 35
 Energy -732.89637265    Point 1
  C  -0.359129   0.089398   0.805458
  C  -1.453497  -0.610244  -0.004391
  C   0.029672   1.447565   0.219708
  C   0.854010  -0.803516   1.066702
  C  -1.196747  -1.712997  -0.828191
  C  -2.224609  -2.304398  -1.570086
  C  -3.525332  -1.804819  -1.495426
  C  -3.793820  -0.707142  -0.671610
  C  -2.766723  -0.117664   0.064629
  C  -0.062589   1.727244  -1.150051
  C   0.337352   2.968839  -1.653164
  C   0.828943   3.952395  -0.793077
  C   0.919070   3.686109   0.576332
  C   0.524196   2.444464   1.074745
  C   2.007135  -0.751107   0.272412
  C   3.082901  -1.609013   0.518478
  C   3.025555  -2.528175   1.567796
  C   1.883071  -2.584145   2.371086
  C   0.808748  -1.729987   2.119637
  H  -0.802092   0.299801   1.797396
  H  -0.183544  -2.119315  -0.882822
  H  -2.004036  -3.165620  -2.206783
  H  -4.329164  -2.270131  -2.072014
  H  -4.810111  -0.309949  -0.600708
  H  -2.981596   0.745700   0.702698
  H  -0.463582   0.968394  -1.827407
  H   0.257177   3.168777  -2.725227
  H   1.135859   4.925264  -1.186047
  H   1.296669   4.451069   1.260319
  H   0.602877   2.239034   2.147310
  H   2.067177  -0.022059  -0.540077
  H   3.974565  -1.552205  -0.111926
  H   3.869625  -3.194678   1.763805
  H   1.829339  -3.295248   3.199966
  H  -0.086018  -1.782320   2.748504
 35
 Energy -732.89631194    Point 2   Kin_en 0.519
  C  -0.305070   0.134000   0.676102
  C  -1.398872  -0.562992  -0.137628
  C   0.082618   1.495496   0.097469
  C   0.910884  -0.755513   0.933969
  C  -1.153947  -1.694656  -0.924685
  C  -2.182944  -2.284934  -1.666208
  C  -3.472722  -1.754292  -1.628918
  C  -3.729415  -0.626561  -0.842529
  C  -2.701690  -0.039130  -0.105914
  C   0.003946   1.776899  -1.272871
  C   0.404144   3.020866  -1.769692
  C   0.881914   4.005272  -0.902732
  C   0.958147   3.737346   0.467147
  C   0.563463   2.493095   0.959288
  C   2.047776  -0.722538   0.115228
  C   3.127207  -1.576385   0.357982
  C   3.090486  -2.471889   1.428706
  C   1.964976  -2.508020   2.256413
  C   0.886468  -1.657911   2.008004
  H  -0.748797   0.338710   1.668916
  H  -0.149513  -2.124609  -0.951092
  H  -1.971430  -3.169254  -2.273630
  H  -4.277316  -2.218083  -2.205676
  H  -4.737178  -0.204222  -0.801393
  H  -2.907242   0.847604   0.502437
  H  -0.387078   1.017541  -1.955524
  H   0.334974   3.222178  -2.842267
  H   1.188850   4.980050  -1.290903
  H   1.324710   4.502964   1.156381
  H   0.631262   2.286224   2.032320
  H   2.092234  -0.011479  -0.714084
  H   4.005842  -1.535010  -0.291616
  H   3.937743  -3.135101   1.622115
  H   1.927577  -3.200202   3.102033
  H   0.005027  -1.694443   2.656528
 35
 Energy -732.89623925    Point 3   Kin_en 0.521
  C  -0.306741   0.128788   0.674351
  C  -1.400135  -0.565618  -0.143033
  C   0.080234   1.493620   0.103353
  C   0.911868  -0.757696   0.928748
  C  -1.168773  -1.726568  -0.890206
  C  -2.199041  -2.316704  -1.630421
  C  -3.476418  -1.756085  -1.632179
  C  -3.719617  -0.598285  -0.886010
  C  -2.691063  -0.011548  -0.150270
  C   0.015563   1.777322  -1.267401
  C   0.416082   3.023828  -1.757371
  C   0.879869   4.008652  -0.883152
  C   0.941899   3.738478   0.486933
  C   0.547191   2.491509   0.972276
  C   2.033119  -0.743421   0.087858
  C   3.116173  -1.593085   0.327801
  C   3.099362  -2.465703   1.417967
  C   1.990066  -2.483011   2.267569
  C   0.907395  -1.637069   2.021714
  H  -0.751086   0.327732   1.668113
  H  -0.174171  -2.179315  -0.887059
  H  -1.997886  -3.224273  -2.206254
  H  -4.281888  -2.219264  -2.208208
  H  -4.717676  -0.151705  -0.875879
  H  -2.886147   0.898456   0.426229
  H  -0.365403   1.017829  -1.955659
  H   0.358109   3.226957  -2.830269
  H   1.186898   4.985482  -1.266051
  H   1.297310   4.504359   1.181678
  H   0.603904   2.282891   2.045616
  H   2.062571  -0.049749  -0.756715
  H   3.982324  -1.566383  -0.339094
  H   3.949802  -3.125459   1.609212
  H   1.968425  -3.156923   3.128366
  H   0.038583  -1.658855   2.687703
 35
 Energy -732.89614368    Point 4   Kin_en 0.518
  C  -0.308784   0.123772   0.672212
  C  -1.401777  -0.568063  -0.148665
  C   0.077943   1.491870   0.109014
  C   0.912332  -0.759912   0.923027
  C  -1.184713  -1.756439  -0.855756
  C  -2.216080  -2.346922  -1.594397
  C  -3.480251  -1.758880  -1.635045
  C  -3.709238  -0.573084  -0.929236
  C  -2.679970   0.013569  -0.194633
  C   0.027724   1.778299  -1.261871
  C   0.429107   3.027248  -1.744653
  C   0.879097   4.012014  -0.863134
  C   0.926453   3.739248   0.506965
  C   0.531086   2.489674   0.985158
  C   2.017506  -0.764862   0.060767
  C   3.104313  -1.610055   0.298123
  C   3.108020  -2.458793   1.407321
  C   2.015374  -2.456659   2.278136
  C   0.928387  -1.615261   2.034520
  H  -0.753517   0.317015   1.666991
  H  -0.200641  -2.230377  -0.823055
  H  -2.025868  -3.276150  -2.138549
  H  -4.286470  -2.221852  -2.210204
  H  -4.696921  -0.104318  -0.949951
  H  -2.863939   0.945315   0.349852
  H  -0.342857   1.018966  -1.956010
  H   0.382710   3.232455  -2.817720
  H   1.186778   4.990764  -1.240549
  H   1.270910   4.505033   1.207316
  H   0.576358   2.278950   2.058621
  H   2.031475  -0.089466  -0.798895
  H   3.957557  -1.598708  -0.385625
  H   3.961723  -3.114921   1.596486
  H   2.009811  -3.111691   3.153615
  H   0.072564  -1.621619   2.717449
 35
 Energy -732.89604917    Point 5   Kin_en 0.522
  C  -0.311323   0.119113   0.669919
  C  -1.403317  -0.570772  -0.154568
  C   0.075251   1.490451   0.114640
  C   0.912467  -0.761507   0.917569
  C  -1.201347  -1.784577  -0.821591
  C  -2.233816  -2.375564  -1.558473
  C  -3.483977  -1.762323  -1.637878
  C  -3.697989  -0.550724  -0.972278
  C  -2.667993   0.036068  -0.238960
  C   0.040545   1.779677  -1.256290
  C   0.443752   3.030850  -1.731542
  C   0.879745   4.015298  -0.842501
  C   0.911062   3.739960   0.527468
  C   0.514140   2.487988   0.998187
  C   2.000230  -0.787682   0.033476
  C   3.090657  -1.628609   0.267896
  C   3.116104  -2.451890   1.396070
  C   2.041519  -2.428340   2.288447
  C   0.950328  -1.591216   2.047574
  H  -0.756828   0.306616   1.665490
  H  -0.228333  -2.277835  -0.759525
  H  -2.055152  -3.324820  -2.071031
  H  -4.290855  -2.225265  -2.212132
  H  -4.674620  -0.061626  -1.023677
  H  -2.840250   0.987730   0.273799
  H  -0.320360   1.021046  -1.956316
  H   0.409726   3.238215  -2.804654
  H   1.188812   4.995806  -1.214177
  H   1.244147   4.505482   1.233561
  H   0.546945   2.275238   2.071705
  H   1.997778  -0.131879  -0.841341
  H   3.929937  -1.633989  -0.432985
  H   3.972928  -3.104619   1.582864
  H   2.053125  -3.063091   3.178697
  H   0.108528  -1.580926   2.747684
 35
 Energy -732.89593493    Point 6   Kin_en 0.524
  C  -0.313939   0.114466   0.667287
  C  -1.405088  -0.573164  -0.160883
  C   0.072893   1.489006   0.120240
  C   0.912376  -0.763485   0.911641
  C  -1.219056  -1.810627  -0.787874
  C  -2.252649  -2.402403  -1.522652
  C  -3.488158  -1.766228  -1.640241
  C  -3.686351  -0.530666  -1.014895
  C  -2.655506   0.056733  -0.283343
  C   0.054972   1.780994  -1.250539
  C   0.459866   3.034426  -1.718047
  C   0.880743   4.018669  -0.821473
  C   0.894941   3.740813   0.548200
