 17
 Energy -309.64799909    Point 1
  C   1.305143  -1.291922  -0.039294
  C   1.806020  -0.029924  -0.398203
  C   1.307682   1.242570  -0.077889
  C   0.084825   1.588877   0.502362
  C  -1.151773   0.949080   0.392775
  C  -1.167496  -0.988340   0.365160
  C   0.065655  -1.632162   0.505556
  C  -1.494416  -0.004260  -0.699145
  H   2.038771  -2.101703  -0.071169
  H   2.824194  -0.036725  -0.793691
  H   2.037162   2.053289  -0.151702
  H   0.072932   2.522276   1.074076
  H  -1.964207   1.279724   1.041544
  H  -1.992133  -1.325715   0.995314
  H   0.034821  -2.563413   1.079560
  H  -0.807557   0.007683  -1.548314
  H  -2.550307   0.007479  -0.978149
 17
 Energy -309.64654027    Point 2   Kin_en 0.275316
  C   1.240732  -1.271821  -0.074562
  C   1.750138  -0.011115  -0.429764
  C   1.220301   1.265355  -0.186730
  C   0.000836   1.594439   0.403284
  C  -1.224173   0.909650   0.373066
  C  -1.250688  -0.928588   0.282518
  C  -0.021280  -1.605816   0.404254
  C  -1.619275   0.040177  -0.777019
  H   1.974666  -2.081127  -0.064534
  H   2.786155  -0.016799  -0.776530
  H   1.926764   2.090884  -0.300494
  H  -0.026582   2.549804   0.938030
  H  -2.011933   1.229441   1.055527
  H  -2.069114  -1.283301   0.910898
  H  -0.086612  -2.554052   0.946912
  H  -0.957823   0.092249  -1.642725
  H  -2.685620   0.064811  -1.008102
 17
 Energy -309.64383266    Point 3   Kin_en 1.07948
  C   1.255252  -1.276025  -0.041228
  C   1.766538  -0.012479  -0.388281
  C   1.207871   1.265136  -0.229531
  C  -0.006159   1.588073   0.368628
  C  -1.207995   0.852416   0.430321
  C  -1.246430  -0.893793   0.269078
  C  -0.024350  -1.609448   0.371718
  C  -1.641109   0.070623  -0.780525
  H   1.989986  -2.082939  -0.001929
  H   2.817221  -0.012345  -0.688895
  H   1.890674   2.099935  -0.399387
  H  -0.058178   2.576897   0.837359
  H  -1.978262   1.172858   1.131125
  H  -2.067476  -1.274007   0.878541
  H  -0.123093  -2.577621   0.872344
  H  -0.992402   0.172412  -1.649521
  H  -2.712239   0.109343  -0.981770
 17
 Energy -309.63957142    Point 4   Kin_en 2.33427
  C   1.262383  -1.283182  -0.018108
  C   1.774047  -0.012666  -0.348699
  C   1.189941   1.260320  -0.265579
  C  -0.023770   1.584882   0.328210
  C  -1.188119   0.798106   0.496042
  C  -1.240435  -0.859323   0.262814
  C  -0.027185  -1.616005   0.344153
  C  -1.636538   0.102462  -0.783318
  H   1.996281  -2.089687   0.030092
  H   2.834403  -0.004321  -0.614465
  H   1.846479   2.099379  -0.500660
  H  -0.120237   2.613681   0.692134
  H  -1.953686   1.134692   1.193623
  H  -2.073620  -1.266643   0.836991
  H  -0.155357  -2.604483   0.795681
  H  -0.981380   0.253491  -1.638311
  H  -2.706496   0.166394  -0.979810
 17
 Energy -309.63303000    Point 5   Kin_en 3.92924
  C   1.262892  -1.290834  -0.006980
  C   1.777655  -0.010240  -0.318883
  C   1.173206   1.251127  -0.286910
  C  -0.054767   1.577809   0.280482
  C  -1.167570   0.752086   0.568745
  C  -1.236885  -0.824474   0.267181
  C  -0.029045  -1.622594   0.323724
  C  -1.608657   0.130960  -0.788441
  H   1.995080  -2.098892   0.033121
  H   2.841828   0.004306  -0.569554
  H   1.801920   2.092583  -0.579452
  H  -0.212084   2.636280   0.513866
  H  -1.944856   1.122317   1.235187
  H  -2.088351  -1.255974   0.795013
  H  -0.181461  -2.628974   0.724499
  H  -0.932097   0.311495  -1.618963
  H  -2.671057   0.247415  -0.997112
 17
 Energy -309.62388424    Point 6   Kin_en 5.81243
  C   1.259646  -1.297704  -0.003744
  C   1.780568  -0.005155  -0.299882
  C   1.160779   1.239613  -0.296278
  C  -0.097174   1.562084   0.225799
  C  -1.150323   0.718271   0.641833
  C  -1.235790  -0.793052   0.280916
  C  -0.029113  -1.629474   0.309107
  C  -1.566737   0.160099  -0.793794
  H   1.990671  -2.107182   0.021654
  H   2.845289   0.013283  -0.547574
  H   1.765226   2.086634  -0.620860
  H  -0.315408   2.629691   0.332765
  H  -1.950188   1.127477   1.256751
  H  -2.107374  -1.244005   0.757268
  H  -0.201698  -2.649887   0.661728
  H  -0.863548   0.331394  -1.603516
  H  -2.613905   0.352188  -1.019749
 17
 Energy -309.61294883    Point 7   Kin_en 7.98471
  C   1.254799  -1.303854  -0.004733
  C   1.783194   0.001332  -0.288820
  C   1.152009   1.227462  -0.299758
  C  -0.147207   1.537124   0.165867
  C  -1.138878   0.693982   0.707835
  C  -1.234062  -0.767689   0.301721
  C  -0.028243  -1.636641   0.298192
  C  -1.517049   0.197414  -0.794896
  H   1.985253  -2.114070   0.005893
  H   2.848390   0.023460  -0.532307
  H   1.739066   2.086809  -0.623593
  H  -0.414957   2.598439   0.172217
  H  -1.964085   1.134600   1.265776
  H  -2.125126  -1.233934   0.724245
  H  -0.218710  -2.666933   0.607727
  H  -0.790973   0.310911  -1.595520
  H  -2.542005   0.466425  -1.041373
 17
 Energy -309.60184856    Point 8   Kin_en 10.425
  C   1.249687  -1.309449  -0.007815
  C   1.785339   0.007833  -0.283458
  C   1.146675   1.215716  -0.300617
  C  -0.202259   1.505636   0.103091
  C  -1.133441   0.674684   0.761539
  C  -1.229807  -0.749529   0.329504
  C  -0.027185  -1.644229   0.289186
  C  -1.463675   0.248184  -0.791096
  H   1.979663  -2.120080  -0.010749
  H   2.852538   0.033872  -0.514669
  H   1.722635   2.093856  -0.592620
  H  -0.501911   2.556422   0.048785
  H  -1.982402   1.132384   1.269847
  H  -2.137317  -1.228105   0.699825
  H  -0.233863  -2.680887   0.561490
  H  -0.727095   0.246611  -1.592442
  H  -2.464572   0.575013  -1.064131
 17
 Energy -309.59297243    Point 9   Kin_en 13.0078
  C   1.245370  -1.313877  -0.011736
  C   1.786992   0.012816  -0.281381
  C   1.144640   1.205750  -0.298944
  C  -0.256520   1.474437   0.041866
  C  -1.134191   0.654128   0.797100
  C  -1.220401  -0.743015   0.369024
  C  -0.026613  -1.652212   0.280846
  C  -1.412967   0.317931  -0.789241
  H   1.974247  -2.125378  -0.027837
  H   2.857096   0.041795  -0.495126
  H   1.715380   2.102449  -0.540588
  H  -0.566372   2.520437  -0.023008
  H  -2.002480   1.113741   1.272807
  H  -2.142134  -1.230737   0.688786
  H  -0.247102  -2.693722   0.518307
  H  -0.693797   0.129588  -1.585536
  H  -2.398789   0.666238  -1.088201
 17
 Energy -309.58929233    Point 10   Kin_en 15.5859
  C   1.242881  -1.315745  -0.015888
  C   1.788237   0.014792  -0.279610
  C   1.143494   1.198899  -0.293173
  C  -0.300177   1.450828  -0.013784
  C  -1.141611   0.628979   0.812506
  C  -1.203587  -0.753319   0.423164
  C  -0.028259  -1.659906   0.273497
  C  -1.371005   0.403571  -0.798923
  H   1.969539  -2.129132  -0.046166
  H   2.860885   0.045526  -0.477167
  H   1.715804   2.106966  -0.484190
  H  -0.603332   2.498728  -0.047651
  H  -2.019923   1.081322   1.278401
  H  -2.138450  -1.246652   0.694823
  H  -0.257526  -2.707476   0.470077
  H  -0.718843  -0.015514  -1.564391
  H  -2.355716   0.746080  -1.107133
 17
 Energy -309.58929233    Point 11   Kin_en 15.5852
  C   1.242886  -1.315741  -0.015866      2.000
  C   1.788233   0.014791  -0.279633      1.000
  C   1.143490   1.198898  -0.293189      7.000
  C  -0.300167   1.450824  -0.013752      6.000
  C  -1.141614   0.628973   0.812507      5.000
  C  -1.203601  -0.753325   0.423133      4.000
  C  -0.028254  -1.659904   0.273513      3.000
  C  -1.371004   0.403574  -0.798924      8.000
  H   1.969554  -2.129121  -0.046098     10.000
  H   2.860873   0.045521  -0.477235      9.000
  H   1.715786   2.106961  -0.484263     15.000
  H  -0.603318   2.498726  -0.047603     14.000
  H  -2.019922   1.081326   1.278400     13.000
  H  -2.138468  -1.246659   0.694777     12.000
  H  -0.257506  -2.707467   0.470150     11.000
  H  -0.718810  -0.015435  -1.564407     16.000
  H  -2.355712   0.746089  -1.107135     17.000
 17
 Energy -309.59297243    Point 12   Kin_en 18.0331
  C   1.242897  -1.314328  -0.020705      2.000
  C   1.789164   0.013334  -0.275812      1.000
  C   1.140448   1.195339  -0.282718      7.000
  C  -0.326419   1.437821  -0.061249      6.000
  C  -1.154861   0.601507   0.808781      5.000
  C  -1.180464  -0.780646   0.488484      4.000
  C  -0.032935  -1.667411   0.268440      3.000
  C  -1.342237   0.492701  -0.822254      8.000
  H   1.966600  -2.130186  -0.068434     10.000
  H   2.863931   0.046057  -0.459817      9.000
  H   1.720509   2.106995  -0.431585     15.000
  H  -0.617275   2.488940  -0.045028     14.000
  H  -2.029214   1.045021   1.288644     13.000
  H  -2.122978  -1.278540   0.729526     12.000
  H  -0.262479  -2.723219   0.412603     11.000
  H  -0.803002  -0.132616  -1.532864     16.000
  H  -2.330563   0.835713  -1.119064     17.000
 17
 Energy -309.60184856    Point 13   Kin_en 20.1709
  C   1.244870  -1.310482  -0.027931      2.000
  C   1.789909   0.009657  -0.269384      1.000
  C   1.135800   1.194069  -0.268359      7.000
  C  -0.334147   1.435842  -0.097438      6.000
  C  -1.173415   0.573468   0.783621      5.000
  C  -1.154398  -0.819695   0.560306      4.000
  C  -0.038495  -1.676690   0.265386      3.000
  C  -1.331420   0.574853  -0.852431      8.000
  H   1.966172  -2.127922  -0.095507     10.000
  H   2.866725   0.045925  -0.440113      9.000
  H   1.727250   2.104912  -0.378251     15.000
  H  -0.614184   2.487614  -0.026001     14.000
  H  -2.028334   1.014208   1.296906     13.000
  H  -2.091450  -1.324999   0.812283     12.000
  H  -0.258471  -2.740607   0.353794     11.000
  H  -0.906812  -0.184665  -1.506302     16.000
  H  -2.312442   0.951497  -1.133310     17.000
 17
 Energy -309.61294883    Point 14   Kin_en 22.0636
  C   1.247269  -1.306127  -0.039398      2.000
  C   1.790565   0.004932  -0.261596      1.000
  C   1.131249   1.194006  -0.250868      7.000
  C  -0.328690   1.442173  -0.124060      6.000
  C  -1.198754   0.543625   0.739694      5.000
  C  -1.128298  -0.860412   0.631320      4.000
  C  -0.042596  -1.688938   0.263280      3.000
  C  -1.334904   0.646931  -0.878510      8.000
  H   1.968365  -2.123143  -0.122614     10.000
  H   2.869475   0.045858  -0.417812      9.000
  H   1.735042   2.102115  -0.316920     15.000
  H  -0.598531   2.490984   0.006660     14.000
  H  -2.019057   0.992993   1.297888     13.000
  H  -2.041641  -1.376168   0.944244     12.000
  H  -0.245994  -2.758616   0.312276     11.000
  H  -0.994957  -0.178165  -1.498768     16.000
  H  -2.290150   1.087645  -1.155872     17.000
 17
 Energy -309.62388424    Point 15   Kin_en 23.9004
  C   1.248432  -1.303306  -0.056452      2.000
  C   1.790528  -0.000751  -0.254493      1.000
  C   1.127660   1.194596  -0.230009      7.000
  C  -0.315209   1.454174  -0.145069      6.000
  C  -1.233696   0.510691   0.684319      5.000
  C  -1.102532  -0.895333   0.695224      4.000
  C  -0.044565  -1.703183   0.262696      3.000
  C  -1.343486   0.710295  -0.894948      8.000
  H   1.971322  -2.118437  -0.147637     10.000
  H   2.871602   0.044776  -0.394154      9.000
  H   1.743417   2.097928  -0.244253     15.000
  H  -0.574593   2.495901   0.048455     14.000
  H  -2.007983   0.978647   1.290006     13.000
  H  -1.971805  -1.418836   1.106515     12.000
  H  -0.227212  -2.777027   0.303356     11.000
  H  -1.059291  -0.137077  -1.511923     16.000
  H  -2.259202   1.224879  -1.179875     17.000
 17
 Energy -309.63303000    Point 16   Kin_en 25.7109
  C   1.247043  -1.303943  -0.080420      2.000
  C   1.788370  -0.007740  -0.250736      1.000
  C   1.125848   1.195379  -0.204906      7.000
  C  -0.295563   1.472352  -0.160780      6.000
  C  -1.280075   0.474050   0.623705      5.000
  C  -1.077532  -0.921087   0.749448      4.000
  C  -0.043411  -1.717765   0.267295      3.000
  C  -1.350805   0.765150  -0.903569      8.000
  H   1.971752  -2.116781  -0.178409     10.000
  H   2.871563   0.041010  -0.373141      9.000
  H   1.753148   2.090464  -0.160514     15.000
  H  -0.547148   2.502470   0.094866     14.000
  H  -2.006163   0.965387   1.269286     13.000
  H  -1.881451  -1.442772   1.279672     12.000
  H  -0.201075  -2.794666   0.333163     11.000
  H  -1.093599  -0.073375  -1.544517     16.000
  H  -2.222915   1.347445  -1.197094     17.000
 17
 Energy -309.63957142    Point 17   Kin_en 27.4541
  C   1.241300  -1.309721  -0.113132      2.000
  C   1.781949  -0.016295  -0.254728      1.000
  C   1.126868   1.195926  -0.174870      7.000
  C  -0.273176   1.497600  -0.169568      6.000
  C  -1.336589   0.433468   0.565945      5.000
  C  -1.056578  -0.935011   0.793432      4.000
  C  -0.037115  -1.730016   0.283841      3.000
  C  -1.347925   0.810300  -0.910413      8.000
  H   1.965060  -2.120632  -0.229976     10.000
  H   2.866678   0.032329  -0.365986      9.000
  H   1.766586   2.077281  -0.068234     15.000
  H  -0.521860   2.512327   0.143915     14.000
  H  -2.028404   0.946158   1.232685     13.000
  H  -1.781537  -1.440509   1.440797     12.000
