  -2.392421  -0.378522  -1.561582
  H  -2.400124   1.259035  -0.958623
  H  -0.988582   0.701971  -1.902169
  H   0.430494  -1.622780   1.874814
  H   1.836855  -0.545759   1.755417
  H   0.400476  -0.018809   2.638648
  H   2.816932   0.086141  -2.116419
  H   2.656660  -1.264586  -0.957501
  H   1.477510  -1.097055  -2.276777
 21
 Energy -312.01647896    Point 30   Kin_en 0.278812
  C   1.270637   0.317621  -0.698930
  C   0.856893   1.353361  -0.088407
  C  -1.165483  -0.074340   0.128395
  C   0.206452  -0.013432   0.454477
  C  -2.128841  -0.593782   1.131432
  C  -1.729388   0.367984  -1.168252
  H   0.765710   2.386130   0.218272
  C   0.746982  -0.618037   1.733210
  C   2.138110  -0.494982  -1.559701
  H  -2.070149  -1.699438   1.130696
  H  -1.865885  -0.288794   2.153856
  H  -3.163126  -0.318483   0.898569
  H  -2.426780  -0.406622  -1.528629
  H  -2.364883   1.257217  -1.006592
  H  -0.986441   0.600490  -1.934756
  H   0.414503  -1.656772   1.862632
  H   1.843289  -0.612045   1.722389
  H   0.430643  -0.049066   2.620576
  H   2.838765   0.159054  -2.094314
  H   2.712120  -1.209842  -0.951917
  H   1.546106  -1.071784  -2.283785
 21
 Energy -312.01587773    Point 31   Kin_en 0.279295
  C   1.261373   0.314610  -0.694634
  C   0.825724   1.346465  -0.088183
  C  -1.167331  -0.076838   0.129508
  C   0.210981  -0.052377   0.438446
  C  -2.137093  -0.519573   1.162517
  C  -1.729651   0.331405  -1.179623
  H   0.706902   2.373944   0.226177
  C   0.752412  -0.659949   1.714834
  C   2.173980  -0.452126  -1.553757
  H  -2.144310  -1.626818   1.178227
  H  -1.836956  -0.213808   2.173946
  H  -3.158533  -0.189261   0.943814
  H  -2.452970  -0.438047  -1.498392
  H  -2.336294   1.245969  -1.056219
  H  -0.986164   0.503271  -1.961613
  H   0.406530  -1.694008   1.846899
  H   1.848716  -0.669590   1.695763
  H   0.451095  -0.085619   2.603828
  H   2.858788   0.232850  -2.068785
  H   2.762434  -1.155492  -0.946356
  H   1.613755  -1.041235  -2.293183
 21
 Energy -312.01524008    Point 32   Kin_en 0.279344
  C   1.251029   0.310264  -0.690962
  C   0.791378   1.337098  -0.087897
  C  -1.167506  -0.077836   0.130461
  C   0.215647  -0.091669   0.423601
  C  -2.140862  -0.443533   1.190198
  C  -1.729994   0.294667  -1.190082
  H   0.650555   2.359501   0.233742
  C   0.757795  -0.702237   1.697471
  C   2.207375  -0.408220  -1.546578
  H  -2.212298  -1.548120   1.224643
  H  -1.807031  -0.137536   2.190479
  H  -3.145837  -0.060007   0.981392
  H  -2.473239  -0.471589  -1.469490
  H  -2.313230   1.227990  -1.105762
  H  -0.987806   0.410117  -1.983698
  H   0.398581  -1.731457   1.831927
  H   1.853816  -0.726958   1.670642
  H   0.470736  -0.123014   2.587823
  H   2.876896   0.306710  -2.039502
  H   2.807766  -1.102207  -0.940036
  H   1.679968  -1.005485  -2.303569
 21
 Energy -312.01460101    Point 33   Kin_en 0.279424
  C   1.239631   0.304707  -0.687671
  C   0.753042   1.325289  -0.087959
  C  -1.165764  -0.077316   0.131221
  C   0.220722  -0.131583   0.409846
  C  -2.140138  -0.366079   1.214172
  C  -1.730045   0.258460  -1.199585
  H   0.595967   2.343172   0.240694
  C   0.763613  -0.744752   1.681156
  C   2.237732  -0.363839  -1.537832
  H  -2.272872  -1.464119   1.269376
  H  -1.776304  -0.059668   2.203319
  H  -3.125775   0.067827   1.010905
  H  -2.492080  -0.503147  -1.439448
  H  -2.290885   1.207384  -1.154585
  H  -0.991126   0.318327  -2.002420
  H   0.398023  -1.772061   1.813606
  H   1.859458  -0.776161   1.650736
  H   0.482485  -0.165679   2.573272
  H   2.891836   0.380245  -2.006875
  H   2.848507  -1.049633  -0.932305
  H   1.743895  -0.966048  -2.313604
 21
 Energy -312.01399875    Point 34   Kin_en 0.279255
  C   1.227306   0.298269  -0.684271
  C   0.710106   1.311332  -0.088930
  C  -1.161565  -0.074010   0.131470
  C   0.226222  -0.172286   0.397274
  C  -2.134291  -0.288028   1.234377
  C  -1.730181   0.223172  -1.208338
  H   0.542990   2.325500   0.246885
  C   0.769897  -0.787617   1.665803
  C   2.264764  -0.319418  -1.526773
  H  -2.328181  -1.375713   1.307404
  H  -1.742685   0.014596   2.213509
  H  -3.097157   0.196303   1.035157
  H  -2.504676  -0.537195  -1.410761
  H  -2.274871   1.181646  -1.201763
  H  -0.995620   0.233225  -2.017446
  H   0.400157  -1.813918   1.795056
  H   1.865608  -0.823082   1.633345
  H   0.491582  -0.210084   2.559534
  H   2.902406   0.451807  -1.973222
  H   2.885672  -0.997020  -0.922302
  H   1.803730  -0.925192  -2.320134
 21
 Energy -312.01352876    Point 35   Kin_en 0.278929
  C   1.213546   0.290756  -0.681137
  C   0.661092   1.294932  -0.091931
  C  -1.154355  -0.067042   0.131210
  C   0.232562  -0.214442   0.384969
  C  -2.123109  -0.210825   1.250928
  C  -1.730859   0.190612  -1.215832
  H   0.492075   2.306475   0.251964
  C   0.776895  -0.830574   1.651036
  C   2.289191  -0.275569  -1.512097
  H  -2.370847  -1.285825   1.342484
  H  -1.708043   0.089620   2.220520
  H  -3.062721   0.317703   1.052548
  H  -2.515169  -0.568929  -1.381011
  H  -2.261669   1.155454  -1.245782
  H  -1.002552   0.154455  -2.029893
  H   0.404159  -1.856330   1.776671
  H   1.872552  -0.867469   1.619073
  H   0.497198  -0.255086   2.545390
  H   2.909228   0.521034  -1.937480
  H   2.919712  -0.943226  -0.906444
  H   1.861886  -0.885477  -2.321515
 21
 Energy -312.01331964    Point 36   Kin_en 0.278844
  C   1.198250   0.282282  -0.677540
  C   0.604970   1.276257  -0.097452
  C  -1.142717  -0.054296   0.130422
  C   0.240202  -0.258414   0.373416
  C  -2.106841  -0.135618   1.263599
  C  -1.731338   0.160848  -1.222457
  H   0.446469   2.286461   0.257165
  C   0.784882  -0.873334   1.637473
  C   2.309553  -0.233027  -1.494515
  H  -2.400321  -1.196940   1.371977
  H  -1.674282   0.164738   2.225084
  H  -3.023895   0.430421   1.063079
  H  -2.521502  -0.599686  -1.350944