  C   0.496404   2.486427   1.011249
  C   1.982048  -0.811963   0.006383
  C   3.076307  -1.648200   0.238175
  C   3.124394  -2.444480   1.385046
  C   2.068482  -2.398525   2.298303
  C   0.972853  -1.566132   2.059799
  H  -0.760246   0.296070   1.663650
  H  -0.257657  -2.321668  -0.696596
  H  -2.086195  -3.370232  -2.003619
  H  -4.295793  -2.229442  -2.213220
  H  -4.651376  -0.022956  -1.096603
  H  -2.815496   1.026945   0.197529
  H  -0.295140   1.022962  -1.956716
  H   0.439042   3.243888  -2.791094
  H   1.191210   5.000942  -1.187242
  H   1.215885   4.506129   1.260117
  H   0.515754   2.271820   2.084713
  H   1.962467  -0.177080  -0.883514
  H   3.901030  -1.671274  -0.479421
  H   3.984479  -3.093529   1.569645
  H   2.097766  -3.012013   3.202920
  H   0.145847  -1.538037   2.776831
 35
 Energy -732.89580057    Point 7   Kin_en 0.525
  C  -0.316636   0.109719   0.664240
  C  -1.406921  -0.575542  -0.167523
  C   0.070892   1.487363   0.125644
  C   0.912090  -0.765745   0.905215
  C  -1.237762  -1.834944  -0.754365
  C  -2.272659  -2.427636  -1.486582
  C  -3.492692  -1.770268  -1.642387
  C  -3.674133  -0.512624  -1.057386
  C  -2.642315   0.075436  -0.327731
  C   0.069932   1.782604  -1.244849
  C   0.476607   3.038362  -1.704188
  C   0.882092   4.022185  -0.799912
  C   0.878825   3.741425   0.569133
  C   0.478586   2.484534   1.024089
  C   1.963162  -0.837417  -0.020356
  C   3.061460  -1.668506   0.209378
  C   3.132832  -2.436424   1.374468
  C   2.095956  -2.367299   2.307552
  C   0.995712  -1.540096   2.070951
  H  -0.763513   0.285624   1.661414
  H  -0.288606  -2.362410  -0.633825
  H  -2.119169  -3.412733  -1.935754
  H  -4.301146  -2.233858  -2.213899
  H  -4.626924   0.012137  -1.169232
  H  -2.789529   1.062506   0.121670
  H  -0.268901   1.025294  -1.957311
  H   0.469226   3.250143  -2.776952
  H   1.193973   5.006316  -1.159428
  H   1.187314   4.506305   1.286981
  H   0.484249   2.267868   2.097298
  H   1.925981  -0.224481  -0.924941
  H   3.871343  -1.709900  -0.524097
  H   3.996383  -3.081349   1.557320
  H   2.143484  -2.958436   3.226176
  H   0.183379  -1.494101   2.803673
 35
 Energy -732.89567183    Point 8   Kin_en 0.525
  C  -0.319318   0.105043   0.660912
  C  -1.408952  -0.577914  -0.173999
  C   0.068797   1.485798   0.130694
  C   0.911656  -0.768067   0.898565
  C  -1.257538  -1.857698  -0.720422
  C  -2.293587  -2.451156  -1.450360
  C  -3.497333  -1.774338  -1.644414
  C  -3.661269  -0.496318  -1.099800
  C  -2.628467   0.092537  -0.372094
  C   0.085741   1.784068  -1.239018
  C   0.494229   3.042141  -1.690007
  C   0.883685   4.025463  -0.778122
  C   0.862294   3.741838   0.590095
  C   0.460324   2.482482   1.036772
  C   1.943831  -0.863466  -0.046183
  C   3.046326  -1.689120   0.181531
  C   3.141420  -2.427954   1.363813
  C   2.123814  -2.335267   2.315619
  C   1.018865  -1.513451   2.080875
  H  -0.766579   0.275386   1.658938
  H  -0.321170  -2.400260  -0.570629
  H  -2.153705  -3.452139  -1.867749
  H  -4.306524  -2.238284  -2.214597
  H  -4.601160   0.044187  -1.241903
  H  -2.762137   1.095287   0.045511
  H  -0.241798   1.027576  -1.957652
  H   0.500843   3.256305  -2.762306
  H   1.197055   5.011406  -1.131288
  H   1.157967   4.506279   1.313785
  H   0.451678   2.263574   2.109505
  H   1.888455  -0.273507  -0.964986
  H   3.841013  -1.749385  -0.567106
  H   4.008444  -3.068713   1.544839
  H   2.189648  -2.903805   3.247269
  H   0.221634  -1.448968   2.828618
 35
 Energy -732.89552757    Point 9   Kin_en 0.525
  C  -0.322099   0.100369   0.657618
  C  -1.411094  -0.580279  -0.180307
  C   0.066904   1.484053   0.135749
  C   0.911153  -0.770595   0.891755
  C  -1.277766  -1.878272  -0.687350
  C  -2.314878  -2.472419  -1.415053
  C  -3.501988  -1.778126  -1.646574
  C  -3.648062  -0.482039  -1.141314
  C  -2.614271   0.107547  -0.415462
  C   0.102742   1.785310  -1.233114
  C   0.513078   3.045709  -1.675566
  C   0.885454   4.028780  -0.756160
  C   0.844773   3.742456   0.610960
  C   0.440975   2.480632   1.049187
  C   1.923508  -0.891206  -0.071614
  C   3.030197  -1.711376   0.154249
  C   3.149961  -2.419450   1.353195
  C   2.152547  -2.301630   2.323148
  C   1.042798  -1.485461   2.090141
  H  -0.769430   0.265349   1.656561
  H  -0.354526  -2.434365  -0.508766
  H  -2.188863  -3.487575  -1.801450
  H  -4.311876  -2.242375  -2.215516
  H  -4.574764   0.072478  -1.312943
  H  -2.734251   1.124200  -0.028758
  H  -0.212216   1.029805  -1.958392
  H   0.534517   3.262042  -2.747230
  H   1.200333   5.016543  -1.102842
  H   1.126658   4.506583   1.340447
  H   0.417093   2.259794   2.121286
  H   1.849408  -0.325411  -1.004158
  H   3.809039  -1.791606  -0.609002
  H   4.020536  -3.055841   1.532550
  H   2.237657  -2.845972   3.267608
  H   0.261304  -1.401343   2.852405
 35
 Energy -732.89537511    Point 10   Kin_en 0.525
  C  -0.324772   0.095621   0.654354
  C  -1.413140  -0.582512  -0.186660
  C   0.065160   1.482170   0.140835
  C   0.910601  -0.773376   0.885083
  C  -1.298347  -1.896760  -0.655463
  C  -2.336491  -2.491319  -1.381181
  C  -3.506644  -1.781435  -1.649036
  C  -3.634559  -0.469298  -1.181855
  C  -2.599725   0.120823  -0.457753
  C   0.120587   1.786182  -1.226852
  C   0.532543   3.048844  -1.660833
  C   0.886967   4.031855  -0.734214
  C   0.826322   3.743082   0.631537
  C   0.420895   2.478815   1.061362
  C   1.902144  -0.920890  -0.096233
  C   3.013197  -1.735270   0.127779
  C   3.158678  -2.410773   1.342733
  C   2.182313  -2.266343   2.330105
  C   1.067721  -1.455952   2.098886
  H  -0.772327   0.255269   1.654111
  H  -0.388423  -2.464996  -0.448959
  H  -2.224642  -3.519051  -1.737557
  H  -4.317199  -2.245873  -2.216882
  H  -4.547791   0.097847  -1.382138
  H  -2.705839   1.149771  -0.100939
  H  -0.181193   1.031330  -1.958406
  H   0.569339   3.267195  -2.731673
  H   1.203242   5.021389  -1.074478
  H   1.093801   4.507042   1.366595
  H   0.381236   2.256269   2.132652
  H   1.808160  -0.381239  -1.042351
  H   3.775303  -1.836932  -0.649682
  H   4.032765  -3.042830   1.520314
  H   2.287196  -2.785509   3.286655
  H   0.302742  -1.350958   2.875177
 35
 Energy -732.89521773    Point 11   Kin_en 0.526
  C  -0.327423   0.090664   0.651243
  C  -1.415328  -0.584729  -0.192756
  C   0.063536   1.480022   0.145987
  C   0.909928  -0.776594   0.878385
  C  -1.319420  -1.913310  -0.624416
  C  -2.358671  -2.508005  -1.348180
  C  -3.511448  -1.783978  -1.651603
  C  -3.620671  -0.457700  -1.221590
  C  -2.584735   0.132677  -0.499021
  C   0.139804   1.786334  -1.220369
  C   0.553254   3.051222  -1.645934
  C   0.888262   4.034639  -0.712381
  C   0.806350   3.743878   0.651723
  C   0.399525   2.477146   1.073247
  C   1.880100  -0.951826  -0.119835
  C   2.995742  -1.760059   0.102378
  C   3.167790  -2.401790   1.332251
  C   2.213028  -2.229962   2.335993
  C   1.093343  -1.425804   2.106561
  H  -0.775147   0.245071   1.651797
  H  -0.423184  -2.492500  -0.390398
  H  -2.261423  -3.546916  -1.675199
  H  -4.322763  -2.248390  -2.218375
  H  -4.520129   0.120754  -1.449855
  H  -2.676679   1.172416  -0.171149
  H  -0.147653   1.031882  -1.958072