  H  -0.166921  -2.806931   0.401016     11.000
  H  -1.088351   0.001385  -1.589628     16.000
  H  -2.186856   1.438553  -1.208744     17.000
 17
 Energy -309.64383266    Point 18   Kin_en 28.9952
  C   1.228733  -1.318406  -0.153613      2.000
  C   1.769563  -0.025323  -0.271297      1.000
  C   1.130396   1.196613  -0.139330      7.000
  C  -0.250079   1.527586  -0.169697      6.000
  C  -1.396816   0.391413   0.516469      5.000
  C  -1.044476  -0.938150   0.828760      4.000
  C  -0.026693  -1.735618   0.314839      3.000
  C  -1.325563   0.841275  -0.917924      8.000
  H   1.945604  -2.128589  -0.308535     10.000
  H   2.854388   0.018815  -0.388334      9.000
  H   1.784857   2.057608   0.028315     15.000
  H  -0.503064   2.525895   0.190167     14.000
  H  -2.081169   0.917669   1.181177     13.000
  H  -1.699325  -1.417128   1.564927     12.000
  H  -0.128672  -2.808218   0.491160     11.000
  H  -1.038582   0.067372  -1.628593     16.000
  H  -2.146892   1.488251  -1.228020     17.000
 17
 Energy -309.64654027    Point 19   Kin_en 30.313
  C   1.207752  -1.323185  -0.195750      2.000
  C   1.752746  -0.031916  -0.298942      1.000
  C   1.137693   1.199222  -0.100198      7.000
  C  -0.223044   1.558799  -0.163430      6.000
  C  -1.455086   0.349546   0.475167      5.000
  C  -1.044148  -0.936793   0.858514      4.000
  C  -0.018066  -1.732500   0.351057      3.000
  C  -1.283979   0.854105  -0.921589      8.000
  H   1.910602  -2.134602  -0.398767     10.000
  H   2.835411   0.003107  -0.441584      9.000
  H   1.809488   2.034266   0.121818     15.000
  H  -0.487561   2.543521   0.224973     14.000
  H  -2.154086   0.882395   1.120191     13.000
  H  -1.653351  -1.391508   1.646889     12.000
  H  -0.093078  -2.798789   0.576740     11.000
  H  -0.953576   0.106978  -1.644302     16.000
  H  -2.093389   1.501459  -1.263473     17.000
 17
 Energy -309.64799909    Point 20   Kin_en 31.6635
  C   1.178582  -1.319730  -0.235245      2.000
  C   1.735667  -0.033869  -0.327725      1.000
  C   1.152555   1.206621  -0.062923      7.000
  C  -0.188662   1.590192  -0.157212      6.000
  C  -1.510637   0.306073   0.441144      5.000
  C  -1.056257  -0.937922   0.884471      4.000
  C  -0.015710  -1.723280   0.382004      3.000
  C  -1.230901   0.851591  -0.916320      8.000
  H   1.861445  -2.134047  -0.487670     10.000
  H   2.813889  -0.013775  -0.506624      9.000
  H   1.843151   2.012768   0.203276     15.000
  H  -0.467311   2.567702   0.239991     14.000
  H  -2.239151   0.838820   1.054107     13.000
  H  -1.638793  -1.378785   1.699654     12.000
  H  -0.063509  -2.784458   0.639824     11.000
  H  -0.852824   0.119905  -1.633744     16.000
  H  -2.026520   1.490133  -1.306371     17.000
 17
 Energy -309.64799909    Point 21   Kin_en 31.6115
  C   1.177091  -1.321034  -0.235388      2.000
  C   1.727225  -0.035956  -0.362309      3.000
  C   1.153727   1.201312  -0.058557      4.000
  C  -0.186866   1.587518  -0.123214      5.000
  C  -1.526570   0.294891   0.414294      6.000
  C  -1.062678  -0.938181   0.882501      7.000
  C  -0.003408  -1.717487   0.413904      1.000
  C  -1.216476   0.866099  -0.921969      8.000
  H   1.857669  -2.137416  -0.487319     10.000
  H   2.797788  -0.014463  -0.582054     11.000
  H   1.852154   2.000226   0.210085     12.000
  H  -0.467514   2.553536   0.299067     13.000
  H  -2.275117   0.817201   1.012467     14.000
  H  -1.652912  -1.372319   1.695402     15.000
  H  -0.033150  -2.770044   0.707522      9.000
  H  -0.815929   0.156591  -1.649408     16.000
  H  -2.001748   1.514890  -1.316056     17.000
 17
 Energy -309.64654027    Point 22   Kin_en 30.3658
  C   1.202730  -1.327673  -0.196293      2.000
  C   1.720429  -0.040119  -0.404526      3.000
  C   1.136744   1.185391  -0.086806      4.000
  C  -0.217508   1.553832  -0.059460      5.000
  C  -1.501093   0.314456   0.392619      6.000
  C  -1.061316  -0.942163   0.853497      7.000
  C   0.018692  -1.720077   0.451100      1.000
  C  -1.234868   0.903823  -0.941079      8.000
  H   1.904111  -2.140101  -0.400339     10.000
  H   2.779146  -0.002743  -0.671455     11.000
  H   1.833272   2.000694   0.135808     12.000
  H  -0.484916   2.505678   0.399961     13.000
  H  -2.257118   0.819704   0.995656     14.000
  H  -1.689225  -1.373342   1.639443     15.000
  H  -0.002541  -2.759834   0.786047      9.000
  H  -0.827222   0.233408  -1.698736     16.000
  H  -2.015282   1.580118  -1.294176     17.000
 17
 Energy -309.64383266    Point 23   Kin_en 29.5196
  C   1.219971  -1.326355  -0.155008      2.000
  C   1.705622  -0.042780  -0.448585      3.000
  C   1.121677   1.176905  -0.120976      4.000
  C  -0.239627   1.521006   0.012642      5.000
  C  -1.475843   0.329543   0.371679      6.000
  C  -1.067863  -0.952574   0.825446      7.000
  C   0.032888  -1.722584   0.487054      1.000
  C  -1.232515   0.935899  -0.955220      8.000
  H   1.942209  -2.130671  -0.315483     10.000
  H   2.746341   0.001401  -0.775559     11.000
  H   1.814503   2.012938   0.024725     12.000
  H  -0.492231   2.466842   0.490875     13.000
  H  -2.253261   0.813564   0.964527     14.000
  H  -1.737155  -1.386778   1.574614     15.000
  H   0.019023  -2.752416   0.850017      9.000
  H  -0.800803   0.306353  -1.732158     16.000
  H  -2.004350   1.632499  -1.284366     17.000
 17
 Energy -309.63957142    Point 24   Kin_en 28.8848
  C   1.229864  -1.320182  -0.116403      2.000
  C   1.684589  -0.045000  -0.484802      3.000
  C   1.101842   1.174615  -0.162364      4.000
  C  -0.253984   1.490516   0.092263      5.000
  C  -1.448481   0.347180   0.357146      6.000
  C  -1.077183  -0.962333   0.802649      7.000
  C   0.036227  -1.724991   0.513408      1.000
  C  -1.208574   0.952583  -0.966580      8.000
  H   1.968742  -2.115523  -0.245041     10.000
  H   2.700955   0.000286  -0.878852     11.000
  H   1.777098   2.036834  -0.134407     12.000
  H  -0.492108   2.443456   0.562587     13.000
  H  -2.256913   0.811504   0.923386     14.000
  H  -1.787014  -1.403847   1.508765     15.000
  H   0.023320  -2.751034   0.885495      9.000
  H  -0.737674   0.355031  -1.743909     16.000
  H  -1.962015   1.666470  -1.298542     17.000
 17
 Energy -309.63303000    Point 25   Kin_en 28.4509
  C   1.236038  -1.313914  -0.087678      2.000
  C   1.663315  -0.048736  -0.505033      3.000
  C   1.070197   1.175306  -0.210913      4.000
  C  -0.259536   1.467666   0.175844      5.000
  C  -1.421009   0.371604   0.351668      6.000
  C  -1.086397  -0.969277   0.786574      7.000
  C   0.030771  -1.726670   0.528074      1.000
  C  -1.168914   0.951659  -0.977012      8.000
  H   1.982668  -2.104339  -0.202942     10.000
  H   2.653993  -0.001601  -0.958072     11.000
  H   1.706745   2.059398  -0.323904     12.000
  H  -0.485577   2.442681   0.604376     13.000
  H  -2.263959   0.820159   0.878950     14.000
  H  -1.832423  -1.419580   1.447878     15.000
  H   0.013421  -2.754575   0.893828      9.000
  H  -0.660599   0.365053  -1.737015     16.000
  H  -1.881860   1.692533  -1.335637     17.000
 17
 Energy -309.62388424    Point 26   Kin_en 28.5403
  C   1.241038  -1.309705  -0.069840      2.000
  C   1.645170  -0.054839  -0.512092      3.000
  C   1.024708   1.175032  -0.264212      4.000
  C  -0.257820   1.455722   0.255944      5.000
  C  -1.396186   0.399350   0.355254      6.000
  C  -1.095027  -0.975041   0.775752      7.000
  C   0.020366  -1.727672   0.534316      1.000
  C  -1.117496   0.942581  -0.986482      8.000
  H   1.989317  -2.098785  -0.182769     10.000
  H   2.618238   0.000497  -1.000181     11.000
  H   1.609847   2.067866  -0.507755     12.000
  H  -0.477703   2.457765   0.620526     13.000
  H  -2.272252   0.835762   0.836899     14.000
  H  -1.872076  -1.432947   1.393721     15.000
  H  -0.002867  -2.759725   0.887338      9.000
  H  -0.595122   0.335978  -1.720392     16.000
  H  -1.768379   1.719622  -1.382808     17.000
 17
 Energy -309.61294883    Point 27   Kin_en 29.4562
  C   1.244993  -1.307513  -0.060005      2.000
  C   1.630042  -0.062962  -0.512486      3.000
  C   0.967610   1.171863  -0.320001      4.000
  C  -0.253830   1.452196   0.326164      5.000
  C  -1.373882   0.425415   0.367098      6.000
  C  -1.103609  -0.980033   0.768044      7.000
  C   0.007493  -1.728467   0.535652      1.000
  C  -1.053525   0.935616  -0.993468      8.000
  H   1.994415  -2.095432  -0.169405     10.000
  H   2.599398   0.009630  -1.005497     11.000
  H   1.502896   2.062789  -0.663277     12.000
  H  -0.474717   2.476432   0.623750     13.000
  H  -2.279971   0.851848   0.799607     14.000
  H  -1.907077  -1.442430   1.346161     15.000
  H  -0.021532  -2.764723   0.875442      9.000
  H  -0.554774   0.275671  -1.698299     16.000
  H  -1.636054   1.744101  -1.430118     17.000
 17
 Energy -309.60184856    Point 28   Kin_en 31.317
  C   1.247383  -1.307208  -0.055570      2.000
  C   1.617923  -0.072998  -0.510095      3.000
  C   0.902565   1.166865  -0.377199      4.000
  C  -0.251719   1.452648   0.382467      5.000
  C  -1.353522   0.447500   0.387963      6.000
  C  -1.112547  -0.984349   0.762335      7.000
  C  -0.006166  -1.729248   0.534882      1.000
  C  -0.976717   0.936474  -0.999406      8.000
  H   1.999902  -2.092795  -0.153647     10.000
  H   2.596580   0.025631  -0.979806     11.000
  H   1.403126   2.052781  -0.779048     12.000
  H  -0.480816   2.490712   0.624416     13.000
  H  -2.285103   0.864827   0.772333     14.000
  H  -1.938297  -1.447858   1.305309     15.000
  H  -0.040988  -2.769161   0.862548      9.000
  H  -0.551633   0.190806  -1.668727     16.000
  H  -1.502922   1.760446  -1.476206     17.000
 17
 Energy -309.59297243    Point 29   Kin_en 34.2119
  C   1.247917  -1.308642  -0.053274      2.000
  C   1.609266  -0.083915  -0.506578      3.000
  C   0.838159   1.161821  -0.434950      4.000
  C  -0.256870   1.451721   0.419721      5.000
  C  -1.335571   0.462241   0.424514      6.000
  C  -1.121485  -0.987448   0.759345      7.000
  C  -0.018172  -1.729361   0.535107      1.000
  C  -0.889752   0.949434  -1.013594      8.000
  H   2.004113  -2.091737  -0.134384     10.000
  H   2.603450   0.041499  -0.935618     11.000
  H   1.329472   2.046089  -0.848487     12.000
  H  -0.499035   2.495848   0.626170     13.000
  H  -2.288444   0.872037   0.761876     14.000
  H  -1.966076  -1.451312   1.270464     15.000
  H  -0.059287  -2.772301   0.852345      9.000
  H  -0.607977   0.091520  -1.622979     16.000
  H  -1.391277   1.770305  -1.520727     17.000
 17
 Energy -309.58929233    Point 30   Kin_en 38.0447
  C   1.246548  -1.311439  -0.049389      2.000
  C   1.603194  -0.092487  -0.502100      3.000
  C   0.785962   1.155608  -0.491966      4.000
  C  -0.272504   1.447372   0.435787      5.000
  C  -1.321469   0.465670   0.481717      6.000
  C  -1.130191  -0.987349   0.760722      7.000
  C  -0.025620  -1.727926   0.538335      1.000
  C  -0.801384   0.972218  -1.045647      8.000
  H   2.005472  -2.092736  -0.113857     10.000
  H   2.612419   0.050022  -0.889098     11.000
  H   1.289073   2.042788  -0.880470     12.000
  H  -0.524699   2.492200   0.630306     13.000
  H  -2.291967   0.870418   0.774046     14.000
  H  -1.990819  -1.457000   1.237542     15.000
  H  -0.073793  -2.773458   0.846700      9.000
  H  -0.726240   0.015306  -1.560973     16.000
  H  -1.306013   1.785144  -1.561848     17.000
 17
 Energy -309.58929233    Point 31   Kin_en 38.0446
  C   1.246540  -1.311444  -0.049411      1.000
  C   1.603188  -0.092490  -0.502114      7.000
  C   0.785972   1.155609  -0.491931      6.000
  C  -0.272509   1.447371   0.435791      5.000
  C  -1.321486   0.465667   0.481688      4.000
  C  -1.130184  -0.987346   0.760736      3.000
  C  -0.025612  -1.727921   0.538354      2.000
  C  -0.801380   0.972221  -1.045648      8.000
  H   2.005450  -2.092753  -0.113922      9.000
  H   2.612393   0.050008  -0.889167     15.000
  H   1.289090   2.042792  -0.880420     14.000
  H  -0.524694   2.492201   0.630306     13.000
  H  -2.291991   0.870413   0.774002     12.000
  H  -1.990790  -1.456985   1.237609     11.000
  H  -0.073768  -2.773442   0.846761     10.000
  H  -0.726163   0.015332  -1.561009     16.000
  H  -1.306002   1.785149  -1.561851     17.000
 17
 Energy -309.59297243    Point 32   Kin_en 42.4962
  C   1.243741  -1.314815  -0.041561      1.000
  C   1.598066  -0.095949  -0.496353      7.000
  C   0.752751   1.146055  -0.545485      6.000
  C  -0.296835   1.440637   0.431387      5.000
  C  -1.312512   0.457584   0.556281      4.000
  C  -1.138895  -0.983550   0.767431      3.000
  C  -0.027133  -1.725170   0.543812      2.000
  C  -0.723977   0.998764  -1.094890      8.000
  H   2.005476  -2.094123  -0.091477      9.000