  H  -2.251658   1.128692  -1.286793
  H  -1.010458   0.083154  -2.040336
  H   0.414134  -1.900602   1.757670
  H   1.880752  -0.905551   1.610164
  H   0.496335  -0.302127   2.531455
  H   2.913395   0.587011  -1.897393
  H   2.947288  -0.891107  -0.885760
  H   1.914842  -0.845486  -2.318842
 21
 Energy -312.01362910    Point 37   Kin_en 0.277842
  C   1.181861   0.272771  -0.671457
  C   0.539824   1.255745  -0.105969
  C  -1.124331  -0.032033   0.128870
  C   0.250384  -0.303924   0.363682
  C  -2.085989  -0.064839   1.271747
  C  -1.730542   0.133398  -1.228858
  H   0.410301   2.266721   0.261109
  C   0.793891  -0.915079   1.626525
  C   2.323854  -0.192561  -1.474495
  H  -2.417210  -1.113371   1.387979
  H  -1.642697   0.232174   2.228934
  H  -2.982051   0.532898   1.068642
  H  -2.521746  -0.630776  -1.320567
  H  -2.243863   1.101085  -1.326388
  H  -1.017597   0.019035  -2.049616
  H   0.425225  -1.943778   1.742241
  H   1.889991  -0.940881   1.607599
  H   0.491236  -0.346925   2.517518
  H   2.915649   0.646374  -1.854929
  H   2.964027  -0.854421  -0.872613
  H   1.955190  -0.795584  -2.318831
 21
 Energy -312.01505225    Point 38   Kin_en 0.276954
  C   1.164349   0.262098  -0.663336
  C   0.464890   1.233115  -0.117060
  C  -1.097494   0.003998   0.125875
  C   0.263964  -0.350207   0.355349
  C  -2.061707  -0.002687   1.275596
  C  -1.729417   0.109422  -1.234625
  H   0.391726   2.246317   0.264175
  C   0.803393  -0.954551   1.618215
  C   2.332658  -0.156224  -1.452899
  H  -2.416336  -1.042461   1.390635
  H  -1.616810   0.291610   2.232594
  H  -2.942622   0.616119   1.069910
  H  -2.516627  -0.660909  -1.290318
  H  -2.239391   1.074348  -1.361856
  H  -1.024745  -0.033958  -2.058332
  H   0.432185  -1.982404   1.735547
  H   1.899447  -0.978082   1.608801
  H   0.487469  -0.382943   2.502182
  H   2.916116   0.698207  -1.810471
  H   2.972626  -0.826755  -0.860679
  H   1.982428  -0.745135  -2.316227
 21
 Energy -312.01856066    Point 39   Kin_en 0.278668
  C   1.146275   0.249849  -0.654188
  C   0.383682   1.208900  -0.127927
  C  -1.063743   0.054256   0.120580
  C   0.281214  -0.394386   0.347733
  C  -2.035881   0.050032   1.276069
  C  -1.729153   0.087415  -1.239173
  H   0.392077   2.221851   0.267679
  C   0.812671  -0.991610   1.611509
  C   2.337455  -0.124470  -1.430488
  H  -2.400521  -0.985578   1.382991
  H  -1.597093   0.343660   2.236011
  H  -2.908727   0.679584   1.068858
  H  -2.506646  -0.692240  -1.261308
  H  -2.240972   1.046974  -1.391360
  H  -1.031985  -0.075273  -2.066429
  H   0.433444  -2.015905   1.735685
  H   1.908450  -1.018096   1.613216
  H   0.482998  -0.410557   2.484293
  H   2.911434   0.742510  -1.772368
  H   2.979386  -0.801253  -0.847750
  H   2.000285  -0.702446  -2.307826
 21
 Energy -312.02447829    Point 40   Kin_en 0.279361
  C   1.128459   0.235527  -0.645055
  C   0.303164   1.183938  -0.135857
  C  -1.029416   0.112148   0.112341
  C   0.301302  -0.433350   0.340817
  C  -2.009081   0.099383   1.274076
  C  -1.729985   0.063160  -1.241871
  H   0.398124   2.192024   0.268254
  C   0.820698  -1.028998   1.605165
  C   2.340069  -0.094145  -1.408013
  H  -2.378079  -0.933972   1.372254
  H  -1.576973   0.393262   2.237237
  H  -2.878216   0.734311   1.067129
  H  -2.493267  -0.728273  -1.232287
  H  -2.249756   1.014308  -1.416883
  H  -1.038884  -0.112244  -2.072618
  H   0.430266  -2.048459   1.736123
  H   1.915923  -1.061318   1.619459
  H   0.477437  -0.437729   2.466007
  H   2.902645   0.785449  -1.736287
  H   2.985804  -0.777235  -0.837289
  H   2.014113  -0.659251  -2.299501
 21
 Energy -312.03055332    Point 41   Kin_en 0.270924
  C   1.112345   0.220489  -0.637614
  C   0.237645   1.162607  -0.142512
  C  -1.006457   0.162271   0.102097
  C   0.319433  -0.464830   0.334603
  C  -1.980998   0.157417   1.272004
  C  -1.733114   0.029745  -1.241600
  H   0.394210   2.164039   0.263976
  C   0.825541  -1.073790   1.595864
  C   2.343896  -0.058444  -1.384495
  H  -2.358259  -0.871308   1.375648
  H  -1.545253   0.457733   2.231868
  H  -2.846564   0.798057   1.066184
  H  -2.477054  -0.777099  -1.198376
  H  -2.270215   0.966382  -1.442402
  H  -1.045659  -0.156679  -2.073884
  H   0.418548  -2.086941   1.726204
  H   1.919997  -1.119635   1.618870
  H   0.477437  -0.477325   2.451480
  H   2.889977   0.839852  -1.689409
  H   2.996312  -0.744063  -0.825036
  H   2.038053  -0.605976  -2.294766
 21
 Energy -312.03503372    Point 42   Kin_en 0.264647
  C   1.102868   0.210511  -0.633001
  C   0.204076   1.151355  -0.152102
  C  -1.001279   0.185665   0.093809
  C   0.327014  -0.485340   0.329467
  C  -1.956697   0.227215   1.274412
  C  -1.740582  -0.016150  -1.236552
  H   0.380017   2.151405   0.251677
  C   0.823183  -1.126389   1.578934
  C   2.353686  -0.015657  -1.360666
  H  -2.355372  -0.788499   1.413893
  H  -1.499185   0.547779   2.217760
  H  -2.812000   0.880606   1.064159
  H  -2.461612  -0.840422  -1.158803
  H  -2.302371   0.899618  -1.464999
  H  -1.054908  -0.214343  -2.067905
  H   0.394855  -2.133074   1.691836
  H   1.916436  -1.193958   1.601846
  H   0.482919  -0.538844   2.444011
  H   2.878544   0.906926  -1.629188
  H   3.014913  -0.699921  -0.810594
  H   2.080999  -0.539571  -2.295147
 21
 Energy -312.03862428    Point 43   Kin_en 0.278866
  C   1.100500   0.206691  -0.630478
  C   0.190018   1.146881  -0.166246
  C  -1.002836   0.191445   0.089223
  C   0.326883  -0.497367   0.323859
  C  -1.937394   0.298539   1.280983
  C  -1.752419  -0.068486  -1.225088
  H   0.364892   2.151354   0.228204
  C   0.812793  -1.179455   1.554498
  C   2.370609   0.028160  -1.336733
  H  -2.365092  -0.696068   1.473955
  H  -1.450150   0.646382   2.200001
  H  -2.775804   0.970058   1.058455
  H  -2.450303  -0.908492  -1.112380
  H  -2.340034   0.824253  -1.478157