  H   0.606404   3.271196  -2.715749
  H   1.205771   5.025956  -1.046248
  H   1.058218   4.508036   1.392068
  H   0.343055   2.253210   2.143482
  H   1.765570  -0.439376  -1.078677
  H   3.740693  -1.883664  -0.688411
  H   4.045622  -3.029097   1.508141
  H   2.338493  -2.722810   3.303922
  H   0.345289  -1.299444   2.896033
 35
 Energy -732.89505499    Point 12   Kin_en 0.527
  C  -0.329729   0.085912   0.648187
  C  -1.417188  -0.586701  -0.198713
  C   0.062176   1.478031   0.151135
  C   0.909366  -0.780031   0.871640
  C  -1.340607  -1.928118  -0.593805
  C  -2.380909  -2.522938  -1.315643
  C  -3.515948  -1.786338  -1.654008
  C  -3.606195  -0.447468  -1.260462
  C  -2.569199   0.143180  -0.539344
  C   0.160470   1.786291  -1.213478
  C   0.574812   3.053469  -1.630744
  C   0.888846   4.037738  -0.690709
  C   0.784640   3.745351   0.671395
  C   0.376797   2.476119   1.084677
  C   1.857646  -0.984048  -0.142213
  C   2.977582  -1.786568   0.077993
  C   3.176456  -2.393737   1.321420
  C   2.243977  -2.193129   2.340453
  C   1.119620  -1.394689   2.113041
  H  -0.777432   0.235081   1.649580
  H  -0.458270  -2.517068  -0.332827
  H  -2.298544  -3.571766  -1.613833
  H  -4.327967  -2.250738  -2.219788
  H  -4.491599   0.141110  -1.516220
  H  -2.646850   1.192473  -0.239793
  H  -0.111221   1.031743  -1.957012
  H   0.645154   3.274763  -2.699290
  H   1.207239   5.030861  -1.018274
  H   1.019752   4.510014   1.416704
  H   0.302568   2.251158   2.153612
  H   1.721984  -0.500062  -1.112962
  H   3.704753  -1.933316  -0.725271
  H   4.057594  -3.016931   1.495367
  H   2.390102  -2.659185   3.318691
  H   0.389070  -1.245849   2.914882
 35
 Energy -732.89489287    Point 13   Kin_en 0.527
  C  -0.331544   0.081219   0.645163
  C  -1.418847  -0.588617  -0.204228
  C   0.061036   1.476035   0.156152
  C   0.909251  -0.783431   0.864952
  C  -1.361952  -1.941208  -0.563808
  C  -2.403353  -2.535803  -1.283904
  C  -3.520374  -1.787938  -1.656294
  C  -3.591316  -0.438236  -1.298107
  C  -2.553080   0.152353  -0.578409
  C   0.182765   1.785767  -1.206411
  C   0.597560   3.055335  -1.615364
  C   0.888688   4.040990  -0.669253
  C   0.760720   3.747429   0.690442
  C   0.352405   2.475579   1.095521
  C   1.834645  -1.017892  -0.163529
  C   2.959026  -1.814413   0.054889
  C   3.185250  -2.385923   1.310600
  C   2.275244  -2.156037   2.343496
  C   1.146252  -1.363377   2.118079
  H  -0.779085   0.225444   1.647375
  H  -0.493778  -2.538883  -0.276490
  H  -2.336170  -3.593266  -1.554091
  H  -4.333185  -2.252130  -2.221130
  H  -4.462499   0.159309  -1.580475
  H  -2.616116   1.209923  -0.306239
  H  -0.071509   1.030785  -1.955620
  H   0.686289   3.277600  -2.682332
  H   1.207593   5.035993  -0.990553
  H   0.977502   4.513005   1.440356
  H   0.259200   2.249926   2.162813
  H   1.677290  -0.563540  -1.145220
  H   3.668064  -1.985015  -0.759789
  H   4.069842  -3.004697   1.482753
  H   2.442304  -2.594736   3.330992
  H   0.433413  -1.191560   2.931175
 35
 Energy -732.89472818    Point 14   Kin_en 0.527
  C  -0.333268   0.076429   0.642577
  C  -1.420540  -0.590303  -0.209345
  C   0.059985   1.473838   0.161458
  C   0.909043  -0.787315   0.858377
  C  -1.383628  -1.952570  -0.534462
  C  -2.426075  -2.546670  -1.253060
  C  -3.524842  -1.788826  -1.658559
  C  -3.576177  -0.429746  -1.334674
  C  -2.536680   0.160627  -0.616257
  C   0.206927   1.784218  -1.198571
  C   0.621818   3.056032  -1.599702
  C   0.888081   4.043815  -0.648363
  C   0.734673   3.749923   0.708470
  C   0.326066   2.475578   1.105794
  C   1.811562  -1.052037  -0.183153
  C   2.940430  -1.842573   0.033024
  C   3.194263  -2.378312   1.299265
  C   2.307048  -2.118801   2.344760
  C   1.173424  -1.331942   2.121719
  H  -0.780508   0.215554   1.645681
  H  -0.529820  -2.558009  -0.221425
  H  -2.374294  -3.611544  -1.496128
  H  -4.338424  -2.252632  -2.222604
  H  -4.432847   0.175863  -1.643114
  H  -2.584872   1.225429  -0.370975
  H  -0.027888   1.027941  -1.952767
  H   0.730338   3.278557  -2.664776
  H   1.207351   5.040592  -0.963722
  H   0.931662   4.516977   1.462310
  H   0.212538   2.249902   2.171104
  H   1.632120  -0.627893  -1.174437
  H   3.631022  -2.037227  -0.792041
  H   4.082177  -2.992883   1.469305
  H   2.495208  -2.530028   3.340239
  H   0.478601  -1.136850   2.945075
 35
 Energy -732.89457369    Point 15   Kin_en 0.527
  C  -0.334659   0.071756   0.640357
  C  -1.421996  -0.591864  -0.213937
  C   0.059018   1.471750   0.166889
  C   0.909045  -0.791311   0.851975
  C  -1.405070  -1.962294  -0.505868
  C  -2.448445  -2.555651  -1.223316
  C  -3.528828  -1.789061  -1.661002
  C  -3.560527  -0.422160  -1.370130
  C  -2.519843   0.167739  -0.652673
  C   0.232324   1.782287  -1.190137
  C   0.646502   3.056478  -1.583776
  C   0.886464   4.046881  -0.627985
  C   0.707017   3.752962   0.725504
  C   0.298638   2.476074   1.115386
  C   1.787927  -1.087439  -0.201390
  C   2.921129  -1.872245   0.012438
  C   3.202985  -2.371463   1.287707
  C   2.339119  -2.081438   2.344557
  C   1.201161  -1.300030   2.124091
  H  -0.781437   0.205871   1.644357
  H  -0.565743  -2.574531  -0.167783
  H  -2.412083  -3.626806  -1.440257
  H  -4.343134  -2.252304  -2.224464
  H  -4.402650   0.190429  -1.703781
  H  -2.553275   1.238565  -0.433103
  H   0.018295   1.024427  -1.948839
  H   0.775410   3.278892  -2.646601
  H   1.205555   5.045506  -0.937622
  H   0.883288   4.521781   1.482668
  H   0.164194   2.250892   2.178358
  H   1.585380  -0.694769  -1.201128
  H   3.592727  -2.091906  -0.821965
  H   4.094062  -2.982055   1.455505
  H   2.548705  -2.464667   3.346899
  H   0.524811  -1.080909   2.956728
 35
 Energy -732.89442371    Point 16   Kin_en 0.526
  C  -0.335514   0.067165   0.638310
  C  -1.423124  -0.593228  -0.218195
  C   0.058541   1.469617   0.172325
  C   0.909354  -0.795498   0.845751
  C  -1.426583  -1.970584  -0.477681
  C  -2.470954  -2.562985  -1.194042
  C  -3.532606  -1.788655  -1.663263
  C  -3.544311  -0.415131  -1.404649
  C  -2.502371   0.174084  -0.688047
  C   0.258828   1.780035  -1.181140
  C   0.671731   3.056637  -1.567524
  C   0.883765   4.050081  -0.608141
  C   0.677272   3.756530   0.741400
  C   0.269893   2.476988   1.124119
  C   1.764349  -1.123363  -0.217909
  C   2.901759  -1.902663  -0.006678
  C   3.211582  -2.365412   1.275869
  C   2.371166  -2.044656   2.342638
  C   1.229170  -1.268358   2.124974
  H  -0.781745   0.196474   1.643189
  H  -0.602001  -2.588778  -0.114996
  H  -2.450413  -3.639411  -1.385380
  H  -4.347676  -2.251213  -2.226182
  H  -4.371618   0.203676  -1.763008
  H  -2.520635   1.250014  -0.493549
  H   0.067363   1.020024  -1.943619
  H   0.821877   3.278679  -2.627615
  H   1.202206   5.050595  -0.912278
  H   0.831409   4.527506   1.501196
  H   0.113609   2.252493   2.184238
  H   1.538581  -0.762366  -1.224525
  H   3.554216  -2.147533  -0.849220
  H   4.105611  -2.972322   1.441254
  H   2.602032  -2.400054   3.350538
  H   0.571472  -1.024967   2.965751
 35
 Energy -732.89428570    Point 17   Kin_en 0.528
  C  -0.336139   0.062518   0.636850
  C  -1.424239  -0.594415  -0.221697
  C   0.058055   1.467348   0.178038
  C   0.909830  -0.799958   0.839760