  H   2.619919   0.051979  -0.848036     15.000
  H   1.274117   2.038763  -0.893282     14.000
  H  -0.547556   2.482933   0.636873     13.000
  H  -2.293848   0.859086   0.821060     12.000
  H  -2.011822  -1.469755   1.203099     11.000
  H  -0.082637  -2.773650   0.842571     10.000
  H  -0.867931  -0.001011  -1.502919     16.000
  H  -1.229309   1.815991  -1.604127     17.000
 17
 Energy -309.60184856    Point 33   Kin_en 47.2274
  C   1.240786  -1.317569  -0.029979      1.000
  C   1.593620  -0.094718  -0.489146      7.000
  C   0.739978   1.133801  -0.591369      6.000
  C  -0.329198   1.430858   0.405097      5.000
  C  -1.308026   0.442407   0.641733      4.000
  C  -1.147612  -0.979610   0.778815      3.000
  C  -0.023916  -1.722262   0.548715      2.000
  C  -0.667205   1.028122  -1.152205      8.000
  H   2.007065  -2.093149  -0.065863      9.000
  H   2.627076   0.053141  -0.807942     15.000
  H   1.276758   2.033531  -0.894854     14.000
  H  -0.561210   2.470165   0.638785     13.000
  H  -2.287435   0.841919   0.921086     12.000
  H  -2.025803  -1.490887   1.173151     11.000
  H  -0.085004  -2.774055   0.836898     10.000
  H  -0.980325   0.035548  -1.470732     16.000
  H  -1.143080   1.864059  -1.660054     17.000
 17
 Energy -309.61294883    Point 34   Kin_en 52.0622
  C   1.238169  -1.319555  -0.017094      1.000
  C   1.590546  -0.090578  -0.479863      7.000
  C   0.742394   1.120787  -0.629269      6.000
  C  -0.371341   1.418133   0.361514      5.000
  C  -1.304180   0.426244   0.727572      4.000
  C  -1.156300  -0.978944   0.792641      3.000
  C  -0.019391  -1.720719   0.549501      2.000
  C  -0.628364   1.060817  -1.205029      8.000
  H   2.010583  -2.089649  -0.038470      9.000
  H   2.635787   0.058033  -0.760892     15.000
  H   1.292012   2.027960  -0.883950     14.000
  H  -0.564699   2.455278   0.632349     13.000
  H  -2.263707   0.824757   1.071980     12.000
  H  -2.030824  -1.514601   1.161778     11.000
  H  -0.081891  -2.774940   0.830804     10.000
  H  -1.044054   0.093065  -1.472847     16.000
  H  -1.043079   1.918079  -1.731114     17.000
 17
 Energy -309.62388424    Point 35   Kin_en 56.9626
  C   1.234762  -1.321396  -0.005785      1.000
  C   1.589296  -0.084486  -0.467527      7.000
  C   0.754698   1.108117  -0.661461      6.000
  C  -0.424914   1.405369   0.309013      5.000
  C  -1.297084   0.411779   0.805323      4.000
  C  -1.164369  -0.981554   0.807851      3.000
  C  -0.017256  -1.721777   0.543657      2.000
  C  -0.598308   1.094878  -1.246465      8.000
  H   2.013963  -2.085013  -0.011552      9.000
  H   2.646177   0.067534  -0.702604     15.000
  H   1.315288   2.022167  -0.861909     14.000
  H  -0.564240   2.439922   0.618285     13.000
  H  -2.214454   0.809404   1.251617     12.000
  H  -2.026762  -1.534325   1.180513     11.000
  H  -0.077451  -2.776814   0.824008     10.000
  H  -1.069967   0.150867  -1.503067     16.000
  H  -0.937287   1.966796  -1.802674     17.000
 17
 Energy -309.63303000    Point 36   Kin_en 61.8394
  C   1.228595  -1.323536   0.000961      1.000
  C   1.590259  -0.077223  -0.451181      7.000
  C   0.776168   1.097509  -0.688525      6.000
  C  -0.490486   1.395456   0.253867      5.000
  C  -1.285112   0.400265   0.871449      4.000
  C  -1.169580  -0.985833   0.827202      3.000
  C  -0.020404  -1.726428   0.529983      2.000
  C  -0.572319   1.126322  -1.276878      8.000
  H   2.013887  -2.081090   0.010825      9.000
  H   2.657571   0.079429  -0.632722     15.000
  H   1.343115   2.018079  -0.833142     14.000
  H  -0.571795   2.426496   0.594067     13.000
  H  -2.134661   0.795726   1.438420     12.000
  H  -2.010996  -1.547378   1.234140     11.000
  H  -0.077825  -2.782075   0.808951     10.000
  H  -1.062113   0.197594  -1.555554     16.000
  H  -0.837301   2.006122  -1.861289     17.000
 17
 Energy -309.63957142    Point 37   Kin_en 66.4555
  C   1.216751  -1.326653  -0.001212      1.000
  C   1.593917  -0.070219  -0.430289      7.000
  C   0.805517   1.092199  -0.710232      6.000
  C  -0.565515   1.390431   0.203843      5.000
  C  -1.268652   0.395648   0.924186      4.000
  C  -1.167703  -0.988649   0.856703      3.000
  C  -0.032147  -1.735059   0.507473      2.000
  C  -0.545565   1.146485  -1.300104      8.000
  H   2.004376  -2.082058   0.018541      9.000
  H   2.669612   0.088513  -0.553099     15.000
  H   1.372875   2.019325  -0.801484     14.000
  H  -0.602344   2.419887   0.557206     13.000
  H  -2.029835   0.788748   1.607011     12.000
  H  -1.979772  -1.550242   1.320905     11.000
  H  -0.091209  -2.794014   0.772394     10.000
  H  -1.021169   0.221564  -1.618503     16.000
  H  -0.758349   2.029158  -1.902698     17.000
 17
 Energy -309.64383266    Point 38   Kin_en 70.3582
  C   1.197348  -1.331042  -0.016805      1.000
  C   1.600471  -0.063626  -0.404394      7.000
  C   0.840516   1.092187  -0.724924      6.000
  C  -0.642298   1.389873   0.163538      5.000
  C  -1.251631   0.401569   0.964397      4.000
  C  -1.156386  -0.984923   0.897165      3.000
  C  -0.053410  -1.744003   0.476630      2.000
  C  -0.514290   1.145171  -1.315878      8.000
  H   1.980138  -2.092304  -0.002302      9.000
  H   2.682136   0.090657  -0.467112     15.000
  H   1.401809   2.026387  -0.773349     14.000
  H  -0.661852   2.423243   0.508337     13.000
  H  -1.926792   0.796065   1.731677     12.000
  H  -1.934742  -1.540638   1.423759     11.000
  H  -0.123129  -2.809686   0.708494     10.000
  H  -0.954199   0.212781  -1.667254     16.000
  H  -0.705317   2.022178  -1.935302     17.000
 17
 Energy -309.64654027    Point 39   Kin_en 73.2519
  C   1.173511  -1.335439  -0.044470      1.000
  C   1.611953  -0.057987  -0.375187      7.000
  C   0.881069   1.092059  -0.733101      6.000
  C  -0.715593   1.391268   0.132446      5.000
  C  -1.240373   0.417078   0.996190      4.000
  C  -1.140088  -0.972196   0.938167      3.000
  C  -0.079972  -1.745559   0.440944      2.000
  C  -0.480159   1.121300  -1.318923      8.000
  H   1.942794  -2.111246  -0.052462      9.000
  H   2.697197   0.083806  -0.381354     15.000
  H   1.431281   2.033986  -0.756415     14.000
  H  -0.740641   2.433152   0.452502     13.000
  H  -1.853606   0.816250   1.811074     12.000
  H  -1.885555  -1.523039   1.516426     11.000
  H  -0.169587  -2.817913   0.629719     10.000
  H  -0.876377   0.171907  -1.681336     16.000
  H  -0.668720   1.978482  -1.967598     17.000
 17
 Energy -309.64799909    Point 40   Kin_en 75.3949
  C   1.151568  -1.337663  -0.075094      1.000
  C   1.632215  -0.055674  -0.347924      7.000
  C   0.927800   1.086790  -0.739659      6.000
  C  -0.786429   1.392722   0.110302      5.000
  C  -1.240208   0.438354   1.023423      4.000
  C  -1.125514  -0.953042   0.969946      3.000
  C  -0.107679  -1.735607   0.402685      2.000
  C  -0.445817   1.083749  -1.306408      8.000
  H   1.899293  -2.134150  -0.113670      9.000
  H   2.718857   0.066947  -0.305121     15.000
  H   1.466857   2.035490  -0.757748     14.000
  H  -0.833978   2.444716   0.395477     13.000
  H  -1.816174   0.839786   1.863273     12.000
  H  -1.841779  -1.505780   1.583380     11.000
  H  -0.223830  -2.812169   0.546407     10.000
  H  -0.800649   0.113291  -1.660401     16.000
  H  -0.639265   1.908842  -1.995382     17.000
 17
 Energy -309.64799909    Point 41   Kin_en 76.9176
  C   1.136495  -1.346331  -0.107884      3.000
  C   1.629526  -0.060654  -0.344429      4.000
  C   0.933175   1.093570  -0.709649      5.000
  C  -0.808158   1.388616   0.087416      6.000
  C  -1.243082   0.444485   1.022476      7.000
  C  -1.106891  -0.944750   1.001664      1.000
  C  -0.111055  -1.734910   0.404764      2.000
  C  -0.427483   1.080205  -1.315440      8.000
  H   1.871712  -2.151437  -0.186087     11.000
  H   2.717397   0.051526  -0.297683     12.000
  H   1.468361   2.044254  -0.702494     13.000
  H  -0.877875   2.443229   0.359216     14.000
  H  -1.818444   0.856280   1.857367     15.000
  H  -1.797957  -1.490921   1.649040      9.000
  H  -0.231196  -2.810740   0.550679     10.000
  H  -0.754668   0.104841  -1.682347     16.000
  H  -0.607423   1.902763  -2.011074     17.000
 17
 Energy -309.64654027    Point 42   Kin_en 78.2774
  C   1.121480  -1.358887  -0.144340      3.000
  C   1.602059  -0.069047  -0.365395      4.000
  C   0.900150   1.114660  -0.642266      5.000
  C  -0.780286   1.376095   0.061870      6.000
  C  -1.250678   0.431994   0.995844      7.000
  C  -1.087710  -0.948238   1.039344      1.000
  C  -0.091396  -1.743321   0.447529      2.000
  C  -0.416564   1.109567  -1.350096      8.000
  H   1.851048  -2.161957  -0.272166     11.000
  H   2.691900   0.038996  -0.366418     12.000
  H   1.441511   2.059751  -0.594145     13.000
  H  -0.866232   2.426948   0.342629     14.000
  H  -1.856007   0.863290   1.799248     15.000
  H  -1.757580  -1.477597   1.721098      9.000
  H  -0.186199  -2.814666   0.639473     10.000
  H  -0.716942   0.143531  -1.757804     16.000
  H  -0.566433   1.959710  -2.017849     17.000
 17
 Energy -309.64383266    Point 43   Kin_en 79.628
  C   1.100281  -1.366672  -0.183840      3.000
  C   1.580121  -0.077635  -0.393816      4.000
  C   0.876356   1.132505  -0.566103      5.000
  C  -0.754142   1.361852   0.038544      6.000
  C  -1.267965   0.422389   0.971053      7.000
  C  -1.075628  -0.945598   1.074461      1.000
  C  -0.073815  -1.740039   0.488252      2.000
  C  -0.392363   1.123106  -1.375547      8.000
  H   1.810779  -2.174318  -0.370547     11.000
  H   2.668572   0.018588  -0.472581     12.000
  H   1.428300   2.069320  -0.496419     13.000
  H  -0.870657   2.410946   0.314134     14.000
  H  -1.911400   0.869156   1.735334     15.000
  H  -1.730147  -1.463099   1.778937      9.000
  H  -0.142338  -2.805681   0.720666     10.000
  H  -0.651576   0.159703  -1.812581     16.000
  H  -0.516345   1.988090  -2.028042     17.000
 17
 Energy -309.63957142    Point 44   Kin_en 80.1149
  C   1.075560  -1.367905  -0.216578      3.000
  C   1.558107  -0.082504  -0.430852      4.000
  C   0.861894   1.148566  -0.482278      5.000
  C  -0.722695   1.350366   0.020276      6.000
  C  -1.286114   0.417749   0.949762      7.000
  C  -1.074195  -0.937956   1.098562      1.000
  C  -0.060182  -1.729501   0.523639      2.000
  C  -0.361292   1.113171  -1.390202      8.000
  H   1.757099  -2.182183  -0.467139     11.000
  H   2.632536   0.000228  -0.628164     12.000
  H   1.429218   2.076073  -0.420010     13.000
  H  -0.877707   2.399910   0.273682     14.000
  H  -1.971055   0.875008   1.670293     15.000
  H  -1.726142  -1.449081   1.809263      9.000
  H  -0.107805  -2.789978   0.784746     10.000
  H  -0.571899   0.142788  -1.834113     16.000
  H  -0.458068   1.975210  -2.049769     17.000
 17
 Energy -309.63303000    Point 45   Kin_en 79.6269
  C   1.051901  -1.364875  -0.233815      3.000
  C   1.528984  -0.080297  -0.476351      4.000
  C   0.860120   1.164438  -0.395730      5.000
  C  -0.684288   1.346371   0.007994      6.000
  C  -1.301380   0.417588   0.932997      7.000
  C  -1.081563  -0.927404   1.109658      1.000
  C  -0.052009  -1.719801   0.549025      2.000
  C  -0.329820   1.081840  -1.395495      8.000
  H   1.705404  -2.181832  -0.541103     11.000
  H   2.568242  -0.007427  -0.814303     12.000
  H   1.446191   2.081809  -0.377292     13.000
  H  -0.879161   2.397241   0.225912     14.000
  H  -2.026037   0.881099   1.608778     15.000
  H  -1.741890  -1.437050   1.813145      9.000
  H  -0.091658  -2.777860   0.821882     10.000
  H  -0.504848   0.098509  -1.822717     16.000
  H  -0.380340   1.923538  -2.084546     17.000
 17
 Energy -309.62388424    Point 46   Kin_en 78.895
  C   1.030439  -1.361437  -0.237728      3.000
  C   1.489055  -0.071188  -0.527430      4.000
  C   0.870824   1.180536  -0.314811      5.000
  C  -0.643166   1.349574   0.002870      6.000
  C  -1.314529   0.420107   0.920382      7.000
  C  -1.094190  -0.915473   1.111493      1.000
  C  -0.049078  -1.714427   0.564544      2.000
  C  -0.294725   1.037844  -1.395142      8.000
  H   1.669894  -2.174746  -0.580919     11.000
  H   2.477684  -0.004307  -0.993256     12.000
  H   1.471896   2.087051  -0.362765     13.000
  H  -0.874826   2.401047   0.177992     14.000
  H  -2.073909   0.887924   1.552726     15.000
  H  -1.767009  -1.426017   1.802113      9.000
  H  -0.090051  -2.771883   0.839190     10.000
  H  -0.471102   0.041522  -1.789732     16.000
  H  -0.278635   1.846032  -2.123900     17.000
 17
 Energy -309.61294883    Point 47   Kin_en 78.5798
  C   1.009939  -1.359646  -0.234577      3.000
  C   1.439014  -0.057209  -0.581291      4.000
  C   0.887893   1.196327  -0.245219      5.000