  H  -1.069741  -0.278474  -2.056129
  H   0.361855  -2.179780   1.635815
  H   1.904241  -1.271727   1.573355
  H   0.483718  -0.613367   2.438159
  H   2.875372   0.973576  -1.562452
  H   3.038606  -0.654627  -0.793716
  H   2.134672  -0.468217  -2.295561
 21
 Energy -312.04140158    Point 44   Kin_en 0.279072
  C   1.100982   0.205481  -0.628786
  C   0.177778   1.144870  -0.185350
  C  -1.003739   0.196438   0.085829
  C   0.327008  -0.506582   0.316432
  C  -1.917252   0.365738   1.286993
  C  -1.767738  -0.121235  -1.206914
  H   0.348772   2.155526   0.196045
  C   0.798032  -1.230671   1.526424
  C   2.390879   0.069401  -1.309789
  H  -2.373822  -0.605081   1.527258
  H  -1.402653   0.735353   2.182699
  H  -2.737520   1.055341   1.051018
  H  -2.439957  -0.975909  -1.055164
  H  -2.383567   0.746208  -1.479617
  H  -1.091941  -0.342343  -2.040729
  H   0.327047  -2.224745   1.569171
  H   1.887264  -1.344698   1.546022
  H   0.472748  -0.692115   2.428573
  H   2.878455   1.033627  -1.491345
  H   3.061576  -0.613859  -0.771391
  H   2.192068  -0.397080  -2.291349
 21
 Energy -312.04339763    Point 45   Kin_en 0.279097
  C   1.102656   0.206012  -0.628039
  C   0.166493   1.145246  -0.209728
  C  -1.004377   0.201412   0.081864
  C   0.327371  -0.513632   0.307887
  C  -1.894552   0.428018   1.291773
  C  -1.786949  -0.172753  -1.183372
  H   0.331092   2.163913   0.154153
  C   0.781095  -1.279715   1.496116
  C   2.412937   0.107588  -1.278294
  H  -2.378627  -0.517893   1.572835
  H  -1.352583   0.811605   2.165560
  H  -2.695835   1.136588   1.045475
  H  -2.429564  -1.041714  -0.989719
  H  -2.434385   0.666849  -1.469350
  H  -1.122712  -0.402426  -2.024203
  H   0.296087  -2.268745   1.493308
  H   1.868326  -1.409470   1.521492
  H   0.450253  -0.775522   2.415896
  H   2.885745   1.087118  -1.413602
  H   3.081943  -0.577619  -0.740888
  H   2.253917  -0.327422  -2.280785
 21
 Energy -312.04467803    Point 46   Kin_en 0.278744
  C   1.104883   0.208119  -0.628443
  C   0.155030   1.147062  -0.239518
  C  -1.004903   0.205866   0.076909
  C   0.327393  -0.519015   0.297957
  C  -1.868769   0.484669   1.296250
  C  -1.810388  -0.221417  -1.155732
  H   0.310904   2.175315   0.102025
  C   0.763497  -1.325061   1.463496
  C   2.436859   0.141995  -1.241051
  H  -2.376615  -0.436432   1.614377
  H  -1.298968   0.877746   2.148167
  H  -2.652244   1.210852   1.042793
  H  -2.421102  -1.102776  -0.919175
  H  -2.490330   0.589904  -1.447463
  H  -1.162405  -0.457915  -2.007393
  H   0.275640  -2.312078   1.406891
  H   1.849540  -1.460369   1.501627
  H   0.414111  -0.863681   2.398604
  H   2.897894   1.132889  -1.329431
  H   3.098574  -0.546843  -0.699793
  H   2.321419  -0.261834  -2.261776
 21
 Energy -312.04530248    Point 47   Kin_en 0.277332
  C   1.107103   0.211097  -0.629714
  C   0.143110   1.149418  -0.274636
  C  -1.005742   0.209182   0.070766
  C   0.326620  -0.523803   0.286798
  C  -1.839901   0.535221   1.300539
  C  -1.838064  -0.264858  -1.125265
  H   0.287434   2.188586   0.039360
  C   0.747660  -1.365368   1.429722
  C   2.461450   0.171964  -1.198057
  H  -2.369628  -0.361367   1.650765
  H  -1.241717   0.931728   2.131474
  H  -2.605558   1.279434   1.043875
  H  -2.419278  -1.153784  -0.846093
  H  -2.546675   0.521503  -1.416867
  H  -1.210809  -0.510094  -1.990030
  H   0.283498  -2.358721   1.303702
  H   1.834317  -1.482981   1.496084
  H   0.354134  -0.963840   2.374439
  H   2.911050   1.171360  -1.243076
  H   3.112179  -0.518682  -0.646236
  H   2.393744  -0.205947  -2.232264
 21
 Energy -312.04518178    Point 48   Kin_en 0.184951
  C   1.109464   0.213924  -0.625629
  C   0.140411   1.152685  -0.281466
  C  -1.003958   0.212233   0.069077
  C   0.328345  -0.523865   0.286438
  C  -1.835826   0.553614   1.296533
  C  -1.835212  -0.291434  -1.115230
  H   0.280622   2.194641   0.025697
  C   0.734947  -1.382440   1.421714
  C   2.465409   0.186538  -1.192754
  H  -2.363299  -0.338007   1.662556
  H  -1.235556   0.963335   2.119561
  H  -2.603270   1.292834   1.030550
  H  -2.391696  -1.191412  -0.821053
  H  -2.565890   0.473526  -1.409198
  H  -1.209472  -0.531834  -1.982448
  H   0.136898  -2.307786   1.386033
  H   1.801189  -1.631264   1.402871
  H   0.488281  -0.897561   2.378481
  H   2.956335   1.164517  -1.104678
  H   3.084162  -0.595394  -0.736236
  H   2.388383  -0.039355  -2.269520
 21
 Energy -312.04438718    Point 49   Kin_en 0.260334
  C   1.113482   0.217169  -0.608994
  C   0.148086   1.158571  -0.255595
  C  -0.996834   0.221062   0.078213
  C   0.336623  -0.520306   0.305209
  C  -1.859711   0.575655   1.279479
  C  -1.794259  -0.316747  -1.115040
  H   0.289933   2.198954   0.055891
  C   0.719334  -1.408890   1.427466
  C   2.443437   0.197828  -1.234504
  H  -2.382590  -0.313771   1.657187
  H  -1.284591   1.015861   2.104633
  H  -2.631915   1.295366   0.975783
  H  -2.321163  -1.234766  -0.821532
  H  -2.548870   0.417511  -1.426187
  H  -1.147725  -0.542186  -1.970863
  H   0.011257  -2.250746   1.469631
  H   1.743953  -1.783884   1.328864
  H   0.625599  -0.877035   2.387487
  H   2.970838   1.148831  -1.078679
  H   3.056457  -0.640702  -0.885228
  H   2.307169   0.086057  -2.323300
 21
 Energy -312.04261582    Point 50   Kin_en 0.272415
  C   1.120215   0.213104  -0.593115
  C   0.162987   1.156754  -0.218296
  C  -0.988893   0.230411   0.088926
  C   0.346439  -0.522579   0.323572
  C  -1.888169   0.614624   1.253260
  C  -1.754952  -0.345925  -1.107491
  H   0.315202   2.189640   0.112386
  C   0.702854  -1.443257   1.430095
  C   2.419084   0.220758  -1.281142
  H  -2.397121  -0.266196   1.667997
  H  -1.347931   1.117663   2.065794
  H  -2.671464   1.293019   0.888402
  H  -2.244471  -1.282623  -0.807443
  H  -2.538483   0.351283  -1.431713
  H  -1.093358  -0.555240  -1.955754