  C  -1.448183  -1.977373  -0.450080
  C  -2.493460  -2.568393  -1.165814
  C  -3.536226  -1.787239  -1.665590
  C  -3.527796  -0.408462  -1.437891
  C  -2.484591   0.179665  -0.721830
  C   0.287498   1.776713  -1.171183
  C   0.698598   3.055684  -1.550862
  C   0.880266   4.052992  -0.589070
  C   0.644831   3.760656   0.755832
  C   0.238824   2.478515   1.131902
  C   1.740815  -1.159453  -0.232764
  C   2.882311  -1.933526  -0.024615
  C   3.220308  -2.359860   1.263437
  C   2.403623  -2.008217   2.338819
  C   1.257591  -1.236962   2.124435
  H  -0.781596   0.187102   1.642684
  H  -0.638487  -2.600841  -0.063494
  H  -2.488779  -3.649078  -1.332692
  H  -4.352048  -2.248796  -2.228242
  H  -4.340167   0.215799  -1.820159
  H  -2.487753   1.259689  -0.551365
  H   0.120970   1.013759  -1.936482
  H   0.871626   3.276628  -2.607694
  H   1.197757   5.055346  -0.888098
  H   0.775085   4.534370   1.517301
  H   0.059116   2.255341   2.188591
  H   1.491365  -0.830401  -1.244705
  H   3.515356  -2.203671  -0.874200
  H   4.117214  -2.963223   1.426180
  H   2.656046  -2.335726   3.350989
  H   0.618951  -0.969089   2.972426
 35
 Energy -732.89416617    Point 18   Kin_en 0.528
  C  -0.336362   0.058198   0.635811
  C  -1.425014  -0.595372  -0.224634
  C   0.057850   1.465346   0.183927
  C   0.910493  -0.804313   0.834021
  C  -1.469506  -1.982801  -0.422678
  C  -2.515483  -2.572479  -1.138013
  C  -3.539218  -1.785646  -1.667738
  C  -3.510696  -0.402686  -1.470118
  C  -2.466345   0.184398  -0.754420
  C   0.317779   1.773181  -1.160213
  C   0.726291   3.054597  -1.533670
  C   0.875870   4.056215  -0.570667
  C   0.610562   3.765448   0.768839
  C   0.206410   2.480711   1.138685
  C   1.716701  -1.196013  -0.246155
  C   2.862369  -1.964819  -0.041409
  C   3.228476  -2.355191   1.250323
  C   2.435666  -1.972858   2.333066
  C   1.286090  -1.205945   2.122412
  H  -0.781087   0.178295   1.642532
  H  -0.674831  -2.610672  -0.012657
  H  -2.526680  -3.656534  -1.281018
  H  -4.355667  -2.246255  -2.230256
  H  -4.308001   0.226153  -1.875872
  H  -2.454101   1.267721  -0.607585
  H   0.178265   1.006717  -1.927301
  H   0.923162   3.274064  -2.586616
  H   1.191934   5.060436  -0.864889
  H   0.715765   4.542211   1.531073
  H   0.002400   2.259229   2.191285
  H   1.443251  -0.898890  -1.261735
  H   3.475845  -2.260297  -0.896908
  H   4.128072  -2.955330   1.410067
  H   2.709484  -2.273074   3.348130
  H   0.666635  -0.913436   2.976450
 35
 Energy -732.89406794    Point 19   Kin_en 0.528
  C  -0.336127   0.054245   0.635100
  C  -1.425525  -0.595992  -0.226961
  C   0.057820   1.463661   0.189877
  C   0.911396  -0.808600   0.828352
  C  -1.491059  -1.986949  -0.394245
  C  -2.537627  -2.575414  -1.109220
  C  -3.541647  -1.783936  -1.669400
  C  -3.492477  -0.397759  -1.502309
  C  -2.447107   0.188373  -0.786848
  C   0.349285   1.769629  -1.148318
  C   0.754564   3.053571  -1.515916
  C   0.870490   4.059775  -0.552872
  C   0.574437   3.770826   0.780425
  C   0.172696   2.483453   1.144371
  C   1.693207  -1.231531  -0.258014
  C   2.842553  -1.995920  -0.057204
  C   3.236081  -2.351808   1.236402
  C   2.466884  -1.939524   2.325195
  C   1.314185  -1.176297   2.118690
  H  -0.779915   0.169971   1.642769
  H  -0.711847  -2.618317   0.039554
  H  -2.565165  -3.662095  -1.228059
  H  -4.358643  -2.243701  -2.231814
  H  -4.274185   0.234808  -1.931917
  H  -2.419092   1.274266  -0.663878
  H   0.238336   0.999293  -1.916077
  H   0.976099   3.271387  -2.564291
  H   1.184705   5.065897  -0.842546
  H   0.653478   4.550855   1.542488
  H  -0.056389   2.263778   2.192181
  H   1.395892  -0.965224  -1.275436
  H   3.436641  -2.316111  -0.917476
  H   4.138021  -2.949280   1.392868
  H   2.761633  -2.213531   3.341806
  H   0.713727  -0.859639   2.977677
 35
 Energy -732.89399654    Point 20   Kin_en 0.528
  C  -0.335550   0.050300   0.634919
  C  -1.426027  -0.596412  -0.228436
  C   0.057960   1.461762   0.196125
  C   0.912749  -0.813020   0.822652
  C  -1.512809  -1.989757  -0.366222
  C  -2.559930  -2.576642  -1.081175
  C  -3.544020  -1.781243  -1.670846
  C  -3.473889  -0.392933  -1.533158
  C  -2.427402   0.191937  -0.817809
  C   0.382466   1.765249  -1.135124
  C   0.784058   3.051631  -1.497505
  C   0.864114   4.063038  -0.536103
  C   0.535634   3.776580   0.789960
  C   0.136906   2.486609   1.148650
  C   1.670551  -1.266408  -0.268429
  C   2.823415  -2.026691  -0.071743
  C   3.243778  -2.349119   1.222123
  C   2.497834  -1.907517   2.315648
  C   1.342231  -1.147751   2.113427
  H  -0.777826   0.161216   1.643778
  H  -0.749217  -2.624040   0.090631
  H  -2.603982  -3.665070  -1.176826
  H  -4.361614  -2.239859  -2.233302
  H  -4.239815   0.242712  -1.985972
  H  -2.383255   1.279567  -0.717952
  H   0.302076   0.990487  -1.902132
  H   1.031645   3.267252  -2.540480
  H   1.176121   5.071006  -0.821714
  H   0.586789   4.560352   1.550561
  H  -0.118523   2.269241   2.190826
  H   1.350428  -1.029568  -1.286236
  H   3.398539  -2.370926  -0.935621
  H   4.147920  -2.944130   1.375192
  H   2.813083  -2.156032   3.332654
  H   0.760471  -0.807619   2.976278
 35
 Energy -732.89394410    Point 21   Kin_en 0.528
  C  -0.334990   0.046379   0.634659
  C  -1.426530  -0.596836  -0.229935
  C   0.058176   1.459917   0.202308
  C   0.913873  -0.817466   0.817023
  C  -1.535187  -1.991600  -0.337856
  C  -2.582938  -2.577039  -1.052537
  C  -3.546547  -1.778774  -1.671929
  C  -3.454802  -0.389322  -1.564039
  C  -2.407143   0.194365  -0.848896
  C   0.416399   1.761101  -1.120853
  C   0.814022   3.049971  -1.478165
  C   0.857869   4.066219  -0.519377
  C   0.496848   3.781885   0.798538
  C   0.100961   2.489397   1.151977
  C   1.647988  -1.300369  -0.277536
  C   2.804534  -2.056349  -0.085280
  C   3.251429  -2.346093   1.207348
  C   2.528322  -1.876113   2.304459
  C   1.369765  -1.119868   2.106812
  H  -0.775972   0.152837   1.644562
  H  -0.787656  -2.627937   0.142293
  H  -2.644041  -3.666457  -1.124640
  H  -4.364828  -2.236349  -2.234231
  H  -4.204458   0.248697  -2.040190
  H  -2.346497   1.282990  -0.772308
  H   0.367624   0.981899  -1.885915
  H   1.088016   3.263606  -2.514922
  H   1.167665   5.076026  -0.800873
  H   0.520118   4.569114   1.556933
  H  -0.181033   2.274080   2.187706
  H   1.304866  -1.092740  -1.294263
  H   3.360898  -2.423877  -0.951845
  H   4.157871  -2.938503   1.356836
  H   2.863897  -2.099705   3.320745
  H   0.806587  -0.756597   2.972546
 35
 Energy -732.89391812    Point 22   Kin_en 0.528
  C  -0.334194   0.042855   0.634839
  C  -1.426837  -0.597131  -0.230719
  C   0.058417   1.458310   0.208547
  C   0.915142  -0.821660   0.811551
  C  -1.558155  -1.992284  -0.307994
  C  -2.606404  -2.576417  -1.022512
  C  -3.548354  -1.776393  -1.672676
  C  -3.434025  -0.386746  -1.595618
  C  -2.385601   0.195787  -0.880234
  C   0.450682   1.757324  -1.105509
  C   0.843896   3.048696  -1.458067
  C   0.850806   4.069676  -0.503211
  C   0.457257   3.787292   0.805665
  C   0.064772   2.492250   1.154154
  C   1.625944  -1.332794  -0.285514
  C   2.785858  -2.085068  -0.098254
  C   3.258447  -2.343999   1.191697