  C  -0.602636   1.356497   0.006056      6.000
  C  -1.326416   0.424916   0.910152      7.000
  C  -1.110009  -0.902777   1.107905      1.000
  C  -0.050957  -1.712437   0.572856      2.000
  C  -0.248281   0.987503  -1.391209      8.000
  H   1.656073  -2.163456  -0.587259     11.000
  H   2.376606   0.006191  -1.142557     12.000
  H   1.496045   2.092487  -0.361226     13.000
  H  -0.867056   2.406935   0.134778     14.000
  H  -2.114097   0.897544   1.501567     15.000
  H  -1.795812  -1.414105   1.784915      9.000
  H  -0.094333  -2.768679   0.850144     10.000
  H  -0.475934  -0.014912  -1.743919     16.000
  H  -0.164200   1.753665  -2.159050     17.000
 17
 Energy -309.60184856    Point 48   Kin_en 78.9829
  C   0.989702  -1.360784  -0.227941      3.000
  C   1.382372  -0.039789  -0.637135      4.000
  C   0.904761   1.210434  -0.189961      5.000
  C  -0.563774   1.365499   0.019041      6.000
  C  -1.337401   0.432049   0.901415      7.000
  C  -1.127289  -0.889418   1.102085      1.000
  C  -0.057404  -1.712366   0.576501      2.000
  C  -0.186948   0.933257  -1.387031      8.000
  H   1.661909  -2.149749  -0.565279     11.000
  H   2.284627   0.021300  -1.252842     12.000
  H   1.511959   2.099542  -0.361425     13.000
  H  -0.856025   2.413057   0.102463     14.000
  H  -2.146792   0.911024   1.455485     15.000
  H  -1.825842  -1.400276   1.766196      9.000
  H  -0.100498  -2.765394   0.863424     10.000
  H  -0.523273  -0.057301  -1.687678     16.000
  H  -0.053915   1.655523  -2.189399     17.000
 17
 Energy -309.59297243    Point 49   Kin_en 80.2823
  C   0.970504  -1.365040  -0.219521      3.000
  C   1.326077  -0.023604  -0.694609      4.000
  C   0.912922   1.221670  -0.154065      5.000
  C  -0.528425   1.376964   0.048643      6.000
  C  -1.346155   0.442160   0.895405      7.000
  C  -1.142399  -0.875151   1.098359      1.000
  C  -0.067268  -1.712418   0.579463      2.000
  C  -0.112392   0.875331  -1.393421      8.000
  H   1.675864  -2.138037  -0.524721     11.000
  H   2.220533   0.034550  -1.319829     12.000
  H   1.514241   2.108793  -0.361181     13.000
  H  -0.843480   2.420495   0.087323     14.000
  H  -2.172933   0.927561   1.415569     15.000
  H  -1.853093  -1.383391   1.751551      9.000
  H  -0.109043  -2.760486   0.881887     10.000
  H  -0.621118  -0.061089  -1.619429     16.000
  H   0.035857   1.567062  -2.219295     17.000
 17
 Energy -309.58929233    Point 50   Kin_en 82.3834
  C   0.954329  -1.369572  -0.210751      3.000
  C   1.276749  -0.017055  -0.751544      4.000
  C   0.907927   1.230812  -0.140807      5.000
  C  -0.500050   1.391074   0.100215      6.000
  C  -1.350227   0.456782   0.893938      7.000
  C  -1.151069  -0.860710   1.100187      1.000
  C  -0.078481  -1.710721   0.586059      2.000
  C  -0.035480   0.814193  -1.420082      8.000
  H   1.685380  -2.132461  -0.479408     11.000
  H   2.186196   0.037669  -1.352423     12.000
  H   1.505440   2.118188  -0.361366     13.000
  H  -0.833019   2.430424   0.094915     14.000
  H  -2.195687   0.943246   1.380929     15.000
  H  -1.872878  -1.364103   1.745270      9.000
  H  -0.119804  -2.753371   0.904995     10.000
  H  -0.745334  -0.001642  -1.552021     16.000
  H   0.107533   1.498348  -2.252813     17.000
 17
 Energy -309.58929233    Point 51   Kin_en 82.3846
  C   0.954320  -1.369575  -0.210765      7.000
  C   1.276760  -0.017052  -0.751514      6.000
  C   0.907923   1.230815  -0.140806      5.000
  C  -0.500069   1.391075   0.100186      4.000
  C  -1.350217   0.456785   0.893952      3.000
  C  -1.151055  -0.860704   1.100206      2.000
  C  -0.078493  -1.710727   0.586041      1.000
  C  -0.035478   0.814191  -1.420084      8.000
  H   1.685341  -2.132475  -0.479471     15.000
  H   2.186216   0.037674  -1.352379     14.000
  H   1.505444   2.118185  -0.361370     13.000
  H  -0.833046   2.430422   0.094873     12.000
  H  -2.195644   0.943258   1.380992     11.000
  H  -1.872837  -1.364088   1.745328     10.000
  H  -0.119840  -2.753387   0.904941      9.000
  H  -0.745272  -0.001694  -1.552051     16.000
  H   0.107540   1.498340  -2.252818     17.000
 17
 Energy -309.59297243    Point 52   Kin_en 84.991
  C   0.942672  -1.370990  -0.202839      7.000
  C   1.237329  -0.025024  -0.803754      6.000
  C   0.891334   1.238033  -0.149795      5.000
  C  -0.480576   1.407637   0.170658      4.000
  C  -1.349184   0.475986   0.898078      3.000
  C  -1.151967  -0.848142   1.107387      2.000
  C  -0.088801  -1.706362   0.598163      1.000
  C   0.030266   0.755109  -1.466066      8.000
  H   1.688233  -2.131629  -0.438028     15.000
  H   2.169548   0.028208  -1.367532     14.000
  H   1.493775   2.123225  -0.361852     13.000
  H  -0.823019   2.444924   0.137463     12.000
  H  -2.218844   0.952230   1.350942     11.000
  H  -1.884088  -1.346479   1.745593     10.000
  H  -0.128856  -2.743915   0.932727      9.000
  H  -0.845979   0.109432  -1.511428     16.000
  H   0.179245   1.442152  -2.295716     17.000
 17
 Energy -309.60184856    Point 53   Kin_en 87.9067
  C   0.935619  -1.369002  -0.195730      7.000
  C   1.209888  -0.046318  -0.846649      6.000
  C   0.862481   1.242265  -0.180926      5.000
  C  -0.467514   1.426875   0.252855      4.000
  C  -1.346121   0.496592   0.908050      3.000
  C  -1.147483  -0.839142   1.116677      2.000
  C  -0.096232  -1.699865   0.614520      1.000
  C   0.079391   0.708240  -1.523767      8.000
  H   1.690946  -2.130477  -0.398614     15.000
  H   2.163949   0.009840  -1.372352     14.000
  H   1.483439   2.118777  -0.367305     13.000
  H  -0.803413   2.467850   0.232018     12.000
  H  -2.241153   0.952122   1.331765     11.000
  H  -1.887970  -1.334282   1.748791     10.000
  H  -0.131520  -2.732495   0.964416      9.000
  H  -0.894521   0.222473  -1.508540     16.000
  H   0.262681   1.382972  -2.357013     17.000
 17
 Energy -309.61294883    Point 54   Kin_en 91.0629
  C   0.932585  -1.365007  -0.188017      7.000
  C   1.193020  -0.075619  -0.879929      6.000
  C   0.821113   1.246329  -0.228308      5.000
  C  -0.455524   1.446251   0.335834      4.000
  C  -1.344719   0.515346   0.921842      3.000
  C  -1.142982  -0.833998   1.123049      2.000
  C  -0.101547  -1.692707   0.631674      1.000
  C   0.118027   0.677361  -1.580987      8.000
  H   1.699718  -2.124806  -0.354761     15.000
  H   2.168324  -0.012322  -1.364369     14.000
  H   1.475918   2.103713  -0.378413     13.000
  H  -0.763546   2.495827   0.376268     12.000
  H  -2.256160   0.949266   1.332902     11.000
  H  -1.887325  -1.327541   1.752960     10.000
  H  -0.128944  -2.720367   0.996761      9.000
  H  -0.900747   0.301426  -1.538110     16.000
  H   0.354930   1.311690  -2.432548     17.000
 17
 Energy -309.62388424    Point 55   Kin_en 94.3742
  C   0.933331  -1.359702  -0.178003      7.000
  C   1.184333  -0.109186  -0.905791      6.000
  C   0.769960   1.255971  -0.284257      5.000
  C  -0.441647   1.461581   0.411416      4.000
  C  -1.345537   0.531424   0.937521      3.000
  C  -1.143539  -0.831827   1.122835      2.000
  C  -0.107326  -1.685647   0.646399      1.000
  C   0.153982   0.657748  -1.629129      8.000
  H   1.716067  -2.112906  -0.302002     15.000
  H   2.180738  -0.035297  -1.343564     14.000
  H   1.468861   2.083543  -0.393899     13.000
  H  -0.700030   2.516484   0.550228     12.000
  H  -2.257970   0.951502   1.360789     11.000
  H  -1.887273  -1.323939   1.755297     10.000
  H  -0.125298  -2.708000   1.026887      9.000
  H  -0.884916   0.343808  -1.589188     16.000
  H   0.447465   1.233031  -2.505162     17.000
 17
 Energy -309.63303000    Point 56   Kin_en 97.6281
  C   0.938004  -1.353411  -0.163948      7.000
  C   1.184875  -0.145641  -0.925142      6.000
  C   0.711834   1.275611  -0.344140      5.000
  C  -0.425160   1.471057   0.475791      4.000
  C  -1.345879   0.545077   0.956844      3.000
  C  -1.152351  -0.831536   1.114669      2.000
  C  -0.115766  -1.678505   0.656060      1.000
  C   0.188278   0.643433  -1.666467      8.000
  H   1.738434  -2.095316  -0.238396     15.000
  H   2.199931  -0.056826  -1.314459     14.000
  H   1.455213   2.067605  -0.418469     13.000
  H  -0.614326   2.518444   0.734201     12.000
  H  -2.242474   0.960078   1.418149     11.000
  H  -1.895466  -1.323102   1.748430     10.000
  H  -0.124888  -2.695404   1.051661      9.000
  H  -0.856765   0.347129  -1.652976     16.000
  H   0.532803   1.157483  -2.562488     17.000
 17
 Energy -309.63957142    Point 57   Kin_en 100.322
  C   0.946495  -1.346856  -0.144141      7.000
  C   1.196456  -0.181951  -0.938920      6.000
  C   0.651104   1.307417  -0.401726      5.000
  C  -0.404747   1.476596   0.525339      4.000
  C  -1.339996   0.557031   0.984391      3.000
  C  -1.171992  -0.831344   1.097404      2.000
  C  -0.129650  -1.670926   0.657033      1.000
  C   0.217529   0.624091  -1.692788      8.000
  H   1.763183  -2.074916  -0.162754     15.000
  H   2.226251  -0.073816  -1.281872     14.000
  H   1.427311   2.069152  -0.458850     13.000
  H  -0.512868   2.499803   0.901546     12.000
  H  -2.205538   0.973451   1.501843     11.000
  H  -1.922000  -1.325754   1.720384     10.000
  H  -0.135853  -2.683949   1.063389      9.000
  H  -0.823010   0.308075  -1.714401     16.000
  H   0.596881   1.093122  -2.600318     17.000
 17
 Energy -309.64383266    Point 58   Kin_en 101.738
  C   0.959124  -1.339841  -0.118316      7.000
  C   1.218012  -0.215501  -0.945971      6.000
  C   0.593348   1.347228  -0.451613      5.000
  C  -0.380796   1.483266   0.559300      4.000
  C  -1.322718   0.568443   1.019557      3.000
  C  -1.200072  -0.828709   1.069880      2.000
  C  -0.150890  -1.663486   0.644704      1.000
  C   0.236901   0.591553  -1.703346      8.000
  H   1.786803  -2.054669  -0.077045     15.000
  H   2.256936  -0.085466  -1.252325     14.000
  H   1.383240   2.094889  -0.516380     13.000
  H  -0.414067   2.475324   1.022874     12.000
  H  -2.150122   0.987604   1.595461     11.000
  H  -1.969082  -1.328987   1.663722     10.000
  H  -0.166844  -2.677502   1.049682      9.000
  H  -0.791200   0.234656  -1.747697     16.000
  H   0.625060   1.033392  -2.621730     17.000
 17
 Energy -309.64654027    Point 59   Kin_en 101.662
  C   0.976080  -1.334869  -0.088942      7.000
  C   1.245141  -0.249102  -0.945455      6.000
  C   0.540357   1.389691  -0.491951      5.000
  C  -0.356979   1.496128   0.582270      4.000
  C  -1.296707   0.579904   1.052324      3.000
  C  -1.227225  -0.821510   1.032880      2.000
  C  -0.176313  -1.657779   0.619020      1.000
  C   0.244879   0.549677  -1.692724      8.000
  H   1.807158  -2.039944   0.011437     15.000
  H   2.287138  -0.098157  -1.231744     14.000
  H   1.328450   2.137489  -0.583005     13.000
  H  -0.337206   2.463274   1.095755     12.000
  H  -2.090012   0.997009   1.677001     11.000
  H  -2.023124  -1.325650   1.586053     10.000
  H  -0.216616  -2.678065   1.007773      9.000
  H  -0.767988   0.147279  -1.735795     16.000
  H   0.616694   0.966639  -2.630269     17.000
 17
 Energy -309.64799909    Point 60   Kin_en 100.674
  C   0.996521  -1.338490  -0.060565      7.000
  C   1.273219  -0.287968  -0.940748      6.000
  C   0.490446   1.434366  -0.521891      5.000
  C  -0.337880   1.517945   0.599454      4.000
  C  -1.269293   0.591353   1.074739      3.000
  C  -1.247127  -0.809404   0.987736      2.000
  C  -0.198945  -1.654141   0.587647      1.000
  C   0.245968   0.507469  -1.661909      8.000
  H   1.823394  -2.038704   0.093185     15.000
  H   2.313954  -0.122877  -1.224577     14.000
  H   1.264519   2.192359  -0.650469     13.000
  H  -0.287927   2.468004   1.140863     12.000
  H  -2.039131   0.998209   1.735552     11.000
  H  -2.072760  -1.312862   1.495665     10.000
  H  -0.274561  -2.681904   0.952281      9.000
  H  -0.752560   0.065428  -1.685283     16.000
  H   0.585783   0.895161  -2.624772     17.000
 17
 Energy -309.64799909    Point 61   Kin_en 101.807
  C   0.991447  -1.338558  -0.054405      4.000
  C   1.286504  -0.278988  -0.915089      5.000
  C   0.468824   1.438732  -0.547058      6.000
  C  -0.334951   1.524308   0.593776      7.000
  C  -1.244469   0.595830   1.103346      1.000
  C  -1.248180  -0.804044   0.990779      2.000
  C  -0.221195  -1.658947   0.561100      3.000
  C   0.253387   0.486313  -1.667112      8.000
  H   1.812289  -2.044393   0.107609     12.000
  H   2.330445  -0.101680  -1.177813     13.000
  H   1.227568   2.209279  -0.693707     14.000
  H  -0.277552   2.479132   1.125449     15.000
  H  -1.986154   1.001422   1.796434      9.000
  H  -2.075421  -1.302455   1.501065     10.000
  H  -0.318504  -2.696121   0.892243     11.000