  H  -0.064489  -2.227863   1.504438
  H   1.691230  -1.893621   1.283971
  H   0.700511  -0.908048   2.393083
  H   2.958995   1.159418  -1.092704
  H   3.046152  -0.638957  -1.021908
  H   2.221594   0.186386  -2.365954
 21
 Energy -312.03958188    Point 51   Kin_en 0.26884
  C   1.131852   0.201149  -0.586143
  C   0.180724   1.142094  -0.170348
  C  -0.987114   0.246426   0.095177
  C   0.364068  -0.528475   0.332901
  C  -1.921735   0.659189   1.224305
  C  -1.729772  -0.374318  -1.094839
  H   0.359297   2.152251   0.213287
  C   0.689444  -1.473666   1.432888
  C   2.403049   0.249511  -1.325563
  H  -2.407450  -0.212864   1.682724
  H  -1.419811   1.232109   2.014440
  H  -2.721338   1.282594   0.801020
  H  -2.177340  -1.326293  -0.777397
  H  -2.544623   0.281970  -1.426958
  H  -1.062202  -0.571492  -1.941154
  H  -0.115709  -2.216910   1.519902
  H   1.648995  -1.975938   1.263212
  H   0.740877  -0.941479   2.395967
  H   2.938466   1.186720  -1.115437
  H   3.051693  -0.612269  -1.138108
  H   2.155100   0.270036  -2.400588
 21
 Energy -312.03463390    Point 52   Kin_en 0.258208
  C   1.149690   0.184450  -0.586988
  C   0.183180   1.113098  -0.122141
  C  -1.008449   0.285422   0.087485
  C   0.414394  -0.536266   0.335218
  C  -1.958324   0.699716   1.203332
  C  -1.719578  -0.396952  -1.082709
  H   0.398599   2.082815   0.340166
  C   0.682100  -1.498537   1.439135
  C   2.398194   0.273731  -1.363393
  H  -2.410894  -0.175793   1.688622
  H  -1.481084   1.317864   1.973732
  H  -2.782504   1.275148   0.758507
  H  -2.133321  -1.356399  -0.743604
  H  -2.560177   0.220983  -1.426480
  H  -1.046864  -0.588179  -1.925612
  H  -0.152847  -2.207539   1.520592
  H   1.618521  -2.044373   1.270759
  H   0.759020  -0.967527   2.400669
  H   2.924554   1.212441  -1.135423
  H   3.064578  -0.582718  -1.219654
  H   2.121083   0.328961  -2.429934
 21
 Energy -312.02832265    Point 53   Kin_en 0.277613
  C   1.169751   0.167837  -0.590237
  C   0.172164   1.076735  -0.081142
  C  -1.052122   0.338977   0.069420
  C   0.492644  -0.547155   0.338740
  C  -1.991502   0.731857   1.189844
  C  -1.716474  -0.411405  -1.072278
  H   0.416024   2.002566   0.452996
  C   0.678591  -1.517189   1.445723
  C   2.397957   0.290755  -1.393571
  H  -2.410313  -0.154861   1.686285
  H  -1.522481   1.371917   1.946302
  H  -2.843394   1.273406   0.752374
  H  -2.113611  -1.371671  -0.716674
  H  -2.573385   0.177294  -1.432099
  H  -1.036170  -0.600173  -1.908431
  H  -0.179470  -2.199062   1.511640
  H   1.596165  -2.099499   1.289338
  H   0.765838  -0.988140   2.407009
  H   2.917956   1.229352  -1.149602
  H   3.075608  -0.560208  -1.270849
  H   2.109197   0.366276  -2.454981
 21
 Energy -312.02436823    Point 54   Kin_en 0.279171
  C   1.189798   0.153264  -0.592911
  C   0.160218   1.036596  -0.042399
  C  -1.100066   0.389516   0.050395
  C   0.577228  -0.560111   0.347361
  C  -2.023943   0.763368   1.175578
  C  -1.715727  -0.420476  -1.062176
  H   0.419052   1.925033   0.545752
  C   0.677513  -1.533796   1.450821
  C   2.397048   0.306994  -1.422154
  H  -2.410156  -0.134220   1.681179
  H  -1.559010   1.420178   1.919205
  H  -2.902954   1.273222   0.751600
  H  -2.105546  -1.378317  -0.691136
  H  -2.583665   0.142227  -1.441752
  H  -1.025937  -0.611210  -1.889185
  H  -0.201983  -2.189824   1.496159
  H   1.575921  -2.150625   1.308269
  H   0.769114  -1.010845   2.414727
  H   2.913054   1.244070  -1.163668
  H   3.083703  -0.539096  -1.315611
  H   2.098670   0.397789  -2.478614
 21
 Energy -312.02336520    Point 55   Kin_en 0.277189
  C   1.210271   0.140213  -0.592499
  C   0.151230   0.992978  -0.001503
  C  -1.141699   0.429865   0.035038
  C   0.658905  -0.575258   0.360264
  C  -2.059564   0.801642   1.155249
  C  -1.716679  -0.426317  -1.052195
  H   0.416182   1.852184   0.625511
  C   0.680937  -1.552890   1.454631
  C   2.392266   0.326901  -1.452514
  H  -2.412650  -0.101934   1.677185
  H  -1.602062   1.480130   1.883280
  H  -2.963453   1.274063   0.739284
  H  -2.107238  -1.377431  -0.662656
  H  -2.589336   0.113160  -1.457385
  H  -1.013960  -0.628778  -1.864976
  H  -0.220106  -2.181187   1.474124
  H   1.558444  -2.203664   1.326957
  H   0.771731  -1.040071   2.423873
  H   2.905079   1.262597  -1.183086
  H   3.089100  -0.513431  -1.366831
  H   2.076632   0.431510  -2.501650
 21
 Energy -312.02390126    Point 56   Kin_en 0.275914
  C   1.230231   0.128192  -0.586775
  C   0.145737   0.948420   0.041617
  C  -1.172026   0.457282   0.025710
  C   0.730869  -0.593383   0.375001
  C  -2.097623   0.849135   1.126486
  C  -1.718208  -0.430737  -1.042646
  H   0.412089   1.786393   0.695155
  C   0.691387  -1.576775   1.457200
  C   2.380438   0.351955  -1.483134
  H  -2.419144  -0.050601   1.677753
  H  -1.654190   1.559295   1.832449
  H  -3.021139   1.276209   0.705118
  H  -2.123090  -1.368252  -0.632826
  H  -2.583296   0.094190  -1.482842
  H  -0.998200  -0.659148  -1.833024
  H  -0.231951  -2.172910   1.454555
  H   1.544580  -2.261262   1.337151
  H   0.786248  -1.076980   2.432705
  H   2.890363   1.287149  -1.207106
  H   3.089461  -0.480906  -1.427604
  H   2.036388   0.470265  -2.521073
 21
 Energy -312.02498951    Point 57   Kin_en 0.276948
  C   1.248232   0.116566  -0.575997
  C   0.142291   0.906226   0.084889
  C  -1.191737   0.473938   0.021682
  C   0.790390  -0.613761   0.389921
  C  -2.134392   0.904334   1.089923
  C  -1.718926  -0.435407  -1.033277
  H   0.408387   1.730011   0.755905
  C   0.709460  -1.606006   1.458163
  C   2.360395   0.380593  -1.510861
  H  -2.430993   0.020838   1.682422
  H  -1.708639   1.653179   1.766173
  H  -3.069811   1.283503   0.650880
  H  -2.151880  -1.352642  -0.604696
  H  -2.565272   0.085128  -1.513733
  H  -0.980468  -0.700967  -1.794475
  H  -0.229899  -2.176549   1.435024
  H   1.543757  -2.314014   1.339451