  C   2.557754  -1.846899   2.291502
  C   1.396620  -1.093577   2.098923
  H  -0.773739   0.144981   1.645825
  H  -0.827452  -2.629753   0.196126
  H  -2.685316  -3.666026  -1.070397
  H  -4.367126  -2.233066  -2.235024
  H  -4.166513   0.252658  -2.096009
  H  -2.307725   1.284642  -0.827478
  H   0.434250   0.973741  -1.867370
  H   1.144494   3.260470  -2.487804
  H   1.157932   5.081371  -0.780832
  H   0.452226   4.577864   1.560917
  H  -0.243784   2.278799   2.182671
  H   1.260358  -1.152373  -1.299653
  H   3.323926  -2.474836  -0.966658
  H   4.166966  -2.934202   1.337238
  H   2.913133  -2.046984   3.305953
  H   0.851722  -0.708027   2.966709
 35
 Energy -732.89394410    Point 23   Kin_en 18.815
  C  -0.333288   0.041829   0.635871
  C  -1.427621  -0.593918  -0.230713
  C   0.062779   1.456805   0.211468
  C   0.913764  -0.826367   0.811063
  C  -2.355454   0.200302  -0.921482
  C  -3.405089  -0.380101  -1.637505
  C  -3.550493  -1.768224  -1.674742
  C  -2.638938  -2.569450  -0.983554
  C  -1.590533  -1.987759  -0.267878
  C   0.508756   1.743860  -1.088103
  C   0.898900   3.035843  -1.441143
  C   0.850615   4.069306  -0.500837
  C   0.404693   3.798597   0.793492
  C   0.014053   2.502829   1.142220
  C   1.593039  -1.383089  -0.283669
  C   2.754115  -2.134296  -0.097781
  C   3.258147  -2.347751   1.188431
  C   2.587999  -1.806045   2.286402
  C   1.426660  -1.053110   2.095219
  H  -0.772673   0.144018   1.646910
  H  -2.253150   1.288126  -0.900414
  H  -4.113535   0.260296  -2.170195
  H  -4.369782  -2.223105  -2.237763
  H  -2.742494  -3.657925  -1.000003
  H  -0.883667  -2.625950   0.268498
  H   0.540654   0.949374  -1.838003
  H   1.242030   3.238119  -2.459425
  H   1.156641   5.081313  -0.778546
  H   0.357199   4.598626   1.537225
  H  -0.336809   2.298750   2.159019
  H   1.199849  -1.241947  -1.293785
  H   3.267397  -2.560080  -0.964284
  H   4.166751  -2.938061   1.332989
  H   2.967643  -1.971113   3.298359
  H   0.906357  -0.631628   2.961390
 35
 Energy -732.89399654    Point 24   Kin_en 0.528
  C  -0.331338   0.039043   0.637916
  C  -1.427220  -0.593224  -0.229287
  C   0.063737   1.455688   0.218578
  C   0.915756  -0.830422   0.806450
  C  -2.332446   0.200458  -0.949398
  C  -3.382445  -0.378733  -1.666401
  C  -3.550255  -1.764578  -1.675288
  C  -2.660925  -2.565314  -0.954736
  C  -1.612723  -1.985027  -0.238166
  C   0.545592   1.739681  -1.068840
  C   0.929517   3.034140  -1.419256
  C   0.840432   4.073046  -0.487864
  C   0.360005   3.805137   0.794578
  C  -0.025434   2.506888   1.140330
  C   1.571868  -1.413040  -0.288860
  C   2.735290  -2.162403  -0.109196
  C   3.263734  -2.349174   1.171237
  C   2.615947  -1.782388   2.270113
  C   1.453115  -1.030540   2.085140
  H  -0.768791   0.137067   1.650207
  H  -2.212693   1.286625  -0.950638
  H  -4.073296   0.261202  -2.222253
  H  -4.369633  -2.218423  -2.239015
  H  -2.782295  -3.652036  -0.948947
  H  -0.922984  -2.622535   0.321034
  H   0.613401   0.939902  -1.810633
  H   1.301022   3.234015  -2.428010
  H   1.142492   5.086902  -0.763176
  H   0.281365   4.609160   1.531332
  H  -0.404407   2.305133   2.147465
  H   1.157438  -1.295189  -1.293539
  H   3.230525  -2.608537  -0.975969
  H   4.173578  -2.938729   1.310990
  H   3.014526  -1.926998   3.277908
  H   0.950904  -0.588466   2.951730
 35
 Energy -732.89406794    Point 25   Kin_en 0.528
  C  -0.329373   0.036195   0.639905
  C  -1.426817  -0.592539  -0.227882
  C   0.064490   1.454479   0.225777
  C   0.917850  -0.834494   0.801792
  C  -2.309379   0.199748  -0.976485
  C  -3.359926  -0.378081  -1.694293
  C  -3.550333  -1.760720  -1.675585
  C  -2.683273  -2.560092  -0.926562
  C  -1.635169  -1.981269  -0.209154
  C   0.582851   1.735539  -1.048036
  C   0.960855   3.032312  -1.396037
  C   0.830503   4.076320  -0.475173
  C   0.314860   3.811062   0.794026
  C  -0.065503   2.510469   1.137040
  C   1.551240  -1.442204  -0.293122
  C   2.716847  -2.189993  -0.119744
  C   3.269379  -2.350480   1.153948
  C   2.643787  -1.758849   2.252778
  C   1.479381  -1.008244   2.074084
  H  -0.764819   0.129627   1.653510
  H  -2.172022   1.283532  -0.999368
  H  -4.033187   0.260726  -2.272567
  H  -4.369970  -2.213428  -2.239879
  H  -2.822496  -3.644357  -0.899041
  H  -0.962707  -2.617451   0.372343
  H   0.686341   0.930825  -1.780283
  H   1.361205   3.229827  -2.394155
  H   1.128791   5.091912  -0.748206
  H   0.204770   4.618851   1.522593
  H  -0.472722   2.310754   2.133517
  H   1.116180  -1.346455  -1.291489
  H   3.194300  -2.656034  -0.986033
  H   4.180447  -2.939256   1.288938
  H   3.061249  -1.883141   3.255629
  H   0.995068  -0.545908   2.940298
 35
 Energy -732.89416617    Point 26   Kin_en 0.528
  C  -0.327227   0.033787   0.642310
  C  -1.426424  -0.591604  -0.225639
  C   0.065514   1.453621   0.232816
  C   0.919895  -0.838190   0.797275
  C  -2.285568   0.197863  -1.003311
  C  -3.336351  -0.378969  -1.722068
  C  -3.549796  -1.757374  -1.675270
  C  -2.705621  -2.553986  -0.897308
  C  -1.657750  -1.976309  -0.179105
  C   0.620912   1.732131  -1.025812
  C   0.992710   3.031240  -1.371676
  C   0.820275   4.079947  -0.463117
  C   0.268964   3.816948   0.791453
  C  -0.106037   2.514060   1.131911
  C   1.531174  -1.469223  -0.296878
  C   2.698669  -2.215944  -0.130315
  C   3.274242  -2.352662   1.135786
  C   2.670139  -1.738112   2.234238
  C   1.504537  -0.988120   2.062309
  H  -0.760536   0.123375   1.657154
  H  -2.130252   1.278469  -1.048195
  H  -3.991452   0.257599  -2.323213
  H  -4.369517  -2.209239  -2.240116
  H  -2.863063  -3.634971  -0.847799
  H  -1.002928  -2.610069   0.424928
  H   0.761490   0.922898  -1.746809
  H   1.422453   3.226734  -2.357902
  H   1.114574   5.097269  -0.734044
  H   0.126840   4.628198   1.510574
  H  -0.541970   2.316163   2.116526
  H   1.076439  -1.393357  -1.288248
  H   3.158936  -2.700315  -0.995855
  H   4.186306  -2.941055   1.265619
  H   3.105664  -1.844030   3.231498
  H   1.037594  -0.507001   2.927832
 35
 Energy -732.89428570    Point 27   Kin_en 0.528
  C  -0.324556   0.031566   0.645091
  C  -1.425720  -0.590456  -0.222752
  C   0.066751   1.452897   0.239907
  C   0.922258  -0.841957   0.792922
  C  -2.261312   0.195455  -1.028627
  C  -3.312322  -0.380246  -1.748441
  C  -3.548835  -1.753542  -1.674566
  C  -2.727640  -2.546618  -0.868581
  C  -1.680064  -1.970170  -0.149410
  C   0.659841   1.729102  -1.001880
  C   1.024618   3.030560  -1.346368
  C   0.808952   4.083707  -0.452248
  C   0.221531   3.822713   0.786256
  C  -0.147448   2.517546   1.124747
  C   1.511886  -1.495065  -0.300026
  C   2.680883  -2.241329  -0.140458
  C   3.278659  -2.355937   1.117396
  C   2.695661  -1.719529   2.215008
  C   1.529213  -0.969638   2.050020
  H  -0.755509   0.117388   1.661245
  H  -2.087871   1.272170  -1.094737
  H  -3.949205   0.253443  -2.371794
  H  -4.368637  -2.204462  -2.240051
  H  -2.903358  -3.623606  -0.797869
  H  -1.043013  -2.600912   0.476570
  H   0.838004   0.915497  -1.709573
  H   1.484087   3.224242  -2.319453
  H   1.098697   5.102786  -0.721502
  H   0.046569   4.637251   1.494341
  H  -0.612360   2.321185   2.096346
  H   1.038259  -1.437395  -1.283828