  H  -0.732468   0.016950  -1.695291     16.000
  H   0.598860   0.858827  -2.633946     17.000
 17
 Energy -309.64654027    Point 62   Kin_en 105.281
  C   0.961630  -1.332248  -0.072509      4.000
  C   1.288654  -0.223389  -0.868739      5.000
  C   0.473790   1.399527  -0.568473      6.000
  C  -0.350553   1.515533   0.568147      7.000
  C  -1.223369   0.598638   1.143463      1.000
  C  -1.231119  -0.803086   1.042692      2.000
  C  -0.246935  -1.666086   0.536943      3.000
  C   0.271079   0.476918  -1.710699      8.000
  H   1.771923  -2.059154   0.047738     12.000
  H   2.339565  -0.041356  -1.094652     13.000
  H   1.220890   2.181478  -0.713028     14.000
  H  -0.302491   2.494322   1.055546     15.000
  H  -1.930040   1.014333   1.865645      9.000
  H  -2.028746  -1.298117   1.601570     10.000
  H  -0.355656  -2.714249   0.825149     11.000
  H  -0.698008  -0.019969  -1.771120     16.000
  H   0.659145   0.849840  -2.660136     17.000
 17
 Energy -309.64383266    Point 63   Kin_en 108.153
  C   0.933267  -1.333184  -0.097632      4.000
  C   1.296619  -0.172789  -0.812382      5.000
  C   0.477246   1.361516  -0.585976      6.000
  C  -0.369683   1.515691   0.543235      7.000
  C  -1.202591   0.609045   1.178320      1.000
  C  -1.207547  -0.794553   1.087240      2.000
  C  -0.274962  -1.667505   0.505991      3.000
  C   0.288008   0.452973  -1.737617      8.000
  H   1.719058  -2.094706  -0.044676     12.000
  H   2.352283   0.002190  -1.017506     13.000
  H   1.202333   2.161232  -0.743545     14.000
  H  -0.340441   2.518537   0.980479     15.000
  H  -1.883486   1.031795   1.920043      9.000
  H  -1.975041  -1.288051   1.688669     10.000
  H  -0.411366  -2.724592   0.742467     11.000
  H  -0.657865  -0.081435  -1.815514     16.000
  H   0.704677   0.818021  -2.677002     17.000
 17
 Energy -309.63957142    Point 64   Kin_en 109.314
  C   0.905800  -1.334943  -0.132636      4.000
  C   1.312216  -0.126126  -0.746217      5.000
  C   0.487641   1.323691  -0.596853      6.000
  C  -0.385723   1.519968   0.521123      7.000
  C  -1.188332   0.624901   1.199108      1.000
  C  -1.183283  -0.781949   1.121335      2.000
  C  -0.300145  -1.660765   0.476098      3.000
  C   0.296222   0.416073  -1.743983      8.000
  H   1.649251  -2.137856  -0.185423     12.000
  H   2.369995   0.027584  -0.954732     13.000
  H   1.183997   2.142294  -0.783303     14.000
  H  -0.382551   2.544075   0.906595     15.000
  H  -1.859619   1.054008   1.945178      9.000
  H  -1.927245  -1.275143   1.752474     10.000
  H  -0.473854  -2.723013   0.654371     11.000
  H  -0.624313  -0.158854  -1.815607     16.000
  H   0.726404   0.754929  -2.686123     17.000
 17
 Energy -309.63303000    Point 65   Kin_en 108.633
  C   0.877415  -1.330069  -0.179469      4.000
  C   1.338118  -0.086512  -0.674003      5.000
  C   0.509694   1.288169  -0.601546      6.000
  C  -0.396857   1.525639   0.503371      7.000
  C  -1.182105   0.642387   1.204643      1.000
  C  -1.166536  -0.771168   1.142952      2.000
  C  -0.319083  -1.647419   0.456341      3.000
  C   0.293454   0.372047  -1.732638      8.000
  H   1.562646  -2.164660  -0.362486     12.000
  H   2.393041   0.030397  -0.916613     13.000
  H   1.174640   2.122802  -0.827440     14.000
  H  -0.422613   2.566344   0.839408     15.000
  H  -1.858313   1.076999   1.942559      9.000
  H  -1.901546  -1.263332   1.785641     10.000
  H  -0.525528  -2.710901   0.580019     11.000
  H  -0.610225  -0.229104  -1.778205     16.000
  H   0.734442   0.653920  -2.687559     17.000
 17
 Energy -309.62388424    Point 66   Kin_en 107.019
  C   0.845784  -1.315107  -0.235962      4.000
  C   1.372426  -0.057425  -0.603536      5.000
  C   0.540937   1.257974  -0.599925      6.000
  C  -0.404280   1.532359   0.489912      7.000
  C  -1.181550   0.660001   1.199623      1.000
  C  -1.159811  -0.763794   1.154053      2.000
  C  -0.334531  -1.631067   0.446699      3.000
  C   0.287205   0.321894  -1.710059      8.000
  H   1.467696  -2.162939  -0.541346     12.000
  H   2.417460   0.017069  -0.899698     13.000
  H   1.175098   2.103630  -0.869432     14.000
  H  -0.457003   2.585096   0.780315     15.000
  H  -1.869069   1.098999   1.924120      9.000
  H  -1.896157  -1.253420   1.797000     10.000
  H  -0.556192  -2.694816   0.533055     11.000
  H  -0.621461  -0.272785  -1.722259     16.000
  H   0.742329   0.521580  -2.678306     17.000
 17
 Energy -309.61294883    Point 67   Kin_en 105.311
  C   0.810091  -1.290945  -0.298571      4.000
  C   1.409172  -0.037771  -0.540827      5.000
  C   0.577262   1.233420  -0.590537      6.000
  C  -0.408341   1.540223   0.478831      7.000
  C  -1.184398   0.678141   1.188236      1.000
  C  -1.161739  -0.757806   1.157278      2.000
  C  -0.350529  -1.613975   0.442559      3.000
  C   0.286371   0.262273  -1.679725      8.000
  H   1.376383  -2.138286  -0.697878     12.000
  H   2.439423  -0.000389  -0.892385     13.000
  H   1.182393   2.085006  -0.904423     14.000
  H  -0.482456   2.601490   0.727449     15.000
  H  -1.884075   1.121542   1.898147      9.000
  H  -1.900494  -1.243566   1.799692     10.000
  H  -0.565030  -2.680114   0.515479     11.000
  H  -0.654283  -0.281699  -1.661490     16.000
  H   0.751398   0.374560  -2.656860     17.000
 17
 Energy -309.60184856    Point 68   Kin_en 103.916
  C   0.771953  -1.260635  -0.365191      4.000
  C   1.442128  -0.025084  -0.489353      5.000
  C   0.616875   1.214439  -0.572185      6.000
  C  -0.409169   1.549441   0.468691      7.000
  C  -1.188518   0.697267   1.173746      1.000
  C  -1.170322  -0.750993   1.155076      2.000
  C  -0.369078  -1.597427   0.441827      3.000
  C   0.293701   0.189949  -1.645427      8.000
  H   1.301712  -2.103391  -0.819074     12.000
  H   2.457353  -0.012775  -0.886555     13.000
  H   1.196122   2.067722  -0.927327     14.000
  H  -0.497821   2.616783   0.679514     15.000
  H  -1.899350   1.146147   1.868887      9.000
  H  -1.907741  -1.231004   1.802266     10.000
  H  -0.555727  -2.668159   0.524402     11.000
  H  -0.702466  -0.246626  -1.603457     16.000
  H   0.755918   0.229393  -2.629277     17.000
 17
 Energy -309.59297243    Point 69   Kin_en 103.079
  C   0.733139  -1.231854  -0.431928      4.000
  C   1.463554  -0.015493  -0.455423      5.000
  C   0.659187   1.204519  -0.540586      6.000
  C  -0.405453   1.560166   0.459213      7.000
  C  -1.189999   0.717187   1.160562      1.000
  C  -1.181703  -0.740907   1.152091      2.000
  C  -0.389232  -1.582360   0.445012      3.000
  C   0.304877   0.100758  -1.617824      8.000
  H   1.252611  -2.074849  -0.894357     12.000
  H   2.467995  -0.014984  -0.882700     13.000
  H   1.215648   2.055271  -0.935916     14.000
  H  -0.504633   2.632047   0.635229     15.000
  H  -1.909556   1.173781   1.841601      9.000
  H  -1.914966  -1.212291   1.809184     10.000
  H  -0.539780  -2.656435   0.554116     11.000
  H  -0.753783  -0.148655  -1.556209     16.000
  H   0.753469   0.103052  -2.608430     17.000
 17
 Energy -309.58929233    Point 70   Kin_en 102.867
  C   0.692816  -1.213703  -0.492064      4.000
  C   1.470296  -0.005634  -0.444133      5.000
  C   0.701809   1.208126  -0.493028      6.000
  C  -0.394882   1.572240   0.450574      7.000
  C  -1.185622   0.735847   1.152831      1.000
  C  -1.191025  -0.726091   1.153449      2.000
  C  -0.406513  -1.568899   0.451876      3.000
  C   0.310020  -0.001807  -1.607696      8.000
  H   1.223054  -2.062582  -0.927262     12.000
  H   2.470884  -0.009517  -0.882212     13.000
  H   1.238332   2.052693  -0.928909     14.000
  H  -0.509409   2.647123   0.592422     15.000
  H  -1.910822   1.202556   1.821273      9.000
  H  -1.919631  -1.186862   1.822307     10.000
  H  -0.528966  -2.642785   0.594653     11.000
  H  -0.777079   0.002293  -1.536372     16.000
  H   0.750557  -0.003844  -2.601620     17.000
 17
 Energy -309.58929233    Point 71   Kin_en 102.867
  C   0.692834  -1.213699  -0.492033      6.000
  C   1.470296  -0.005629  -0.444134      5.000
  C   0.701791   1.208129  -0.493058      4.000
  C  -0.394872   1.572239   0.450586      3.000
  C  -1.185607   0.735847   1.152848      2.000
  C  -1.191040  -0.726091   1.153432      1.000
  C  -0.406523  -1.568898   0.451865      7.000
  C   0.310020  -0.001812  -1.607696      8.000
  H   1.223081  -2.062578  -0.927219     14.000
  H   2.470883  -0.009523  -0.882213     13.000
  H   1.238305   2.052697  -0.928954     12.000
  H  -0.509361   2.647120   0.592479     11.000
  H  -1.910775   1.202555   1.821325     10.000
  H  -1.919677  -1.186863   1.822257      9.000
  H  -0.529014  -2.642786   0.594596     15.000
  H  -0.777081   0.002204  -1.536372     16.000
  H   0.750557  -0.003858  -2.601620     17.000
 17
 Energy -309.59297243    Point 72   Kin_en 103.255
  C   0.650164  -1.209825  -0.539665      6.000
  C   1.463553   0.004272  -0.455670      5.000
  C   0.742166   1.226026  -0.433094      4.000
  C  -0.377435   1.585577   0.443725      3.000
  C  -1.175995   0.750613   1.151649      2.000
  C  -1.195082  -0.707370   1.161363      1.000
  C  -0.416913  -1.556731   0.460609      7.000
  C   0.303854  -0.104389  -1.617786      8.000
  H   1.200248  -2.065008  -0.934359     14.000
  H   2.467891  -0.004036  -0.883106     13.000
  H   1.267785   2.064759  -0.896326     12.000
  H  -0.520014   2.660828   0.551938     11.000
  H  -1.905640   1.227971   1.808456     10.000
  H  -1.917884  -1.158047   1.842906      9.000
  H  -0.523994  -2.627698   0.637553     15.000
  H  -0.752919   0.152905  -1.556214     16.000
  H   0.752252  -0.110846  -2.608462     17.000
 17
 Energy -309.60184856    Point 73   Kin_en 104.266
  C   0.607707  -1.219486  -0.571258      6.000
  C   1.442105   0.013997  -0.489866      5.000
  C   0.781098   1.254570  -0.366632      4.000
  C  -0.357140   1.600516   0.440457      3.000
  C  -1.164354   0.760676   1.154771      2.000
  C  -1.193219  -0.687392   1.174801      1.000
  C  -0.420415  -1.545946   0.470280      7.000
  C   0.291723  -0.193644  -1.645349      8.000
  H   1.180529  -2.077347  -0.925799     14.000
  H   2.457071  -0.006167  -0.887401     13.000
  H   1.316897   2.092973  -0.821483     12.000
  H  -0.535863   2.672671   0.522095     11.000
  H  -1.897991   1.246714   1.801760     10.000
  H  -1.907098  -1.130373   1.870603      9.000
  H  -0.516860  -2.612408   0.682131     15.000
  H  -0.701185   0.250300  -1.603447     16.000
  H   0.753296  -0.237412  -2.629317     17.000
 17
 Energy -309.61294883    Point 74   Kin_en 105.831
  C   0.567892  -1.238230  -0.589556      6.000
  C   1.409116   0.026885  -0.541625      5.000
  C   0.819361   1.284665  -0.300356      4.000
  C  -0.338457   1.616959   0.441057      3.000
  C  -1.155527   0.767502   1.157108      2.000
  C  -1.188685  -0.668208   1.189582      1.000
  C  -0.419349  -1.536691   0.480661      7.000
  C   0.283526  -0.266115  -1.679602      8.000
  H   1.166598  -2.094552  -0.902876     14.000
  H   2.438874  -0.018410  -0.893696     13.000
  H   1.391626   2.127420  -0.700854     12.000
  H  -0.545104   2.684717   0.512978     11.000
  H  -1.890354   1.259330   1.799413     10.000
  H  -1.891203  -1.105734   1.900332      9.000
  H  -0.501099  -2.597127   0.730431     15.000
  H  -0.653108   0.284752  -1.661431     16.000
  H   0.747186  -0.382824  -2.656869     17.000
 17
 Energy -309.62388424    Point 75   Kin_en 107.702
  C   0.531330  -1.262568  -0.598861      6.000
  C   1.372352   0.046750  -0.604622      5.000
  C   0.855140   1.308651  -0.238121      4.000
  C  -0.322334   1.633971   0.445047      3.000
  C  -1.153361   0.773540   1.154024      2.000
  C  -1.185412  -0.650005   1.201269      1.000
  C  -0.415037  -1.528811   0.491997      7.000
  C   0.283572  -0.325954  -1.709897      8.000
  H   1.159127  -2.113122  -0.867855     14.000
  H   2.416596  -0.035681  -0.901473     13.000
  H   1.482966   2.151586  -0.544956     12.000
  H  -0.536194   2.699403   0.530329     11.000
  H  -1.885648   1.269249   1.796948     10.000
  H  -1.875560  -1.083154   1.926788      9.000
  H  -0.475190  -2.580800   0.783666     15.000
  H  -0.620756   0.275298  -1.722113     16.000
  H   0.736505  -0.530067  -2.678249     17.000
 17
 Energy -309.63303000    Point 76   Kin_en 109.47
  C   0.499828  -1.292578  -0.600370      6.000
  C   1.338067   0.076004  -0.675369      5.000
  C   0.886805   1.323480  -0.182003      4.000
  C  -0.306771   1.650257   0.454524      3.000
  C  -1.159865   0.781016   1.143056      2.000
  C  -1.185560  -0.632309   1.206576      1.000
  C  -0.407362  -1.522094   0.505704      7.000
  C   0.289122  -0.376367  -1.732433      8.000
  H   1.158528  -2.132269  -0.825813     14.000
  H   2.391889  -0.048816  -0.918820     13.000