  H   0.805806  -1.121275   2.440967
  H   2.866715   1.316572  -1.231471
  H   3.083070  -0.442372  -1.492997
  H   1.979840   0.512589  -2.533799
 21
 Energy -312.02624212    Point 58   Kin_en 0.278337
  C   1.263134   0.105754  -0.562272
  C   0.139739   0.866893   0.127317
  C  -1.204466   0.484097   0.020910
  C   0.838635  -0.635213   0.403551
  C  -2.166904   0.964316   1.047696
  C  -1.718682  -0.441716  -1.023117
  H   0.405371   1.680104   0.810722
  C   0.733843  -1.639120   1.457046
  C   2.333664   0.410978  -1.533662
  H  -2.452523   0.107525   1.684844
  H  -1.756376   1.750528   1.690309
  H  -3.104905   1.303170   0.583476
  H  -2.189646  -1.332868  -0.578445
  H  -2.536876   0.080921  -1.547888
  H  -0.962596  -0.751766  -1.749423
  H  -0.212171  -2.197464   1.412748
  H   1.560652  -2.356065   1.338882
  H   0.822898  -1.169230   2.447573
  H   2.835125   1.348958  -1.252785
  H   3.070013  -0.399914  -1.556324
  H   1.913859   0.555023  -2.539136
 21
 Energy -312.02748458    Point 59   Kin_en 0.278865
  C   1.274931   0.095647  -0.547535
  C   0.137085   0.829711   0.168690
  C  -1.213101   0.490214   0.022076
  C   0.877385  -0.656685   0.415317
  C  -2.194272   1.026339   1.001390
  C  -1.718050  -0.449774  -1.011892
  H   0.402553   1.634447   0.861582
  C   0.763452  -1.673986   1.454281
  C   2.302606   0.442234  -1.550964
  H  -2.485748   0.202729   1.679237
  H  -1.793199   1.843416   1.610815
  H  -3.125925   1.337420   0.507113
  H  -2.236520  -1.307858  -0.554444
  H  -2.498245   0.079505  -1.585534
  H  -0.946215  -0.811143  -1.696758
  H  -0.185963  -2.225222   1.396118
  H   1.586719  -2.394005   1.329955
  H   0.849553  -1.218854   2.451775
  H   2.797510   1.383182  -1.268828
  H   3.052188  -0.354556  -1.614140
  H   1.844271   0.596207  -2.537780
 21
 Energy -312.02864246    Point 60   Kin_en 0.279279
  C   1.284040   0.086113  -0.532710
  C   0.133719   0.793871   0.209405
  C  -1.219460   0.493823   0.024337
  C   0.909266  -0.677289   0.425863
  C  -2.216278   1.088698   0.951966
  C  -1.717854  -0.458837  -0.999847
  H   0.399039   1.592049   0.909487
  C   0.797136  -1.709452   1.450355
  C   2.268575   0.473542  -1.563566
  H  -2.529387   0.301274   1.662875
  H  -1.818000   1.928383   1.531989
  H  -3.133750   1.384954   0.423938
  H  -2.289806  -1.277826  -0.534167
  H  -2.452008   0.078597  -1.624427
  H  -0.933837  -0.875361  -1.637993
  H  -0.153876  -2.256953   1.384679
  H   1.619098  -2.428592   1.313647
  H   0.884866  -1.269540   2.454400
  H   2.754510   1.418796  -1.280686
  H   3.031395  -0.306931  -1.664861
  H   1.774305   0.633943  -2.531696
 21
 Energy -312.02967544    Point 61   Kin_en 0.279351
  C   1.290854   0.077035  -0.518353
  C   0.129612   0.758331   0.250004
  C  -1.224369   0.495696   0.027245
  C   0.935947  -0.696529   0.435707
  C  -2.232795   1.150276   0.900211
  C  -1.718384  -0.468272  -0.987501
  H   0.395001   1.551113   0.955775
  C   0.833694  -1.744432   1.445840
  C   2.232011   0.504619  -1.572503
  H  -2.582058   0.399728   1.633977
  H  -1.831215   2.003668   1.457560
  H  -3.128344   1.444243   0.334920
  H  -2.346708  -1.243192  -0.518951
  H  -2.399811   0.076501  -1.663484
  H  -0.926574  -0.941450  -1.574556
  H  -0.117590  -2.290952   1.377130
  H   1.656122  -2.459631   1.293149
  H   0.925822  -1.319382   2.455751
  H   2.707297   1.454830  -1.288496
  H   3.007715  -0.257772  -1.710165
  H   1.704483   0.668749  -2.522213
 21
 Energy -312.03055027    Point 62   Kin_en 0.27937
  C   1.295440   0.067921  -0.504663
  C   0.124520   0.722626   0.290957
  C  -1.228288   0.496513   0.030443
  C   0.957767  -0.714337   0.445206
  C  -2.243756   1.210426   0.846608
  C  -1.719439  -0.477247  -0.975653
  H   0.390114   1.510671   1.001620
  C   0.872993  -1.778271   1.441282
  C   2.192967   0.535123  -1.578415
  H  -2.641823   0.496012   1.591529
  H  -1.833744   2.068768   1.389978
  H  -3.109445   1.513380   0.240942
  H  -2.403473  -1.205134  -0.509807
  H  -2.344058   0.072173  -1.701016
  H  -0.924772  -1.005851  -1.509220
  H  -0.077125  -2.326808   1.373963
  H   1.697354  -2.486507   1.269372
  H   0.972332  -1.367666   2.456387
  H   2.655667   1.491034  -1.293061
  H   2.981461  -0.207422  -1.750188
  H   1.634556   0.700143  -2.510058
 21
 Energy -312.03125337    Point 63   Kin_en 0.279448
  C   1.297609   0.058678  -0.491799
  C   0.118379   0.686668   0.332459
  C  -1.231379   0.496498   0.033923
  C   0.975167  -0.730694   0.454725
  C  -2.249346   1.268533   0.791709
  C  -1.720524  -0.485108  -0.965075
  H   0.384300   1.470733   1.047095
  C   0.914806  -1.810537   1.437065
  C   2.151291   0.564609  -1.581804
  H  -2.705928   0.589343   1.535865
  H  -1.828168   2.124363   1.330270
  H  -3.076860   1.589100   0.142995
  H  -2.458421  -1.164186  -0.508032
  H  -2.284927   0.066186  -1.736966
  H  -0.927694  -1.066593  -1.443630
  H  -0.033415  -2.362956   1.376271
  H   1.741356  -2.509911   1.242545
  H   1.025372  -1.413563   2.456343
  H   2.600731   1.526045  -1.294053
  H   2.951607  -0.157126  -1.786638
  H   1.563872   0.729335  -2.495471
 21
 Energy -312.03178294    Point 64   Kin_en 0.278909
  C   1.297571   0.049517  -0.479694
  C   0.111101   0.650095   0.375147
  C  -1.233521   0.495684   0.037439
  C   0.988405  -0.745397   0.464480
  C  -2.249789   1.323422   0.736058
  C  -1.720973  -0.491293  -0.956823
  H   0.377219   1.430406   1.093564
  C   0.958615  -1.840127   1.433885
  C   2.106684   0.592614  -1.583539
  H  -2.771510   0.678655   1.467720
  H  -1.816928   2.170575   1.278788
  H  -3.030941   1.667616   0.042993
  H  -2.510895  -1.119811  -0.514928
  H  -2.221565   0.059472  -1.771969
  H  -0.935039  -1.123462  -1.379295
  H   0.012135  -2.396608   1.385864
  H   1.785893  -2.530257   1.213264
  H   1.085934  -1.455081   2.455766