  H   3.124374  -2.743108  -1.004855
  H   4.191456  -2.944346   1.241931
  H   3.148685  -1.808313   3.206128
  H   1.079232  -0.470598   2.914410
 35
 Energy -732.89442371    Point 28   Kin_en 0.528
  C  -0.321445   0.029567   0.648321
  C  -1.424706  -0.589001  -0.219322
  C   0.068156   1.452331   0.247237
  C   0.924974  -0.845647   0.788796
  C  -2.235970   0.192243  -1.053565
  C  -3.287033  -0.382273  -1.774690
  C  -3.547310  -1.749358  -1.673730
  C  -2.749927  -2.537862  -0.839446
  C  -1.702742  -1.962666  -0.119111
  C   0.697793   1.726664  -0.976766
  C   1.055691   3.030359  -1.320160
  C   0.796767   4.087399  -0.442278
  C   0.173431   3.828076   0.778945
  C  -0.188789   2.520675   1.116093
  C   1.493539  -1.519329  -0.302639
  C   2.663561  -2.265883  -0.150329
  C   3.282687  -2.360264   1.098703
  C   2.720423  -1.703136   2.195112
  C   1.553433  -0.952863   2.037365
  H  -0.749914   0.111411   1.665837
  H  -2.043892   1.264212  -1.140908
  H  -3.905067   0.247686  -2.420375
  H  -4.367109  -2.199278  -2.240015
  H  -2.944432  -3.610012  -0.747566
  H  -1.083784  -2.589505   0.528773
  H   0.913029   0.909223  -1.669607
  H   1.544545   3.222667  -2.279106
  H   1.081673   5.108173  -0.710285
  H  -0.034637   4.645584   1.474542
  H  -0.682295   2.325315   2.073693
  H   1.002098  -1.477749  -1.278553
  H   3.090679  -2.783954  -1.013355
  H   4.195918  -2.949133   1.217761
  H   3.190388  -1.776111   3.179621
  H   1.120077  -0.436975   2.900346
 35
 Energy -732.89457369    Point 29   Kin_en 0.526
  C  -0.318286   0.028004   0.652006
  C  -1.423696  -0.587320  -0.215149
  C   0.069482   1.452149   0.254624
  C   0.927554  -0.849133   0.784856
  C  -2.209671   0.187743  -1.078346
  C  -3.260380  -0.386013  -1.801014
  C  -3.545029  -1.745765  -1.672534
  C  -2.772417  -2.528125  -0.809392
  C  -1.725915  -1.953775  -0.087794
  C   0.735403   1.725093  -0.950264
  C   1.086236   3.030916  -1.293093
  C   0.784471   4.091234  -0.433072
  C   0.125746   3.833080   0.769738
  C  -0.229750   2.523612   1.105995
  C   1.476038  -1.541134  -0.305231
  C   2.646744  -2.288520  -0.160596
  C   3.286050  -2.365238   1.079331
  C   2.743699  -1.689416   2.174613
  C   1.576401  -0.938341   2.024522
  H  -0.744061   0.105992   1.670951
  H  -1.998528   1.254125  -1.187217
  H  -3.858780   0.239031  -2.469592
  H  -4.364575  -2.195004  -2.239726
  H  -2.986222  -3.594515  -0.695992
  H  -1.125899  -2.575637   0.582478
  H   0.986934   0.904390  -1.626924
  H   1.604046   3.222208  -2.236917
  H   1.064435   5.113644  -0.700082
  H  -0.114966   4.653127   1.451692
  H  -0.751255   2.328959   2.048805
  H   0.967961  -1.513242  -1.273150
  H   3.058215  -2.821162  -1.022377
  H   4.199518  -2.954892   1.192596
  H   3.229778  -1.748463   3.152208
  H   1.158941  -0.407252   2.886126
 35
 Energy -732.89472818    Point 30   Kin_en 0.527
  C  -0.314694   0.026795   0.655793
  C  -1.422368  -0.585417  -0.210647
  C   0.070896   1.452359   0.262033
  C   0.930482  -0.852285   0.780820
  C  -2.182472   0.182085  -1.102844
  C  -3.232738  -0.391119  -1.827008
  C  -3.542221  -1.742380  -1.670930
  C  -2.794972  -2.517262  -0.778848
  C  -1.749247  -1.943532  -0.055999
  C   0.772450   1.724653  -0.922483
  C   1.116024   3.032564  -1.265045
  C   0.771631   4.095388  -0.424444
  C   0.077967   3.837693   0.758764
  C  -0.270405   2.526220   1.094431
  C   1.459096  -1.561799  -0.307648
  C   2.630115  -2.310489  -0.170791
  C   3.288752  -2.371202   1.059725
  C   2.765883  -1.677833   2.153686
  C   1.598757  -0.925284   2.011320
  H  -0.737580   0.100839   1.676225
  H  -1.951874   1.241973  -1.233223
  H  -3.811104   0.227873  -2.518428
  H  -4.361462  -2.191062  -2.239002
  H  -3.028421  -3.577008  -0.643865
  H  -1.168531  -2.559286   0.636754
  H   1.059804   0.901440  -1.581641
  H   1.662353   3.223408  -2.192753
  H   1.046335   5.119423  -0.690704
  H  -0.195391   4.659723   1.425872
  H  -0.819435   2.331724   2.021520
  H   0.935278  -1.545804  -1.267472
  H   3.026353  -2.856794  -1.031153
  H   4.202157  -2.962058   1.167095
  H   3.267344  -1.724386   3.124160
  H   1.196684  -0.379916   2.871330
 35
 Energy -732.89489287    Point 31   Kin_en 0.527
  C  -0.310834   0.025876   0.659898
  C  -1.420866  -0.583220  -0.205667
  C   0.072375   1.452848   0.269513
  C   0.933521  -0.855400   0.776928
  C  -2.153958   0.175174  -1.127325
  C  -3.203479  -0.397721  -1.853201
  C  -3.538611  -1.739200  -1.669274
  C  -2.817874  -2.505007  -0.747804
  C  -1.773196  -1.931633  -0.023522
  C   0.808070   1.725301  -0.893940
  C   1.144125   3.035324  -1.236417
  C   0.758133   4.099762  -0.416300
  C   0.030712   3.841743   0.746506
  C  -0.310122   2.528308   1.081865
  C   1.442771  -1.581190  -0.309913
  C   2.613614  -2.331916  -0.180933
  C   3.290911  -2.378173   1.039938
  C   2.787331  -1.668037   2.132385
  C   1.620696  -0.913522   1.997917
  H  -0.730652   0.096019   1.681835
  H  -1.903286   1.227572  -1.279361
  H  -3.760962   0.214036  -2.567840
  H  -4.357368  -2.187503  -2.238342
  H  -3.071754  -3.557002  -0.590961
  H  -1.212786  -2.540024   0.692233
  H   1.129493   0.900273  -1.534979
  H   1.717791   3.226464  -2.147413
  H   1.027338   5.125410  -0.681996
  H  -0.274531   4.665121   1.397958
  H  -0.885699   2.333331   1.992624
  H   0.903974  -1.575872  -1.261561
  H   2.994790  -2.891117  -1.039826
  H   4.203916  -2.970711   1.141343
  H   3.303740  -1.703120   3.095486
  H   1.233933  -0.354738   2.856340
 35
 Energy -732.89505499    Point 32   Kin_en 0.527
  C  -0.307036   0.025270   0.664333
  C  -1.419315  -0.581017  -0.200227
  C   0.073464   1.453645   0.276894
  C   0.936457  -0.858202   0.773190
  C  -2.124522   0.166645  -1.151566
  C  -3.173052  -0.406189  -1.879259
  C  -3.534596  -1.736503  -1.667281
  C  -2.841213  -2.491632  -0.716179
  C  -1.797685  -1.918440   0.009588
  C   0.843160   1.726838  -0.864022
  C   1.171797   3.038809  -1.206827
  C   0.744763   4.104177  -0.408736
  C  -0.015747   3.845249   0.732654
  C  -0.349119   2.530035   1.068031
  C   1.427120  -1.598418  -0.312253
  C   2.597506  -2.351524  -0.191589
  C   3.292552  -2.385391   1.019538
  C   2.807569  -1.660275   2.110718
  C   1.641565  -0.903566   1.984564
  H  -0.723789   0.091731   1.687748
  H  -1.853235   1.210529  -1.325352
  H  -3.708919   0.197010  -2.617324
  H  -4.352718  -2.184595  -2.237404
  H  -3.115947  -3.534873  -0.537443
  H  -1.258132  -2.518429   0.748283
  H   1.197775   0.900721  -1.485938
  H   1.772267   3.230633  -2.100240
  H   1.008285   5.131359  -0.674224
  H  -0.352469   4.669443   1.367345
  H  -0.950658   2.334134   1.961663
  H   0.874268  -1.601654  -1.255834
  H   2.964207  -2.922150  -1.049277
  H   4.205034  -2.979777   1.114669
  H   3.338262  -1.685459   3.066335
  H   1.269545  -0.332782   2.841622
 35
 Energy -732.89521773    Point 33   Kin_en 0.527
  C  -0.302829   0.024942   0.668742
  C  -1.417646  -0.578533  -0.194407
  C   0.074911   1.454719   0.284268
  C   0.939580  -0.860923   0.769296
  C  -2.094046   0.156630  -1.175567
  C  -3.141373  -0.416483  -1.905079
  C  -3.530073  -1.734202  -1.664860
  C  -2.865062  -2.476818  -0.683975