  H   1.577859   2.152877  -0.366734     12.000
  H  -0.505430   2.715358   0.577026     11.000
  H  -1.890700   1.279285   1.785801     10.000
  H  -1.864183  -1.061094   1.945686      9.000
  H  -0.440298  -2.562156   0.843102     15.000
  H  -0.610244   0.231223  -1.777924     16.000
  H   0.727162  -0.662630  -2.687406     17.000
 17
 Energy -309.63957142    Point 77   Kin_en 110.288
  C   0.477493  -1.327981  -0.595528      6.000
  C   1.312249   0.115690  -0.747847      5.000
  C   0.915176   1.328240  -0.135521      4.000
  C  -0.287726   1.663535   0.474091      3.000
  C  -1.176404   0.791965   1.121542      2.000
  C  -1.191428  -0.614703   1.201304      1.000
  C  -0.396002  -1.516437   0.523690      7.000
  C   0.291287  -0.420624  -1.743722      8.000
  H   1.167766  -2.151804  -0.781598     14.000
  H   2.368667  -0.045875  -0.957319     13.000
  H   1.664292   2.125740  -0.190263     12.000
  H  -0.453634   2.727247   0.651059     11.000
  H  -1.916114   1.291352   1.752811     10.000
  H  -1.864933  -1.037951   1.948721      9.000
  H  -0.399724  -2.540002   0.910600     15.000
  H  -0.625192   0.160773  -1.815135     16.000
  H   0.717981  -0.763869  -2.685860     17.000
 17
 Energy -309.64383266    Point 78   Kin_en 109.234
  C   0.466821  -1.365782  -0.584443      6.000
  C   1.296803   0.162301  -0.814247      5.000
  C   0.942604   1.326358  -0.100859      4.000
  C  -0.262466   1.670201   0.503732      3.000
  C  -1.200512   0.804808   1.087489      2.000
  C  -1.205425  -0.598648   1.180749      1.000
  C  -0.379777  -1.512180   0.546050      7.000
  C   0.282617  -0.457702  -1.737263      8.000
  H   1.186004  -2.170880  -0.741658     14.000
  H   2.350941  -0.020500  -1.020401     13.000
  H   1.733856   2.082352  -0.050059     12.000
  H  -0.391053   2.728597   0.738729     11.000
  H  -1.963727   1.304683   1.689094     10.000
  H  -1.888386  -1.015394   1.923970      9.000
  H  -0.357125  -2.514529   0.984820     15.000
  H  -0.659527   0.083301  -1.814826     16.000
  H   0.695511  -0.827160  -2.676591     17.000
 17
 Energy -309.64654027    Point 79   Kin_en 106.43
  C   0.463117  -1.403842  -0.566623      6.000
  C   1.289052   0.212734  -0.870822      5.000
  C   0.970940   1.325276  -0.076120      4.000
  C  -0.234423   1.668731   0.534327      3.000
  C  -1.224020   0.813612   1.042888      2.000
  C  -1.226061  -0.587953   1.146119      1.000
  C  -0.360522  -1.512014   0.571278      7.000
  C   0.265431  -0.481825  -1.710209      8.000
  H   1.204471  -2.191317  -0.710780     14.000
  H   2.338348   0.022866  -1.097790     13.000
  H   1.786519   2.046635   0.041783     12.000
  H  -0.335338   2.718143   0.820828     11.000
  H  -2.017383   1.315258   1.601937     10.000
  H  -1.934701  -0.997366   1.869960      9.000
  H  -0.318743  -2.490263   1.060340     15.000
  H  -0.700194   0.021806  -1.770235     16.000
  H   0.649589  -0.859150  -2.659495     17.000
 17
 Energy -309.64799909    Point 80   Kin_en 102.993
  C   0.457921  -1.443108  -0.544765      6.000
  C   1.287168   0.268058  -0.917418      5.000
  C   1.000774   1.331426  -0.058493      4.000
  C  -0.208728   1.661600   0.558018      3.000
  C  -1.241113   0.814828   0.990846      2.000
  C  -1.247105  -0.584807   1.106264      1.000
  C  -0.344856  -1.520701   0.597342      7.000
  C   0.247648  -0.491468  -1.666462      8.000
  H   1.211015  -2.219278  -0.690882     14.000
  H   2.329470   0.082867  -1.181211     13.000
  H   1.826789   2.031788   0.100955     12.000
  H  -0.298271   2.700104   0.887179     11.000
  H  -2.064115   1.320090   1.501248     10.000
  H  -1.990669  -0.983754   1.801193      9.000
  H  -0.293448  -2.474825   1.130882     15.000
  H  -0.734916  -0.015230  -1.694247     16.000
  H   0.589148  -0.868368  -2.633008     17.000
 17
 Energy -309.64799909    Point 81   Kin_en 101.807
  C   0.479661  -1.438850  -0.519566      5.000
  C   1.273990   0.277067  -0.942974      6.000
  C   1.005836   1.331314  -0.064602      7.000
  C  -0.186536   1.656702   0.584495      1.000
  C  -1.240114   0.820187   0.987669      2.000
  C  -1.272026  -0.580198   1.077585      3.000
  C  -0.347775  -1.514297   0.603013      4.000
  C   0.240231  -0.512593  -1.661175      8.000
  H   1.248213  -2.202536  -0.647577     13.000
  H   2.313167   0.104073  -1.227799     14.000
  H   1.837816   2.026004   0.086643     15.000
  H  -0.254443   2.685717   0.947108      9.000
  H  -2.061525   1.330486   1.495621     10.000
  H  -2.043848  -0.980268   1.740223     11.000
  H  -0.303802  -2.463572   1.146313     12.000
  H  -0.755192  -0.063582  -1.684176     16.000
  H   0.576058  -0.904643  -2.623674     17.000
 17
 Energy -309.64654027    Point 82   Kin_en 102.657
  C   0.530001  -1.394380  -0.489945      5.000
  C   1.245851   0.238551  -0.947239      6.000
  C   0.985386   1.327774  -0.092457      7.000
  C  -0.163936   1.660125   0.616128      1.000
  C  -1.220282   0.832068   1.032656      2.000
  C  -1.299637  -0.568783   1.054778      3.000
  C  -0.366909  -1.492490   0.585427      4.000
  C   0.239169  -0.554522  -1.691960      8.000
  H   1.312694  -2.147895  -0.580447     13.000
  H   2.286447   0.079720  -1.234355     14.000
  H   1.821530   2.027146   0.005728     15.000
  H  -0.196614   2.681387   1.003029      9.000
  H  -2.012004   1.342839   1.585738     10.000
  H  -2.095196  -0.979118   1.681069     11.000
  H  -0.353415  -2.458801   1.100684     12.000
  H  -0.770876  -0.145059  -1.734701     16.000
  H   0.607022  -0.975834  -2.629125     17.000
 17
 Energy -309.64383266    Point 83   Kin_en 102.577
  C   0.583400  -1.352192  -0.449735      5.000
  C   1.218709   0.205201  -0.947363      6.000
  C   0.968496   1.332798  -0.121472      7.000
  C  -0.138550   1.665642   0.641902      1.000
  C  -1.193262   0.839072   1.069419      2.000
  C  -1.325851  -0.557262   1.021657      3.000
  C  -0.390828  -1.479545   0.562226      4.000
  C   0.231261  -0.596205  -1.702499      8.000
  H   1.367919  -2.105545  -0.513845     13.000
  H   2.256426   0.067266  -1.254354     14.000
  H   1.801256   2.041812  -0.082150     15.000
  H  -0.146973   2.680454   1.045107      9.000
  H  -1.958204   1.345831   1.663021     10.000
  H  -2.155720  -0.969535   1.598987     11.000
  H  -0.430738  -2.470528   1.027573     12.000
  H  -0.794322  -0.232104  -1.746622     16.000
  H   0.615502  -1.042394  -2.620427     17.000
 17
 Energy -309.63957142    Point 84   Kin_en 101.002
  C   0.641513  -1.312725  -0.399838      5.000
  C   1.197132   0.171775  -0.939976      6.000
  C   0.955982   1.339819  -0.147084      7.000
  C  -0.117321   1.672953   0.654185      1.000
  C  -1.165344   0.841595   1.096670      2.000
  C  -1.343313  -0.545742   0.986192      3.000
  C  -0.414932  -1.472753   0.528175      4.000
  C   0.212008  -0.628583  -1.691827      8.000
  H   1.412234  -2.080075  -0.456107     13.000
  H   2.225913   0.055700  -1.283373     14.000
  H   1.777828   2.062003  -0.167476     15.000
  H  -0.116045   2.686703   1.058771      9.000
  H  -1.911415   1.342428   1.719246     10.000
  H  -2.211475  -0.955075   1.504908     11.000
  H  -0.530109  -2.494504   0.906239     12.000
  H  -0.826265  -0.305193  -1.713351     16.000
  H   0.587434  -1.101891  -2.598768     17.000
 17
 Energy -309.63303000    Point 85   Kin_en 98.167
  C   0.702502  -1.281309  -0.342143      5.000
  C   1.185462   0.135456  -0.925936      6.000
  C   0.947617   1.346345  -0.166827      7.000
  C  -0.103414   1.680480   0.653063      1.000
  C  -1.145838   0.841805   1.113674      2.000
  C  -1.349314  -0.533668   0.958436      3.000
  C  -0.435487  -1.467104   0.478653      4.000
  C   0.182886  -0.647787  -1.665380      8.000
  H   1.440143  -2.078751  -0.415366     13.000
  H   2.199674   0.038653  -1.315547     14.000
  H   1.753315   2.082350  -0.242981     15.000
  H  -0.105056   2.698132   1.046822      9.000
  H  -1.885114   1.339839   1.746875     10.000
  H  -2.248650  -0.941386   1.420897     11.000
  H  -0.632043  -2.512636   0.739048     12.000
  H  -0.859998  -0.343966  -1.651958     16.000
  H   0.523300  -1.165920  -2.560621     17.000
 17
 Energy -309.62388424    Point 86   Kin_en 94.8
  C   0.760777  -1.262044  -0.282082      5.000
  C   1.184772   0.098882  -0.906399      6.000
  C   0.943057   1.352583  -0.180951      7.000
  C  -0.094932   1.687626   0.643168      1.000
  C  -1.137113   0.842230   1.121606      2.000
  C  -1.349009  -0.519884   0.939001      3.000
  C  -0.452039  -1.457557   0.414395      4.000
  C   0.148662  -0.661992  -1.627904      8.000
  H   1.453647  -2.094849  -0.390356     13.000
  H   2.180465   0.016957  -1.344363     14.000
  H   1.731166   2.099877  -0.306671     15.000
  H  -0.105391   2.710815   1.021681      9.000
  H  -1.877055   1.340920   1.753363     10.000
  H  -2.264301  -0.932547   1.363389     11.000
  H  -0.717981  -2.510297   0.555338     12.000
  H  -0.887931  -0.340486  -1.588222     16.000
  H   0.437678  -1.241074  -2.502918     17.000
 17
 Energy -309.61294883    Point 87   Kin_en 91.4052
  C   0.811994  -1.252721  -0.225920      5.000
  C   1.193286   0.065130  -0.880408      6.000
  C   0.942399   1.357816  -0.191127      7.000
  C  -0.089096   1.694715   0.628156      1.000
  C  -1.136587   0.844607   1.121609      2.000
  C  -1.348155  -0.503656   0.923283      3.000
  C  -0.465898  -1.442207   0.338984      4.000
  C   0.112664  -0.681505  -1.579597      8.000
  H   1.460525  -2.115141  -0.374406     13.000
  H   2.167967  -0.006247  -1.364978     14.000
  H   1.714971   2.111684  -0.359669     15.000
  H  -0.108942   2.723310   0.991097      9.000
  H  -1.877154   1.344850   1.750685     10.000
  H  -2.262599  -0.930099   1.335496     11.000
  H  -0.781506  -2.489435   0.381700     12.000
  H  -0.903347  -0.298107  -1.537233     16.000
  H   0.344720  -1.319314  -2.429892     17.000
 17
 Energy -309.60184856    Point 88   Kin_en 88.1943
  C   0.853378  -1.248909  -0.178326      5.000
  C   1.209976   0.035606  -0.847043      6.000
  C   0.945499   1.361716  -0.199048      7.000
  C  -0.083710   1.701903   0.610700      1.000
  C  -1.141064   0.849985   1.115053      2.000
  C  -1.349463  -0.484737   0.909493      3.000
  C  -0.477813  -1.422862   0.256191      4.000
  C   0.073848  -0.712238  -1.522182      8.000
  H   1.467898  -2.130334  -0.362871     13.000
  H   2.163468  -0.028676  -1.372846     14.000
  H   1.706292   2.117216  -0.403834     15.000
  H  -0.111399   2.735549   0.958270      9.000
  H  -1.877768   1.351922   1.746224     10.000
  H  -2.247676  -0.932788   1.334451     11.000
  H  -0.821278  -2.461412   0.237788     12.000
  H  -0.896503  -0.219368  -1.507818     16.000
  H   0.252013  -1.390166  -2.353946     17.000
 17
 Energy -309.59297243    Point 89   Kin_en 85.2557
  C   0.882224  -1.244869  -0.147046      5.000
  C   1.237276   0.014062  -0.804101      6.000
  C   0.952615   1.363575  -0.206334      7.000
  C  -0.076177   1.708388   0.594108      1.000
  C  -1.145460   0.859178   1.105628      2.000
  C  -1.352400  -0.463967   0.899528      3.000
  C  -0.490808  -1.403676   0.174131      4.000
  C   0.024378  -0.758808  -1.464266      8.000
  H   1.478127  -2.134943  -0.357131     13.000
  H   2.168939  -0.047326  -1.367970     14.000
  H   1.703656   2.118182  -0.443513     15.000
  H  -0.108565   2.747002   0.926203      9.000
  H  -1.873758   1.364375   1.742815     10.000
  H  -2.225404  -0.932762   1.353732     11.000
  H  -0.840830  -2.438508   0.143493     12.000
  H  -0.847137  -0.106852  -1.510964     16.000
  H   0.168123  -1.448897  -2.292308     17.000
 17
 Energy -309.58929233    Point 90   Kin_en 82.6576
  C   0.898791  -1.237812  -0.138028      5.000
  C   1.276655   0.005813  -0.751862      6.000
  C   0.964333   1.361988  -0.214331      7.000
  C  -0.065731   1.712680   0.581891      1.000
  C  -1.144393   0.871839   1.098386      2.000
  C  -1.353313  -0.444645   0.895389      3.000
  C  -0.510281  -1.387104   0.103696      4.000
  C  -0.041848  -0.817360  -1.418088      8.000
  H   1.489699  -2.130095  -0.356577     13.000
  H   2.185526  -0.057076  -1.352815     14.000
  H   1.700885   2.118824  -0.485073     15.000
  H  -0.099311   2.756390   0.898261      9.000
  H  -1.862278   1.382097   1.742455     10.000
  H  -2.202176  -0.923687   1.383818     11.000
  H  -0.850909  -2.423979   0.100994     12.000
  H  -0.745643   0.003409  -1.551870     16.000
  H   0.095907  -1.504571  -2.249188     17.000
 17
 Energy -309.58929233    Point 91   Kin_en 82.6566
  C   0.898796  -1.237809  -0.138029      5.000
  C   1.276643   0.005817  -0.751893      4.000
  C   0.964342   1.361985  -0.214317      3.000
  C  -0.065719   1.712675   0.581909      2.000