  H   2.552861   1.553397  -1.288650
  H   2.910482  -0.113066  -1.828795
  H   1.489274   0.767209  -2.475243
 21
 Energy -312.03210007    Point 65   Kin_en 0.274817
  C   1.295155   0.039398  -0.469243
  C   0.102336   0.611676   0.418785
  C  -1.235079   0.494178   0.041242
  C   0.997183  -0.759512   0.473610
  C  -2.244532   1.374853   0.682329
  C  -1.721683  -0.493331  -0.952800
  H   0.368992   1.387361   1.141843
  C   1.004954  -1.866266   1.432624
  C   2.059796   0.618517  -1.584050
  H  -2.837108   0.763355   1.387757
  H  -1.800386   2.206097   1.239975
  H  -2.969495   1.750150  -0.054839
  H  -2.561796  -1.070023  -0.533824
  H  -2.154421   0.056899  -1.806362
  H  -0.948023  -1.173430  -1.320040
  H   0.067435  -2.438189   1.393950
  H   1.841895  -2.537931   1.194588
  H   1.137108  -1.485726   2.455518
  H   2.486229   1.588025  -1.288681
  H   2.877580  -0.061869  -1.855146
  H   1.418488   0.782938  -2.460740
 21
 Energy -312.03230040    Point 66   Kin_en 0.270639
  C   1.289956   0.030546  -0.458525
  C   0.091420   0.574618   0.463205
  C  -1.236441   0.492399   0.045002
  C   1.002602  -0.769894   0.485550
  C  -2.236242   1.420376   0.631581
  C  -1.720113  -0.491392  -0.954238
  H   0.357237   1.346216   1.190797
  C   1.053781  -1.889037   1.431515
  C   2.010864   0.638558  -1.584511
  H  -2.901165   0.839683   1.296972
  H  -1.784969   2.229636   1.214907
  H  -2.896187   1.831577  -0.147126
  H  -2.614845  -1.007827  -0.572274
  H  -2.069647   0.058727  -1.845491
  H  -0.965899  -1.221770  -1.260500
  H   0.119637  -2.467465   1.417399
  H   1.888391  -2.549756   1.158987
  H   1.214810  -1.519572   2.454409
  H   2.416038   1.618376  -1.293633
  H   2.842482  -0.017084  -1.875606
  H   1.348024   0.785739  -2.448245
 21
 Energy -312.03230040    Point 67   Kin_en 1.40943
  C   1.278720   0.023536  -0.445002
  C   0.073808   0.524009   0.522560
  C  -1.239042   0.484924   0.053769
  C   1.006372  -0.784337   0.497188
  C  -2.208760   1.499347   0.538962
  C  -1.728239  -0.514744  -0.926850
  H   0.336623   1.286981   1.260269
  C   1.119684  -1.922265   1.418877
  C   1.946224   0.675414  -1.576128
  H  -3.173920   1.033505   0.788869
  H  -1.836150   2.082568   1.387393
  H  -2.429730   2.194360  -0.291823
  H  -2.488630  -1.145230  -0.433465
  H  -2.267307  -0.009171  -1.743520
  H  -0.943718  -1.158030  -1.335255
  H   0.197712  -2.519703   1.428449
  H   1.958224  -2.558014   1.104453
  H   1.307499  -1.567030   2.442280
  H   2.323077   1.665051  -1.280586
  H   2.794952   0.055264  -1.896237
  H   1.259349   0.807514  -2.423568
 21
 Energy -312.03210007    Point 68   Kin_en 0.27064
  C   1.267028   0.015895  -0.435803
  C   0.058810   0.486603   0.565473
  C  -1.239538   0.481366   0.056269
  C   1.005095  -0.794095   0.508296
  C  -2.186962   1.540282   0.488310
  C  -1.728646  -0.513341  -0.929332
  H   0.319761   1.245894   1.307758
  C   1.169606  -1.939460   1.416000
  C   1.896148   0.694597  -1.570812
  H  -3.187241   1.124451   0.678994
  H  -1.835313   2.105735   1.357682
  H  -2.320926   2.246614  -0.351842
  H  -2.551876  -1.085197  -0.466887
  H  -2.189494  -0.000206  -1.788528
  H  -0.960519  -1.209338  -1.277926
  H   0.258035  -2.551644   1.450130
  H   2.009092  -2.557485   1.071767
  H   1.380961  -1.587982   2.436209
  H   2.243840   1.694489  -1.274306
  H   2.761310   0.104026  -1.903957
  H   1.196382   0.805860  -2.410741
 21
 Energy -312.03178294    Point 69   Kin_en 0.274817
  C   1.252182   0.012572  -0.424482
  C   0.041747   0.450803   0.608881
  C  -1.239794   0.477657   0.058581
  C   1.001038  -0.802575   0.519658
  C  -2.159803   1.581997   0.432795
  C  -1.729889  -0.516913  -0.926775
  H   0.299404   1.206804   1.355810
  C   1.219334  -1.957203   1.406942
  C   1.847430   0.713900  -1.561532
  H  -3.187731   1.217079   0.571392
  H  -1.827656   2.139746   1.314945
  H  -2.211935   2.286606  -0.418119
  H  -2.601979  -1.033653  -0.489927
  H  -2.123473  -0.006547  -1.820587
  H  -0.982099  -1.258690  -1.220697
  H   0.321597  -2.588132   1.459973
  H   2.061691  -2.552084   1.031737
  H   1.450793  -1.613417   2.425458
  H   2.189169   1.715084  -1.262272
  H   2.714709   0.138712  -1.916961
  H   1.132211   0.821951  -2.388931
 21
 Energy -312.03125337    Point 70   Kin_en 0.278908
  C   1.232940   0.010022  -0.414002
  C   0.024165   0.415943   0.649972
  C  -1.239236   0.473919   0.060405
  C   0.994561  -0.812136   0.529510
  C  -2.125906   1.623241   0.375700
  C  -1.733906  -0.523561  -0.919977
  H   0.279362   1.169192   1.400748
  C   1.267988  -1.973579   1.395038
  C   1.800662   0.734987  -1.548380
  H  -3.174608   1.308217   0.472420
  H  -1.808091   2.182056   1.262607
  H  -2.105536   2.314581  -0.487531
  H  -2.649620  -0.981769  -0.507903
  H  -2.061464  -0.023524  -1.845826
  H  -1.012355  -1.309870  -1.158309
  H   0.392903  -2.635468   1.450842
  H   2.124893  -2.532704   0.999492
  H   1.499878  -1.637279   2.415962
  H   2.123096   1.740768  -1.243124
  H   2.678394   0.182686  -1.915390
  H   1.078561   0.832330  -2.371230
 21
 Energy -312.03055027    Point 71   Kin_en 0.279448
  C   1.209556   0.009182  -0.403354
  C   0.006116   0.382390   0.689993
  C  -1.237588   0.469790   0.061784
  C   0.985819  -0.821779   0.538797
  C  -2.086709   1.661702   0.317341
  C  -1.738576  -0.532239  -0.911158
  H   0.258609   1.132791   1.444806
  C   1.314949  -1.987879   1.380616
  C   1.755289   0.757024  -1.532166
  H  -3.150899   1.394263   0.380644
  H  -1.778105   2.228649   1.202466
  H  -2.003432   2.330443  -0.559931
  H  -2.692929  -0.930317  -0.525275
  H  -2.001012  -0.048655  -1.866150
  H  -1.048096  -1.360226  -1.093602
  H   0.460098  -2.674684   1.448012
  H   2.177790  -2.516786   0.958285
  H   1.559568  -1.658627   2.400929
  H   2.062421   1.764726  -1.217349