  C  -1.822756  -1.903465   0.043128
  C   0.876653   1.729562  -0.833790
  C   1.198128   3.043484  -1.176629
  C   0.731341   4.108831  -0.401288
  C  -0.061569   3.848159   0.717612
  C  -0.387483   2.531218   1.052951
  C   1.412394  -1.614250  -0.314917
  C   2.582046  -2.370064  -0.202441
  C   3.293755  -2.393264   0.999137
  C   2.826584  -1.654548   2.089128
  C   1.661551  -0.895215   1.971185
  H  -0.716222   0.087609   1.693723
  H  -1.801606   1.190888  -1.371151
  H  -3.654925   0.176775  -2.666685
  H  -4.347498  -2.182287  -2.235980
  H  -3.161381  -3.510058  -0.483106
  H  -1.304755  -2.493609   0.804978
  H   1.263145   0.903195  -1.436153
  H   1.824516   3.236703  -2.051775
  H   0.989460   5.137505  -0.666325
  H  -0.429036   4.672508   1.334820
  H  -1.014336   2.333707   1.928657
  H   0.846523  -1.624729  -1.250713
  H   2.934923  -2.951014  -1.058999
  H   4.205478  -2.989789   1.088055
  H   3.370662  -1.671229   3.037383
  H   1.303603  -0.313550   2.826918
 35
 Energy -732.89537511    Point 34   Kin_en 0.526
  C  -0.298240   0.024719   0.673232
  C  -1.415598  -0.575945  -0.188410
  C   0.076315   1.455983   0.291486
  C   0.943004  -0.863584   0.765425
  C  -2.062508   0.145217  -1.199168
  C  -3.108579  -0.428159  -1.930528
  C  -3.525232  -1.731760  -1.662266
  C  -2.889446  -2.460371  -0.651709
  C  -1.848397  -1.886858   0.076818
  C   0.908835   1.733408  -0.802975
  C   1.222687   3.049290  -1.146173
  C   0.717059   4.113662  -0.394484
  C  -0.106697   3.850292   0.701469
  C  -0.424549   2.531652   1.037133
  C   1.398596  -1.628880  -0.317545
  C   2.567107  -2.387867  -0.213233
  C   3.294632  -2.401851   0.978850
  C   2.844767  -1.650562   2.067669
  C   1.680966  -0.888321   1.957908
  H  -0.708132   0.083724   1.699786
  H  -1.748247   1.168698  -1.416480
  H  -3.599167   0.153928  -2.715540
  H  -4.341911  -2.179831  -2.234470
  H  -3.207947  -3.482449  -0.428839
  H  -1.352721  -2.466001   0.861807
  H   1.325839   0.907611  -1.385523
  H   1.873630   3.244675  -2.002726
  H   0.969086   5.143860  -0.659500
  H  -0.504379   4.674064   1.300443
  H  -1.075449   2.331806   1.894591
  H   0.820454  -1.645246  -1.245731
  H   2.906579  -2.978319  -1.068719
  H   4.205357  -3.000792   1.061539
  H   3.401593  -1.659790   3.008600
  H   1.336626  -0.296707   2.812417
 35
 Energy -732.89552757    Point 35   Kin_en 0.525
  C  -0.293787   0.024713   0.677762
  C  -1.413690  -0.573342  -0.182155
  C   0.077359   1.457447   0.298509
  C   0.946346  -0.865970   0.761475
  C  -2.030013   0.131868  -1.222579
  C  -3.074709  -0.442012  -1.955679
  C  -3.520013  -1.729956  -1.659404
  C  -2.914372  -2.442585  -0.619295
  C  -1.874744  -1.868601   0.110712
  C   0.939553   1.738096  -0.771700
  C   1.246167   3.055869  -1.115093
  C   0.703273   4.118529  -0.387629
  C  -0.150243   3.851828   0.684708
  C  -0.460507   2.531630   1.020536
  C   1.385370  -1.642095  -0.320521
  C   2.552631  -2.404334  -0.224417
  C   3.295180  -2.410434   0.958370
  C   2.861950  -1.647799   2.046190
  C   1.699528  -0.882448   1.944653
  H  -0.700077   0.080024   1.705905
  H  -1.693416   1.143389  -1.461393
  H  -3.541694   0.127435  -2.763998
  H  -4.335882  -2.178220  -2.232602
  H  -3.255748  -3.452161  -0.374464
  H  -1.402244  -2.435157   0.918967
  H   1.385767   0.913524  -1.334040
  H   1.920884   3.253881  -1.952428
  H   0.949630   5.150161  -0.652406
  H  -0.576695   4.674468   1.265190
  H  -1.134697   2.329011   1.859148
  H   0.795663  -1.663420  -1.241284
  H   2.879187  -3.003325  -1.078990
  H   4.204793  -3.011905   1.034844
  H   3.430870  -1.650682   2.979905
  H   1.368238  -0.281841   2.798031
 35
 Energy -732.89567183    Point 36   Kin_en 0.525
  C  -0.289302   0.024835   0.682268
  C  -1.411620  -0.570784  -0.175899
  C   0.078188   1.459105   0.305551
  C   0.949711  -0.868160   0.757468
  C  -1.996306   0.116420  -1.246060
  C  -3.039390  -0.458234  -1.981005
  C  -3.514448  -1.728597  -1.656596
  C  -2.940182  -2.423188  -0.586748
  C  -1.902071  -1.848522   0.144737
  C   0.968135   1.743765  -0.740392
  C   1.267831   3.063333  -1.083872
  C   0.689704   4.123460  -0.380588
  C  -0.191882   3.852676   0.667996
  C  -0.494679   2.531001   1.003985
  C   1.372505  -1.654390  -0.323481
  C   2.538313  -2.420010  -0.235634
  C   3.295384  -2.419024   0.937812
  C   2.878470  -1.645743   2.024613
  C   1.717588  -0.877154   1.931322
  H  -0.692074   0.076292   1.711949
  H  -1.636515   1.114577  -1.506503
  H  -3.481855   0.096919  -2.812736
  H  -4.329391  -2.177174  -2.230872
  H  -3.305217  -3.418800  -0.319839
  H  -1.453773  -2.400892   0.976415
  H   1.441416   0.921063  -1.283055
  H   1.964663   3.264556  -1.902133
  H   0.930356   5.156478  -0.645227
  H  -0.645998   4.673534   1.229701
  H  -1.190712   2.325063   1.823730
  H   0.771424  -1.679927  -1.236742
  H   2.852237  -3.027029  -1.089282
  H   4.203780  -3.023093   1.008009
  H   3.459136  -1.642857   2.951078
  H   1.399099  -0.268108   2.783600
 35
 Energy -732.89580057    Point 37   Kin_en 0.525
  C  -0.284898   0.024910   0.686821
  C  -1.409658  -0.568227  -0.169472
  C   0.078862   1.460785   0.312372
  C   0.953119  -0.870106   0.753353
  C  -1.961454   0.098890  -1.269276
  C  -3.002804  -0.476555  -2.006087
  C  -3.508699  -1.727490  -1.653780
  C  -2.967129  -2.401861  -0.554354
  C  -1.930586  -1.826429   0.178664
  C   0.994845   1.750097  -0.709315
  C   1.287623   3.071501  -1.052711
  C   0.676114   4.128357  -0.373492
  C  -0.231767   3.852783   0.651372
  C  -0.527312   2.529689   0.987316
  C   1.360407  -1.665772  -0.326672
  C   2.524766  -2.434675  -0.246916
  C   3.295720  -2.427454   0.917394
  C   2.894371  -1.644474   2.003203
  C   1.734982  -0.872781   1.918021
  H  -0.683797   0.072604   1.718133
  H  -1.577689   1.082249  -1.551013
  H  -3.419760   0.062681  -2.861133
  H  -4.322636  -2.176426  -2.229195
  H  -3.356790  -3.381882  -0.265532
  H  -1.507624  -2.362970   1.033747
  H   1.493974   0.929921  -1.232314
  H   2.005304   3.276488  -1.851788
  H   0.911221   5.162746  -0.637780
  H  -0.711778   4.671323   1.194650
  H  -1.243909   2.319859   1.788154
  H   0.749123  -1.695042  -1.232985
  H   2.826535  -3.048997  -1.099719
  H   4.202896  -3.034056   0.981432
  H   3.486123  -1.636524   2.922594
  H   1.428799  -0.256143   2.769351
 35
 Energy -732.89593493    Point 38   Kin_en 0.525
  C  -0.280393   0.024823   0.691155
  C  -1.407872  -0.565724  -0.162865
  C   0.079421   1.462315   0.318992
  C   0.956562  -0.872316   0.748975
  C  -1.926530   0.079870  -1.291246
  C  -2.965891  -0.496491  -2.030130
  C  -3.503070  -1.726376  -1.650855
  C  -2.994665  -2.378971  -0.522762
  C  -1.959591  -1.802875   0.211801
  C   1.020694   1.756943  -0.677621
  C   1.306847   3.080109  -1.020800
  C   0.662908   4.133043  -0.366306
  C  -0.270664   3.852081   0.633995
  C  -0.559141   2.527621   0.969782
  C   1.348849  -1.676471  -0.329941
  C   2.511745  -2.448553  -0.258128
  C   3.296058  -2.435479   0.897034
  C   2.909827  -1.643320   1.981801
  C   1.751962  -0.868649   1.904584
  H  -0.675196   0.068800   1.724163
  H  -1.518386   1.047227  -1.593610