  C  -1.144408   0.871845   1.098367      1.000
  C  -1.353323  -0.444642   0.895375      7.000
  C  -0.510262  -1.387103   0.103724      6.000
  C  -0.041850  -0.817364  -1.418086      8.000
  H   1.489695  -2.130099  -0.356572     13.000
  H   2.185506  -0.057071  -1.352858     12.000
  H   1.700924   2.118809  -0.485009     11.000
  H  -0.099274   2.756374   0.898317     10.000
  H  -1.862319   1.382112   1.742399      9.000
  H  -2.202218  -0.923674   1.383756     15.000
  H  -0.850882  -2.423981   0.101037     14.000
  H  -0.745707   0.003359  -1.551839     16.000
  H   0.095900  -1.504578  -2.249183     17.000
 17
 Energy -309.59297243    Point 92   Kin_en 80.5907
  C   0.903743  -1.228810  -0.151381      5.000
  C   1.326019   0.012050  -0.695017      4.000
  C   0.980594   1.357235  -0.223050      3.000
  C  -0.054332   1.714254   0.575377      2.000
  C  -1.135529   0.886274   1.096563      1.000
  C  -1.349160  -0.429963   0.896820      7.000
  C  -0.538665  -1.372865   0.052083      6.000
  C  -0.119313  -0.877801  -1.391289      8.000
  H   1.498370  -2.120885  -0.356530     13.000
  H   2.219838  -0.054268  -1.320334     12.000
  H   1.691612   2.124217  -0.530289     11.000
  H  -0.088204   2.763325   0.875298     10.000
  H  -1.842228   1.401361   1.748725      9.000
  H  -2.179387  -0.907938   1.418367     15.000
  H  -0.861480  -2.413921   0.093347     14.000
  H  -0.621105   0.061842  -1.619406     16.000
  H   0.023540  -1.572595  -2.215544     17.000
 17
 Energy -309.60184856    Point 93   Kin_en 79.3543
  C   0.895516  -1.217676  -0.187469      5.000
  C   1.382424   0.027871  -0.637656      4.000
  C   0.999892   1.352732  -0.231368      3.000
  C  -0.044259   1.714066   0.572594      2.000
  C  -1.120165   0.900441   1.100396      1.000
  C  -1.340335  -0.419854   0.902820      7.000
  C  -0.574082  -1.361147   0.022345      6.000
  C  -0.194459  -0.934988  -1.384831      8.000
  H   1.495914  -2.111742  -0.357085     13.000
  H   2.283988  -0.041451  -1.253502     12.000
  H   1.677938   2.135815  -0.570721     11.000
  H  -0.079292   2.768045   0.857116     10.000
  H  -1.814616   1.418088   1.763552      9.000
  H  -2.153144  -0.891423   1.458239     15.000
  H  -0.874221  -2.406271   0.108259     14.000
  H  -0.523380   0.057395  -1.687641     16.000
  H  -0.067158  -1.660074  -2.185582     17.000
 17
 Energy -309.61294883    Point 94   Kin_en 79.04
  C   0.878588  -1.203634  -0.242969      5.000
  C   1.439183   0.044906  -0.581950      4.000
  C   1.020256   1.351344  -0.237888      3.000
  C  -0.037586   1.714008   0.569178      2.000
  C  -1.102614   0.913658   1.106369      1.000
  C  -1.329283  -0.412758   0.911563      7.000
  C  -0.613029  -1.351814   0.009209      6.000
  C  -0.256398  -0.988564  -1.388981      8.000
  H   1.479797  -2.104685  -0.357268     13.000
  H   2.376043  -0.026900  -1.143429     12.000
  H   1.672403   2.149407  -0.592545     11.000
  H  -0.072744   2.771148   0.844203     10.000
  H  -1.784207   1.431693   1.782531      9.000
  H  -2.120338  -0.878049   1.504291     15.000
  H  -0.885454  -2.399911   0.140297     14.000
  H  -0.476486   0.014807  -1.743769     16.000
  H  -0.178500  -1.757002  -2.155199     17.000
 17
 Energy -309.62388424    Point 95   Kin_en 79.4677
  C   0.861471  -1.187909  -0.312800      5.000
  C   1.489325   0.058533  -0.528222      4.000
  C   1.040892   1.352894  -0.240935      3.000
  C  -0.035483   1.715894   0.561091      2.000
  C  -1.086531   0.926205   1.110114      1.000
  C  -1.317342  -0.408004   0.921804      7.000
  C  -0.653645  -1.344521   0.005884      6.000
  C  -0.303421  -1.038338  -1.392909      8.000
  H   1.455450  -2.099170  -0.359178     13.000
  H   2.477193  -0.016981  -0.994341     12.000
  H   1.686500   2.160508  -0.586051     11.000
  H  -0.068104   2.774190   0.833614     10.000
  H  -1.755048   1.443364   1.799991      9.000
  H  -2.080052  -0.868619   1.555425     15.000
  H  -0.893399  -2.393802   0.183237     14.000
  H  -0.472219  -0.041474  -1.789438     16.000
  H  -0.293949  -1.848099  -2.120036     17.000
 17
 Energy -309.63303000    Point 96   Kin_en 80.338
  C   0.850728  -1.171926  -0.393923      5.000
  C   1.529333   0.067346  -0.477234      4.000
  C   1.062501   1.356101  -0.236917      3.000
  C  -0.038193   1.721199   0.545773      2.000
  C  -1.073679   0.938001   1.108406      1.000
  C  -1.304166  -0.405551   0.934414      7.000
  C  -0.694865  -1.340922   0.010886      6.000
  C  -0.339017  -1.081860  -1.393274      8.000
  H   1.429565  -2.093849  -0.374018     13.000
  H   2.567818  -0.014347  -0.815545     12.000
  H   1.722265   2.167300  -0.546075     11.000
  H  -0.069375   2.780053   0.816633     10.000
  H  -1.729625   1.454168   1.811238      9.000
  H  -2.032119  -0.862056   1.611423     15.000
  H  -0.897900  -2.389809   0.230899     14.000
  H  -0.506508  -0.097995  -1.822285     16.000
  H  -0.396504  -1.924443  -2.080697     17.000
 17
 Energy -309.63957142    Point 97   Kin_en 80.9925
  C   0.852479  -1.156265  -0.480615      5.000
  C   1.558502   0.069310  -0.431745      4.000
  C   1.086317   1.358899  -0.219561      3.000
  C  -0.046143   1.730866   0.520544      2.000
  C  -1.066147   0.948463   1.097380      1.000
  C  -1.288934  -0.405776   0.951129      7.000
  C  -0.733420  -1.344525   0.023059      6.000
  C  -0.370834  -1.112759  -1.388016      8.000
  H   1.412425  -2.088149  -0.416944     13.000
  H   2.632141  -0.022337  -0.629420     12.000
  H   1.774199   2.167268  -0.471918     11.000
  H  -0.085187   2.792158   0.779759     10.000
  H  -1.713651   1.466046   1.807468      9.000
  H  -1.977142  -0.856265   1.672812     15.000
  H  -0.896665  -2.392343   0.278433     14.000
  H  -0.573921  -0.141531  -1.833579     16.000
  H  -0.474799  -1.975188  -2.045981     17.000
 17
 Energy -309.64383266    Point 98   Kin_en 80.6912
  C   0.866950  -1.140506  -0.564521      5.000
  C   1.580519   0.064221  -0.394633      4.000
  C   1.111173   1.357443  -0.186681      3.000
  C  -0.059574   1.741419   0.485271      2.000
  C  -1.067494   0.956088   1.073288      1.000
  C  -1.270893  -0.410482   0.972331      7.000
  C  -0.765072  -1.355662   0.041226      6.000
  C  -0.402014  -1.122282  -1.373431      8.000
  H   1.411360  -2.081616  -0.493456     13.000
  H   2.668124  -0.040905  -0.473704     12.000
  H   1.828071   2.159014  -0.375094     11.000
  H  -0.119407   2.807976   0.715871     10.000
  H  -1.717508   1.480062   1.777152      9.000
  H  -1.917564  -0.850729   1.737664     15.000
  H  -0.889912  -2.403306   0.318683     14.000
  H  -0.653651  -0.157579  -1.812020     16.000
  H  -0.533252  -1.987365  -2.024374     17.000
 17
 Energy -309.64654027    Point 99   Kin_en 79.521
  C   0.890827  -1.123015  -0.640708      5.000
  C   1.602435   0.055408  -0.366068      4.000
  C   1.132438   1.349480  -0.147010      3.000
  C  -0.077059   1.744753   0.444635      2.000
  C  -1.079590   0.958789   1.038130      1.000
  C  -1.253788  -0.420143   0.997002      7.000
  C  -0.791425  -1.369600   0.064451      6.000
  C  -0.426058  -1.108404  -1.348087      8.000
  H   1.424504  -2.072394  -0.591189     13.000
  H   2.691361  -0.061494  -0.367287     12.000
  H   1.868464   2.146378  -0.276437     11.000
  H  -0.163080   2.817154   0.634815     10.000
  H  -1.744889   1.494718   1.719227      9.000
  H  -1.862313  -0.845157   1.801340     15.000
  H  -0.885809  -2.419247   0.347003     14.000
  H  -0.718720  -0.140641  -1.757311     16.000
  H  -0.583075  -1.958417  -2.014360     17.000
 17
 Energy -309.64799909    Point 100   Kin_en 78.3146
  C   0.924054  -1.102325  -0.708036      5.000
  C   1.629893   0.046769  -0.344859      4.000
  C   1.147436   1.336819  -0.110331      3.000
  C  -0.096786   1.736424   0.401929      2.000
  C  -1.098917   0.955410   1.000331      1.000
  C  -1.246451  -0.432629   1.023459      7.000
  C  -0.819460  -1.381821   0.089867      6.000
  C  -0.436580  -1.078838  -1.313573      8.000
  H   1.451454  -2.057339  -0.699425     13.000
  H   2.716820  -0.074220  -0.298149     12.000
  H   1.889191   2.135759  -0.190009     11.000
  H  -0.208099   2.813437   0.546096     10.000
  H  -1.785357   1.508275   1.646948      9.000
  H  -1.824978  -0.838333   1.859144     15.000
  H  -0.897735  -2.435379   0.363417     14.000
  H  -0.755863  -0.101438  -1.682019     16.000
  H  -0.623387  -1.901040  -2.007815     17.000
 17
 Energy -309.64799909    Point 101   Kin_en 76.9176
  C   0.918669  -1.095569  -0.738101      6.000
  C   1.632530   0.041714  -0.348398      7.000
  C   1.162484   1.328047  -0.077548      1.000
  C  -0.093336   1.737086   0.399878      2.000
  C  -1.117417   0.963823   0.968654      3.000
  C  -1.243508  -0.426496   1.024428      4.000
  C  -0.797801  -1.386042   0.112759      5.000
  C  -0.455017  -1.082183  -1.304534      8.000
  H   1.449919  -2.048688  -0.754769     14.000
  H   2.718141  -0.089748  -0.305650     15.000
  H   1.916708   2.118308  -0.117598      9.000
  H  -0.200616   2.814799   0.541870     10.000
  H  -1.828971   1.523418   1.581353     11.000
  H  -1.822539  -0.821821   1.865068     12.000
  H  -0.853907  -2.437144   0.399662     13.000
  H  -0.801964  -0.109424  -1.660026     16.000
  H  -0.655398  -1.906784  -1.992114     17.000
 17
 Energy -309.64654027    Point 102   Kin_en 74.8782
  C   0.871693  -1.100482  -0.731713      6.000
  C   1.612198   0.044088  -0.376023      7.000
  C   1.184453   1.325650  -0.047201      1.000
  C  -0.065379   1.746879   0.438114      2.000
  C  -1.131595   0.983093   0.937095      3.000
  C  -1.243295  -0.405212   0.997445      4.000
  C  -0.726967  -1.385106   0.135059      5.000
  C  -0.490006  -1.119464  -1.316860      8.000
  H   1.414116  -2.046946  -0.753735     14.000
  H   2.696233  -0.106652  -0.382458     15.000
  H   1.960097   2.095078  -0.056821      9.000
  H  -0.146067   2.820242   0.625171     10.000
  H  -1.872224   1.541006   1.514790     11.000
  H  -1.859411  -0.797981   1.813264     12.000
  H  -0.760449  -2.426222   0.456836     13.000
  H  -0.878559  -0.167434  -1.680648     16.000
  H  -0.685929  -1.976125  -1.964040     17.000
 17
 Energy -309.64383266    Point 103   Kin_en 72.0703
  C   0.830994  -1.100317  -0.723607      6.000
  C   1.600683   0.049712  -0.405504      7.000
  C   1.208299   1.321068  -0.019802      1.000
  C  -0.038685   1.745184   0.473720      2.000
  C  -1.147629   0.995957   0.896227      3.000
  C  -1.254289  -0.389584   0.965858      4.000
  C  -0.653661  -1.384239   0.166285      5.000
  C  -0.524584  -1.143092  -1.313620      8.000
  H   1.384513  -2.039206  -0.770808     14.000
  H   2.680996  -0.113614  -0.468642     15.000
  H   1.997364   2.075854  -0.007075      9.000
  H  -0.099445   2.811796   0.703829     10.000
  H  -1.921027   1.558974   1.422371     11.000
  H  -1.932196  -0.777194   1.734226     12.000
  H  -0.681534  -2.416830   0.512839     13.000
  H  -0.956994  -0.207689  -1.666294     16.000
  H  -0.723250  -2.019529  -1.931445     17.000
 17
 Energy -309.63957142    Point 104   Kin_en 68.197
  C   0.795902  -1.100097  -0.708880      6.000
  C   1.594121   0.056240  -0.431588      7.000
  C   1.227704   1.316517  -0.004471      1.000
  C  -0.017383   1.736164   0.504408      2.000
  C  -1.158824   0.999813   0.855803      3.000
  C  -1.271193  -0.383477   0.925824      4.000
  C  -0.576867  -1.385332   0.206734      5.000
  C  -0.556027  -1.144228  -1.297659      8.000
  H   1.355489  -2.032055  -0.798899     14.000
  H   2.668370  -0.111621  -0.554907     15.000
  H   2.021578   2.065400   0.013358      9.000
  H  -0.067467   2.796040   0.767486     10.000
  H  -1.965861   1.568942   1.319602     11.000
  H  -2.035094  -0.769041   1.609908     12.000
  H  -0.621961  -2.413819   0.561957     13.000
  H  -1.024187  -0.215962  -1.617352     16.000
  H  -0.776573  -2.026174  -1.898523     17.000
 17
 Energy -309.63303000    Point 105   Kin_en 63.5402
  C   0.766456  -1.105231  -0.687048      6.000
  C   1.590476   0.063143  -0.452607      7.000
  C   1.239553   1.313279  -0.002557      1.000
  C  -0.005623   1.727544   0.526696      2.000
  C  -1.160670   0.997095   0.826255      3.000
  C  -1.287679  -0.387909   0.873246      4.000
  C  -0.501857  -1.390845   0.256929      5.000
  C  -0.582705  -1.123958  -1.274261      8.000
  H   1.325614  -2.030757  -0.830361     14.000
  H   2.656300  -0.102720  -0.634706     15.000
  H   2.031119   2.064296   0.005227      9.000
  H  -0.054040   2.784162   0.803693     10.000
  H  -1.997054   1.566388   1.232797     11.000
  H  -2.140021  -0.775215   1.441655     12.000
  H  -0.591453  -2.420523   0.599166     13.000
  H  -1.064993  -0.191723  -1.554319     16.000