  H   2.640908   0.224814  -1.910522
  H   1.028261   0.849538  -2.351323
 21
 Energy -312.02967544    Point 72   Kin_en 0.279372
  C   1.181782   0.009884  -0.392788
  C  -0.012630   0.349597   0.729376
  C  -1.234867   0.465530   0.062623
  C   0.974662  -0.831550   0.547255
  C  -2.042517   1.697044   0.258949
  C  -1.743999  -0.541879  -0.901174
  H   0.236758   1.096400   1.489072
  C   1.360642  -1.999277   1.364121
  C   1.711859   0.778994  -1.513687
  H  -3.117963   1.474075   0.299933
  H  -1.735576   2.278490   1.135243
  H  -1.908744   2.334509  -0.635176
  H  -2.732209  -0.878650  -0.543262
  H  -1.942134  -0.080641  -1.882415
  H  -1.089039  -1.408298  -1.027027
  H   0.528019  -2.711844   1.442618
  H   2.228620  -2.496518   0.915484
  H   1.617774  -1.675933   2.383330
  H   2.006755   1.786699  -1.187127
  H   2.603957   0.263994  -1.901176
  H   0.982761   0.870927  -2.331189
 21
 Energy -312.02864246    Point 73   Kin_en 0.279351
  C   1.149107   0.011900  -0.382432
  C  -0.032103   0.317377   0.768248
  C  -1.230863   0.461057   0.062765
  C   0.961284  -0.841333   0.555019
  C  -1.993514   1.728815   0.201222
  C  -1.750188  -0.551749  -0.890878
  H   0.213858   1.059928   1.533570
  C   1.405245  -2.007256   1.345967
  C   1.670573   0.800386  -1.493236
  H  -3.077211   1.547422   0.233390
  H  -1.678321   2.329758   1.061248
  H  -1.824287   2.327392  -0.713400
  H  -2.767156  -0.826987  -0.562340
  H  -1.886073  -0.117691  -1.894800
  H  -1.134764  -1.452728  -0.960845
  H   0.597670  -2.747142   1.433712
  H   2.278520  -2.470333   0.872425
  H   1.673007  -1.688925   2.364117
  H   1.955435   1.806763  -1.153552
  H   2.568575   0.299748  -1.886207
  H   0.942985   0.894899  -2.311879
 21
 Energy -312.02748458    Point 74   Kin_en 0.279276
  C   1.111128   0.014979  -0.372424
  C  -0.052368   0.285315   0.807169
  C  -1.224854   0.456442   0.061684
  C   0.945554  -0.850826   0.562508
  C  -1.940099   1.756711   0.144793
  C  -1.756829  -0.561208  -0.881200
  H   0.189548   1.022375   1.579434
  C   1.448823  -2.011130   1.326395
  C   1.631553   0.820520  -1.471327
  H  -3.029699   1.613931   0.182815
  H  -1.606465   2.380001   0.981496
  H  -1.752061   2.310997  -0.793385
  H  -2.796443  -0.777376  -0.580568
  H  -1.836213  -0.157570  -1.903527
  H  -1.183057  -1.491714  -0.898570
  H   0.669379  -2.779869   1.421754
  H   2.327156  -2.437950   0.829309
  H   1.725640  -1.696856   2.343507
  H   1.908559   1.824223  -1.117210
  H   2.535027   0.330977  -1.865961
  H   0.908905   0.920903  -2.293724
 21
 Energy -312.02624212    Point 75   Kin_en 0.278866
  C   1.066303   0.018998  -0.363721
  C  -0.073864   0.253100   0.847186
  C  -1.215732   0.451722   0.058879
  C   0.927265  -0.859372   0.569649
  C  -1.882955   1.780250   0.090751
  C  -1.763316  -0.569976  -0.872692
  H   0.162734   0.982886   1.628434
  C   1.491238  -2.009751   1.305421
  C   1.596001   0.838307  -1.448532
  H  -2.976202   1.673002   0.149727
  H  -1.521328   2.425945   0.898164
  H  -1.693685   2.288064  -0.872540
  H  -2.819412  -0.730955  -0.595704
  H  -1.794762  -0.198162  -1.909253
  H  -1.231621  -1.524817  -0.842773
  H   0.743255  -2.808735   1.405951
  H   2.374801  -2.397622   0.786631
  H   1.774393  -1.699077   2.322016
  H   1.869282   1.837577  -1.078874
  H   2.503831   0.354179  -1.839747
  H   0.882938   0.949356  -2.277908
 21
 Energy -312.02498951    Point 76   Kin_en 0.278337
  C   1.012303   0.023909  -0.357951
  C  -0.096397   0.220350   0.889298
  C  -1.201154   0.446878   0.053418
  C   0.906307  -0.865962   0.576333
  C  -1.823069   1.798929   0.040723
  C  -1.768618  -0.578199  -0.865810
  H   0.133621   0.940470   1.681895
  C   1.531302  -2.001824   1.283289
  C   1.565116   0.852741  -1.425507
  H  -2.916991   1.722634   0.135856
  H  -1.426278   2.464549   0.814580
  H  -1.650868   2.262543  -0.946698
  H  -2.835059  -0.690112  -0.604517
  H  -1.763730  -0.237287  -1.912809
  H  -1.276651  -1.552058  -0.796299
  H   0.816409  -2.830556   1.387112
  H   2.419133  -2.350210   0.744556
  H   1.818916  -1.694301   2.299745
  H   1.838320   1.845675  -1.038734
  H   2.477038   0.367788  -1.805821
  H   0.868384   0.979387  -2.266324
 21
 Energy -312.02390126    Point 77   Kin_en 0.276949
  C   0.947997   0.030539  -0.356747
  C  -0.119197   0.187127   0.934477
  C  -1.177395   0.441855   0.043803
  C   0.883288  -0.868757   0.582469
  C  -1.762524   1.812050  -0.002842
  C  -1.772335  -0.586271  -0.860233
  H   0.101384   0.893577   1.742269
  C   1.566449  -1.987058   1.260110
  C   1.540333   0.862689  -1.403854
  H  -2.853274   1.758573   0.139390
  H  -1.329270   2.492963   0.737423
  H  -1.621779   2.240643  -1.009467
  H  -2.843761  -0.654262  -0.605043
  H  -1.742579  -0.274848  -1.915194
  H  -1.316925  -1.575013  -0.758878
  H   0.883431  -2.842783   1.364540
  H   2.457027  -2.298218   0.703779
  H   1.856438  -1.683855   2.277351
  H   1.805609   1.852176  -1.002670
  H   2.462322   0.375891  -1.755756
  H   0.871901   0.999033  -2.265566
 21
 Energy -312.02336520    Point 78   Kin_en 0.275912
  C   0.873144   0.040360  -0.361745
  C  -0.140757   0.153947   0.982531
  C  -1.139317   0.436710   0.027009
  C   0.860041  -0.866180   0.587820
  C  -1.705513   1.819016  -0.037949
  C  -1.775309  -0.594790  -0.854607
  H   0.063968   0.840090   1.812516
  C   1.594126  -1.966571   1.237319
  C   1.523399   0.867940  -1.384569
  H  -2.789415   1.774165   0.152754
  H  -1.243508   2.510441   0.674909
  H  -1.601790   2.228089  -1.055515
  H  -2.846180  -0.624886  -0.591790
  H  -1.735459  -0.309118  -1.915596
  H  -1.350070  -1.594598  -0.732242
  H   0.936925  -2.843463   1.339308
  H   2.485639  -2.247489   0.666909
  H   1.884425  -1.670274   2.256647
  H   1.779323   1.855267  -0.971838
  H   2.455452   0.373905  -1.696069