  H  -3.356975   0.025524  -2.907788
  H  -4.315903  -2.175697  -2.227534
  H  -3.409229  -3.342189  -0.212816
  H  -1.562048  -2.322489   1.089359
  H   1.544500   0.939803  -1.180898
  H   2.044646   3.289314  -1.800241
  H   0.892514   5.168745  -0.630295
  H  -0.776210   4.667750   1.158080
  H  -1.295498   2.313485   1.751311
  H   0.727414  -1.709478  -1.229167
  H   2.801794  -3.069796  -1.109989
  H   4.202028  -3.044494   0.954967
  H   3.512398  -1.630564   2.894097
  H   1.457531  -0.244780   2.754793
 35
 Energy -732.89604917    Point 39   Kin_en 0.524
  C  -0.275943   0.024569   0.695092
  C  -1.406072  -0.563410  -0.156529
  C   0.079739   1.463689   0.325081
  C   0.960190  -0.874263   0.744278
  C  -1.891267   0.059014  -1.312473
  C  -2.928930  -0.518092  -2.053052
  C  -3.497832  -1.725298  -1.647740
  C  -3.023022  -2.354353  -0.492041
  C  -1.989266  -1.777610   0.243954
  C   1.045221   1.764274  -0.646016
  C   1.325095   3.089283  -0.988304
  C   0.650142   4.137596  -0.358467
  C  -0.308197   3.850509   0.616619
  C  -0.589948   2.524669   0.951664
  C   1.337891  -1.687059  -0.333224
  C   2.499368  -2.462117  -0.268963
  C   3.296668  -2.443147   0.877150
  C   2.925104  -1.641917   1.960467
  C   1.768710  -0.864448   1.890820
  H  -0.666354   0.064850   1.729863
  H  -1.458396   1.009116  -1.634721
  H  -3.293950  -0.014525  -2.952445
  H  -4.309705  -2.174888  -2.225550
  H  -3.463000  -3.299288  -0.161610
  H  -1.617867  -2.278694   1.143527
  H   1.592641   0.950721  -1.129596
  H   2.082270   3.303307  -1.747603
  H   0.874605   5.174645  -0.621600
  H  -0.838109   4.662789   1.121578
  H  -1.345897   2.305549   1.712857
  H   0.706778  -1.723641  -1.225506
  H   2.777984  -3.090182  -1.119631
  H   4.201443  -3.054474   0.929322
  H   3.538093  -1.624352   2.865714
  H   1.485760  -0.233449   2.739678
 35
 Energy -732.89614368    Point 40   Kin_en 0.522
  C  -0.271489   0.024111   0.698748
  C  -1.404185  -0.561628  -0.150380
  C   0.079723   1.464966   0.330623
  C   0.964062  -0.875997   0.739491
  C  -1.855467   0.035936  -1.333002
  C  -2.891681  -0.541590  -2.075093
  C  -3.493305  -1.723992  -1.644338
  C  -3.052573  -2.327807  -0.462021
  C  -2.019674  -1.750858   0.275167
  C   1.068113   1.772084  -0.614727
  C   1.342086   3.098927  -0.955705
  C   0.637809   4.142045  -0.350240
  C  -0.344101   3.848268   0.599365
  C  -0.619527   2.521034   0.933175
  C   1.328102  -1.696540  -0.336648
  C   2.488043  -2.474588  -0.279713
  C   3.297536  -2.450480   0.857595
  C   2.939869  -1.640957   1.939520
  C   1.784923  -0.860801   1.877269
  H  -0.657629   0.060780   1.735216
  H  -1.397322   0.967369  -1.674499
  H  -3.230246  -0.057832  -2.995473
  H  -4.304542  -2.173554  -2.223068
  H  -3.518663  -3.252832  -0.111621
  H  -1.674809  -2.232253   1.195921
  H   1.637773   0.962578  -1.079014
  H   2.117514   3.318216  -1.694819
  H   0.857382   5.180423  -0.612260
  H  -0.897315   4.656655   1.085188
  H  -1.393718   2.296540   1.674185
  H   0.688148  -1.736056  -1.222448
  H   2.755807  -3.108873  -1.129254
  H   4.201104  -3.064043   0.904156
  H   3.562707  -1.619059   2.837941
  H   1.512817  -0.223442   2.724918
 35
 Energy -732.89623925    Point 41   Kin_en 0.518
  C  -0.267170   0.023046   0.702506
  C  -1.402338  -0.559730  -0.144602
  C   0.079794   1.465752   0.336726
  C   0.967837  -0.878211   0.734886
  C  -1.819082   0.011174  -1.352905
  C  -2.853977  -0.566592  -2.096415
  C  -3.489103  -1.722184  -1.641210
  C  -3.083241  -2.298792  -0.433230
  C  -2.051026  -1.721839   0.305116
  C   1.088908   1.779676  -0.583949
  C   1.356807   3.108250  -0.923991
  C   0.625130   4.145878  -0.342454
  C  -0.378103   3.845150   0.582611
  C  -0.647035   2.516638   0.915734
  C   1.319061  -1.705851  -0.339958
  C   2.478010  -2.486002  -0.290302
  C   3.299345  -2.456616   0.838315
  C   2.954562  -1.639718   1.918952
  C   1.800557  -0.857708   1.864052
  H  -0.649321   0.055793   1.740519
  H  -1.334881   0.922310  -1.712910
  H  -3.165530  -0.104115  -3.037042
  H  -4.299749  -2.171531  -2.220923
  H  -3.576095  -3.202208  -0.063646
  H  -1.733412  -2.181858   1.246402
  H   1.679283   0.974468  -1.029425
  H   2.148873   3.332923  -1.643597
  H   0.839611   5.185518  -0.603696
  H  -0.952930   4.649446   1.049815
  H  -1.437959   2.286719   1.637140
  H   0.670057  -1.749096  -1.218927
  H   2.735564  -3.126014  -1.138702
  H   4.202127  -3.071743   0.879297
  H   3.586804  -1.613577   2.810664
  H   1.538568  -0.214703   2.710636
 35
 Energy -732.89631194    Point 42   Kin_en 0.521
  C  -0.262953   0.021453   0.706069
  C  -1.400634  -0.558283  -0.138884
  C   0.079526   1.466017   0.342457
  C   0.971797  -0.880548   0.730124
  C  -1.782287  -0.015619  -1.371753
  C  -2.816078  -0.593082  -2.116689
  C  -3.485690  -1.719634  -1.638150
  C  -3.115405  -2.267302  -0.405663
  C  -2.083542  -1.690929   0.333897
  C   1.108578   1.787165  -0.553013
  C   1.370644   3.117461  -0.891816
  C   0.612717   4.149146  -0.334233
  C  -0.411012   3.841033   0.565892
  C  -0.673748   2.511255   0.897907
  C   1.310769  -1.715161  -0.343062
  C   2.469030  -2.496869  -0.300518
  C   3.302051  -2.461760   0.819206
  C   2.969609  -1.637639   1.898312
  C   1.816183  -0.854396   1.850604
  H  -0.640908   0.050408   1.745680
  H  -1.271576   0.873745  -1.749445
  H  -3.100099  -0.153243  -3.076687
  H  -4.295921  -2.168361  -2.218920
  H  -3.635804  -3.147285  -0.017767
  H  -1.793600  -2.128248   1.294795
  H   1.718723   0.986612  -0.979838
  H   2.178529   3.347895  -1.591753
  H   0.822257   5.190022  -0.594560
  H  -1.006746   4.640819   1.014255
  H  -1.480619   2.275459   1.599487
  H   0.653195  -1.762246  -1.215368
  H   2.716800  -3.142476  -1.147590
  H   4.204361  -3.077925   0.854645
  H   3.611167  -1.606857   2.783206
  H   1.563847  -0.205813   2.695860
 35
 Energy -732.89637265    Point 43   Kin_en 0.519
  C  -0.258241   0.019150   0.709061
  C  -1.398635  -0.557503  -0.133537
  C   0.079416   1.465675   0.347398
  C   0.976477  -0.883124   0.725185
  C  -1.747281  -0.042527  -1.388080
  C  -2.780834  -0.618721  -2.134024
  C  -3.484208  -1.715362  -1.634351
  C  -3.147724  -2.234279  -0.380095
  C  -2.115018  -1.659792   0.360137
  C   1.128933   1.794945  -0.520609
  C   1.385128   3.127077  -0.857670
  C   0.600246   4.152016  -0.325995
  C  -0.444773   3.835602   0.546640
  C  -0.701289   2.504436   0.877063
  C   1.303843  -1.724757  -0.346010
  C   2.461475  -2.507845  -0.310022
  C   3.305726  -2.466662   0.800984
  C   2.985056  -1.635229   1.878111
  C   1.832061  -0.851044   1.837118
  H  -0.631947   0.044482   1.750276
  H  -1.210577   0.824444  -1.781740
  H  -3.038797  -0.201207  -3.111202
  H  -4.294821  -2.162552  -2.215765
  H  -3.695120  -3.090056   0.024427
  H  -1.851575  -2.074575   1.338530
  H   1.759408   0.999701  -0.927234
  H   2.209408   3.363949  -1.536018
  H   0.804876   5.194211  -0.584950
  H  -1.062002   4.630261   0.974590
  H  -1.524935   2.262055   1.556531
  H   0.638047  -1.776005  -1.211775
  H   2.699853  -3.159133  -1.155435
  H   4.207630  -3.083707   0.831352
  H   3.635553  -1.599505   2.756268
  H   1.589058  -0.196879   2.680804