  H   0.891304   1.012471  -2.271464
 21
 Energy -312.02436823    Point 79   Kin_en 0.277191
  C   0.790949   0.054020  -0.372905
  C  -0.158173   0.121694   1.030617
  C  -1.085453   0.431506   0.001147
  C   0.837781  -0.858264   0.593429
  C  -1.656031   1.820573  -0.064334
  C  -1.779340  -0.603272  -0.847791
  H   0.020172   0.778845   1.890025
  C   1.613920  -1.943341   1.217085
  C   1.513738   0.869113  -1.367361
  H  -2.730524   1.768703   0.170489
  H  -1.176174   2.520266   0.628998
  H  -1.589232   2.224723  -1.085439
  H  -2.844051  -0.605998  -0.564219
  H  -1.742997  -0.336524  -1.912973
  H  -1.373698  -1.610510  -0.717186
  H   0.973757  -2.834671   1.312484
  H   2.504667  -2.202967   0.635812
  H   1.903140  -1.657940   2.239869
  H   1.765822   1.853217  -0.944304
  H   2.450337   0.362025  -1.638619
  H   0.917280   1.026403  -2.275898
 21
 Energy -312.02832265    Point 80   Kin_en 0.279172
  C   0.708140   0.072079  -0.387509
  C  -0.171243   0.089948   1.076182
  C  -1.021850   0.425962  -0.032598
  C   0.816490  -0.847264   0.600295
  C  -1.613288   1.818664  -0.084786
  C  -1.785847  -0.610749  -0.838483
  H  -0.034504   0.707964   1.971332
  C   1.628613  -1.919970   1.199213
  C   1.508415   0.867326  -1.350886
  H  -2.676541   1.752862   0.190056
  H  -1.120875   2.525941   0.592838
  H  -1.581949   2.225458  -1.105404
  H  -2.841388  -0.592819  -0.528896
  H  -1.760482  -0.356947  -1.906764
  H  -1.392308  -1.623544  -0.708201
  H   0.999775  -2.821671   1.283910
  H   2.517879  -2.162854   0.608769
  H   1.916268  -1.649018   2.226211
  H   1.754011   1.851396  -0.923256
  H   2.448174   0.348765  -1.582037
  H   0.945246   1.032833  -2.278794
 21
 Energy -312.03463390    Point 81   Kin_en 0.277609
  C   0.633295   0.092750  -0.402505
  C  -0.184838   0.055591   1.118125
  C  -0.961578   0.420107  -0.070476
  C   0.794807  -0.835315   0.609013
  C  -1.569958   1.815694  -0.105510
  C  -1.796089  -0.616809  -0.824857
  H  -0.109502   0.622778   2.052528
  C   1.643440  -1.895069   1.180221
  C   1.504229   0.863868  -1.331543
  H  -2.620038   1.741997   0.210977
  H  -1.059456   2.529419   0.552794
  H  -1.575875   2.223653  -1.125498
  H  -2.839804  -0.582532  -0.484102
  H  -1.791342  -0.373716  -1.896115
  H  -1.410926  -1.634318  -0.698678
  H   1.029100  -2.808875   1.250185
  H   2.530932  -2.116159   0.578798
  H   1.931576  -1.640900   2.211035
  H   1.740035   1.851440  -0.905473
  H   2.446918   0.336043  -1.521041
  H   0.974577   1.032137  -2.278966
 21
 Energy -312.03958188    Point 82   Kin_en 0.258209
  C   0.584922   0.106153  -0.411403
  C  -0.210901   0.016751   1.149477
  C  -0.928926   0.413629  -0.100922
  C   0.774320  -0.826225   0.618783
  C  -1.518763   1.817136  -0.133760
  C  -1.815570  -0.620861  -0.805688
  H  -0.205833   0.528340   2.117843
  C   1.666945  -1.865698   1.155199
  C   1.501885   0.860900  -1.305138
  H  -2.552982   1.766367   0.233639
  H  -0.966911   2.533526   0.488111
  H  -1.564358   2.209778  -1.158600
  H  -2.842917  -0.575185  -0.421669
  H  -1.850532  -0.387204  -1.878779
  H  -1.434509  -1.641325  -0.686431
  H   1.085839  -2.802508   1.202955
  H   2.554198  -2.041830   0.538511
  H   1.957844  -1.631118   2.189382
  H   1.714853   1.857261  -0.886453
  H   2.452889   0.334069  -1.446011
  H   1.010499   1.019270  -2.275557
 21
 Energy -312.04261582    Point 83   Kin_en 0.268841
  C   0.564309   0.103475  -0.410677
  C  -0.246682  -0.020437   1.162337
  C  -0.928112   0.405066  -0.115913
  C   0.758200  -0.827154   0.626921
  C  -1.466563   1.826118  -0.167606
  C  -1.850360  -0.620081  -0.785956
  H  -0.289063   0.453271   2.148835
  C   1.703964  -1.834153   1.128900
  C   1.504603   0.860586  -1.271899
  H  -2.482283   1.836635   0.250836
  H  -0.853309   2.538971   0.398854
  H  -1.544979   2.182452  -1.203829
  H  -2.858251  -0.567577  -0.354056
  H  -1.933148  -0.388032  -1.856637
  H  -1.471947  -1.643125  -0.679862
  H   1.180525  -2.805145   1.142576
  H   2.594628  -1.936420   0.499786
  H   1.991425  -1.620913   2.168127
  H   1.668141   1.872455  -0.867948
  H   2.474866   0.358173  -1.356978
  H   1.054747   0.988284  -2.267525
 21
 Energy -312.04438718    Point 84   Kin_en 0.272414
  C   0.548808   0.089411  -0.409880
  C  -0.272839  -0.050965   1.162973
  C  -0.936179   0.395354  -0.126201
  C   0.745795  -0.839387   0.630157
  C  -1.421429   1.835066  -0.197585
  C  -1.896455  -0.610412  -0.770625
  H  -0.332949   0.409090   2.155081
  C   1.747596  -1.801686   1.110567
  C   1.509044   0.860357  -1.233954
  H  -2.418655   1.908175   0.257069
  H  -0.755034   2.537554   0.319961
  H  -1.522128   2.158782  -1.242675
  H  -2.884287  -0.546314  -0.295791
  H  -2.020349  -0.370369  -1.835314
  H  -1.529619  -1.639566  -0.683833
  H   1.299713  -2.808884   1.071947
  H   2.649108  -1.811226   0.487587
  H   2.009656  -1.613144   2.160622
  H   1.590021   1.894250  -0.862734
  H   2.506560   0.407481  -1.241213
  H   1.118143   0.929913  -2.260712
 21
 Energy -312.04518178    Point 85   Kin_en 0.260334
  C   0.536188   0.073375  -0.414018
  C  -0.286586  -0.074302   1.157570
  C  -0.943137   0.387002  -0.135894
  C   0.737632  -0.854541   0.627489
  C  -1.388141   1.840047  -0.212222
  C  -1.940554  -0.594137  -0.760213
  H  -0.350027   0.382459   2.151061
  C   1.784234  -1.770831   1.102890
  C   1.513889   0.855862  -1.203412
  H  -2.374176   1.951140   0.258475
  H  -0.691233   2.527460   0.285123
  H  -1.496198   2.153628  -1.259685
  H  -2.909716  -0.514468  -0.250460
  H  -2.095968  -0.341632  -1.817693
  H  -1.592048  -1.631177  -0.693115
  H   1.425595  -2.805944   0.975193
  H   2.710209  -1.669955   0.524032
  H   1.983686  -1.630407   2.173267
  H   1.468802   1.919987  -0.925998
  H   2.539893   0.491415  -1.086650
  H   1.220164   0.804998  -2.264704