  H  -0.855467  -2.002636  -1.856775     17.000
 17
 Energy -309.62388424    Point 106   Kin_en 58.5705
  C   0.744861  -1.115731  -0.659809      6.000
  C   1.589539   0.070269  -0.469049      7.000
  C   1.245728   1.311041  -0.009566      1.000
  C  -0.002433   1.722978   0.540110      2.000
  C  -1.155447   0.992891   0.806808      3.000
  C  -1.299774  -0.399291   0.807273      4.000
  C  -0.436346  -1.401139   0.312278      5.000
  C  -0.608491  -1.092418  -1.243690      8.000
  H   1.297639  -2.034835  -0.858841     14.000
  H   2.644913  -0.091042  -0.704708     15.000
  H   2.031262   2.068121  -0.017572      9.000
  H  -0.053590   2.779055   0.818330     10.000
  H  -2.012881   1.553598   1.179057     11.000
  H  -2.220040  -0.788333   1.255167     12.000
  H  -0.584024  -2.433854   0.623807     13.000
  H  -1.072488  -0.145038  -1.501844     16.000
  H  -0.955209  -1.962624  -1.797806     17.000
 17
 Energy -309.61294883    Point 107   Kin_en 53.5466
  C   0.732423  -1.128358  -0.627419      6.000
  C   1.590814   0.076197  -0.481471      7.000
  C   1.249148   1.309107  -0.021140      1.000
  C  -0.004498   1.722040   0.545669      2.000
  C  -1.147353   0.990350   0.791474      3.000
  C  -1.307043  -0.413695   0.729677      4.000
  C  -0.382863  -1.414166   0.365013      5.000
  C  -0.638305  -1.058205  -1.202098      8.000
  H   1.274203  -2.040664  -0.880557     14.000
  H   2.634520  -0.081781  -0.763093     15.000
  H   2.027957   2.072662  -0.044921      9.000
  H  -0.057923   2.777371   0.824669     10.000
  H  -2.017032   1.534125   1.160185     11.000
  H  -2.269557  -0.803397   1.075823     12.000
  H  -0.584648  -2.449051   0.638335     13.000
  H  -1.046126  -0.087608  -1.471711     16.000
  H  -1.060653  -1.913136  -1.725898     17.000
 17
 Energy -309.60184856    Point 108   Kin_en 48.5715
  C   0.729875  -1.141393  -0.589319      6.000
  C   1.593901   0.080153  -0.490828      7.000
  C   1.251782   1.307020  -0.034278      1.000
  C  -0.008936   1.723711   0.544597      2.000
  C  -1.138614   0.991081   0.777508      3.000
  C  -1.311096  -0.429863   0.643988      4.000
  C  -0.340828  -1.427067   0.408833      5.000
  C  -0.676894  -1.025236  -1.149121      8.000
  H   1.258794  -2.046323  -0.891132     14.000
  H   2.625781  -0.077148  -0.810212     15.000
  H   2.024515   2.076048  -0.072725      9.000
  H  -0.060915   2.776668   0.830308     10.000
  H  -2.012111   1.510662   1.171415     11.000
  H  -2.293566  -0.820461   0.925196     12.000
  H  -0.581345  -2.463826   0.645231     13.000
  H  -0.981963  -0.030831  -1.469746     16.000
  H  -1.160248  -1.858358  -1.654526     17.000
 17
 Energy -309.59297243    Point 109   Kin_en 43.6951
  C   0.742538  -1.153754  -0.543246      6.000
  C   1.598355   0.081186  -0.498052      7.000
  C   1.254760   1.304153  -0.046045      1.000
  C  -0.012059   1.726714   0.539436      2.000
  C  -1.129832   0.995082   0.765958      3.000
  C  -1.315810  -0.445066   0.558641      4.000
  C  -0.308587  -1.436977   0.435329      5.000
  C  -0.733405  -0.995394  -1.091680      8.000
  H   1.256024  -2.051715  -0.889241     14.000
  H   2.618594  -0.076261  -0.850287     15.000
  H   2.023001   2.076872  -0.098643      9.000
  H  -0.058428   2.776382   0.835572     10.000
  H  -1.998217   1.489748   1.201180     11.000
  H  -2.300254  -0.837591   0.825337     12.000
  H  -0.567909  -2.476593   0.643700     13.000
  H  -0.869293   0.004522  -1.502126     16.000
  H  -1.246094  -1.809614  -1.598371     17.000
 17
 Energy -309.58929233    Point 110   Kin_en 39.1061
  C   0.775697  -1.163556  -0.489501      6.000
  C   1.603482   0.077519  -0.503711      7.000
  C   1.257597   1.300663  -0.053969      1.000
  C  -0.010460   1.729506   0.533753      2.000
  C  -1.121095   0.998943   0.759044      3.000
  C  -1.324979  -0.453130   0.484045      4.000
  C  -0.284422  -1.443834   0.439890      5.000
  C  -0.810518  -0.968159  -1.042368      8.000
  H   1.270920  -2.056017  -0.876039     14.000
  H   2.611104  -0.074586  -0.891231     15.000
  H   2.023063   2.075317  -0.121209      9.000
  H  -0.049462   2.776217   0.839402     10.000
  H  -1.977265   1.477152   1.235385     11.000
  H  -2.298635  -0.848830   0.778258     12.000
  H  -0.545310  -2.485961   0.637411     13.000
  H  -0.727617  -0.013323  -1.560349     16.000
  H  -1.322477  -1.778142  -1.555970     17.000
 17
 Energy -309.58929233    Point 111   Kin_en 39.1062
  C   0.775687  -1.163555  -0.489535      4.000
  C   1.603487   0.077516  -0.503695      3.000
  C   1.257605   1.300658  -0.053947      2.000
  C  -0.010468   1.729511   0.533733      1.000
  C  -1.121100   0.998946   0.759031      7.000
  C  -1.324961  -0.453134   0.484074      6.000
  C  -0.284418  -1.443837   0.439886      5.000
  C  -0.810522  -0.968156  -1.042368      8.000
  H   1.270903  -2.056014  -0.876090     12.000
  H   2.611129  -0.074599  -0.891162     11.000
  H   2.023086   2.075301  -0.121143     10.000
  H  -0.049486   2.776235   0.839343      9.000
  H  -1.977292   1.477167   1.235318     15.000
  H  -2.298611  -0.848835   0.778303     14.000
  H  -0.545315  -2.485959   0.637411     13.000
  H  -0.727694  -0.013294  -1.560315     16.000
  H  -1.322488  -1.778136  -1.555967     17.000
 17
 Energy -309.59297243    Point 112   Kin_en 35.1493
  C   0.827866  -1.170164  -0.432290      4.000
  C   1.609559   0.068718  -0.507939      3.000
  C   1.259036   1.297754  -0.057801      2.000
  C  -0.002977   1.730937   0.530288      1.000
  C  -1.112439   0.999128   0.757371      7.000
  C  -1.339172  -0.449602   0.426738      6.000
  C  -0.268986  -1.448293   0.423952      5.000
  C  -0.898582  -0.944599  -1.010316      8.000
  H   1.311291  -2.059755  -0.843702     12.000
  H   2.602321  -0.066399  -0.937322     11.000
  H   2.021850   2.074115  -0.141628     10.000
  H  -0.034932   2.775070   0.844643      9.000
  H  -1.952657   1.471630   1.267784     15.000
  H  -2.295274  -0.850283   0.765910     14.000
  H  -0.519932  -2.489728   0.633487     13.000
  H  -0.609914  -0.090832  -1.622290     16.000
  H  -1.407484  -1.762556  -1.514804     17.000
 17
 Energy -309.60184856    Point 113   Kin_en 32.1416
  C   0.892264  -1.175704  -0.374249      4.000
  C   1.618223   0.057546  -0.511120      3.000
  C   1.258587   1.296227  -0.060009      2.000
  C   0.009039   1.730787   0.529840      1.000
  C  -1.103609   0.996130   0.760022      7.000
  C  -1.357127  -0.434669   0.389946      6.000
  C  -0.264042  -1.449302   0.386828      5.000
  C  -0.985290  -0.930915  -0.996180      8.000
  H   1.384948  -2.067074  -0.773764     12.000
  H   2.595744  -0.050894  -0.981033     11.000
  H   2.017805   2.075000  -0.160756     10.000
  H  -0.016636   2.771911   0.854490      9.000
  H  -1.925042   1.468328   1.302057     15.000
  H  -2.292073  -0.842822   0.776001     14.000
  H  -0.501961  -2.484640   0.631918     13.000
  H  -0.554141  -0.190895  -1.667885     16.000
  H  -1.518837  -1.751700  -1.470310     17.000
 17
 Energy -309.61294883    Point 114   Kin_en 30.1722
  C   0.957283  -1.181201  -0.316707      4.000
  C   1.630363   0.047223  -0.513155      3.000
  C   1.256295   1.296450  -0.064361      2.000
  C   0.022692   1.729962   0.530373      1.000
  C  -1.094801   0.991929   0.765373      7.000
  C  -1.377411  -0.412332   0.368799      6.000
  C  -0.266342  -1.448934   0.330667      5.000
  C  -1.061938  -0.929444  -0.990298      8.000
  H   1.484694  -2.077791  -0.657421     12.000
  H   2.598895  -0.035296  -1.006226     11.000
  H   2.012505   2.077486  -0.176383     10.000
  H   0.002785   2.767462   0.867008      9.000
  H  -1.894033   1.463055   1.342314     15.000
  H  -2.287035  -0.829550   0.802872     14.000
  H  -0.496030  -2.470298   0.631445     13.000
  H  -0.557693  -0.276013  -1.697287     16.000
  H  -1.651613  -1.734162  -1.424308     17.000
 17
 Energy -309.62388424    Point 115   Kin_en 29.145
  C   1.014349  -1.184793  -0.260567      4.000
  C   1.645517   0.038802  -0.512440      3.000
  C   1.252444   1.298562  -0.074154      2.000
  C   0.035558   1.729124   0.528794      1.000
  C  -1.086347   0.987060   0.772751      7.000
  C  -1.399580  -0.385978   0.356677      6.000
  C  -0.270516  -1.452585   0.260619      5.000
  C  -1.125835  -0.935909  -0.983349      8.000
  H   1.591618  -2.083487  -0.501321     12.000
  H   2.617998  -0.026606  -1.000453     11.000
  H   2.007585   2.080699  -0.189682     10.000
  H   0.021407   2.762463   0.878520      9.000
  H  -1.859275   1.453720   1.389337     15.000
  H  -2.279368  -0.813165   0.839806     14.000
  H  -0.499113  -2.451496   0.628423     13.000
  H  -0.598271  -0.336247  -1.719247     16.000
  H  -1.783549  -1.708483  -1.377122     17.000
 17
 Energy -309.63303000    Point 116   Kin_en 28.9364
  C   1.059811  -1.185378  -0.206950      4.000
  C   1.663688   0.032409  -0.505115      3.000
  C   1.247561   1.302682  -0.091993      2.000
  C   0.045964   1.728080   0.522324      1.000
  C  -1.077833   0.981417   0.783293      7.000
  C  -1.424233  -0.357906   0.352837      6.000
  C  -0.272450  -1.464730   0.180716      5.000
  C  -1.177231  -0.944578  -0.973894      8.000
  H   1.688553  -2.075411  -0.316968     12.000
  H   2.653920  -0.024956  -0.957951     11.000
  H   2.001122   2.086114  -0.209854     10.000
  H   0.037658   2.757311   0.884654      9.000
  H  -1.819877   1.440470   1.443060     15.000
  H  -2.271107  -0.797263   0.881572     14.000
  H  -0.507076  -2.436286   0.612482     13.000
  H  -0.663758  -0.365004  -1.735821     16.000
  H  -1.896666  -1.680337  -1.330083     17.000
 17
 Energy -309.63957142    Point 117   Kin_en 29.237
  C   1.091423  -1.184872  -0.158146      4.000
  C   1.684984   0.028421  -0.484685      3.000
  C   1.241515   1.308836  -0.120748      2.000
  C   0.051427   1.726359   0.507477      1.000
  C  -1.068727   0.974585   0.799160      7.000
  C  -1.451543  -0.333116   0.358107      6.000
  C  -0.267177  -1.487883   0.097350      5.000
  C  -1.216832  -0.945170  -0.963490      8.000
  H   1.759019  -2.052933  -0.127113     12.000
  H   2.700960  -0.027215  -0.878413     11.000
  H   1.987420   2.097160  -0.252003     10.000
  H   0.047553   2.753751   0.876029      9.000
  H  -1.774716   1.424792   1.503640     15.000
  H  -2.264127  -0.788316   0.925810     14.000
  H  -0.513788  -2.437054   0.570911     13.000
  H  -0.740562  -0.354487  -1.742795     16.000
  H  -1.976520  -1.653499  -1.293115     17.000
 17
 Energy -309.64383266    Point 118   Kin_en 29.7259
  C   1.111205  -1.187241  -0.116544      4.000
  C   1.706032   0.026045  -0.448312      3.000
  C   1.231738   1.314911  -0.159388      2.000
  C   0.048082   1.723933   0.480979      1.000
  C  -1.059538   0.964930   0.821815      7.000
  C  -1.478792  -0.315107   0.372475      6.000
  C  -0.253130  -1.518763   0.017953      5.000
  C  -1.240574  -0.928283  -0.952214      8.000
  H   1.796547  -2.028874   0.032278     12.000
  H   2.746387  -0.028532  -0.774871     11.000
  H   1.961125   2.112209  -0.322522     10.000
  H   0.043286   2.755124   0.840302      9.000
  H  -1.725107   1.407704   1.569281     15.000
  H  -2.260606  -0.790107   0.966837     14.000
  H  -0.514228  -2.460625   0.499458     13.000
  H  -0.803119  -0.305345  -1.731263     16.000
  H  -2.018495  -1.619160  -1.279090     17.000
 17
 Energy -309.64654027    Point 119   Kin_en 30.4277
  C   1.126191  -1.195751  -0.082142      4.000
  C   1.720839   0.023367  -0.404093      3.000
  C   1.214540   1.316215  -0.200686      2.000
  C   0.033840   1.721463   0.444888      1.000
  C  -1.053160   0.954637   0.849732      7.000
  C  -1.503947  -0.299683   0.393252      6.000
  C  -0.231289  -1.552044  -0.053919      5.000
  C  -1.242566  -0.896213  -0.938219      8.000
  H   1.815379  -2.016401   0.143651     12.000
  H   2.779264  -0.024380  -0.670529     11.000
  H   1.923174   2.121636  -0.407432     10.000
  H   0.021746   2.762572   0.776069      9.000
  H  -1.677450   1.394217   1.633906     15.000
  H  -2.264614  -0.796011   0.997857     14.000
  H  -0.507285  -2.499808   0.408851     13.000
  H  -0.828749  -0.232190  -1.698159     16.000
  H  -2.028851  -1.566818  -1.289133     17.000
 17
 Energy -309.64799909    Point 120   Kin_en 31.543
  C   1.143062  -1.211694  -0.053604      4.000
  C   1.727623   0.019312  -0.361679      3.000
  C   1.188845   1.309674  -0.239757      2.000
  C   0.011641   1.718971   0.407546      1.000
  C  -1.054683   0.950820   0.878556      7.000
  C  -1.529293  -0.279819   0.414710      6.000
  C  -0.200874  -1.586245  -0.117421      5.000
  C  -1.223725  -0.858698  -0.919293      8.000
  H   1.834274  -2.015763   0.218298     12.000
  H   2.798044  -0.012478  -0.580872     11.000
  H   1.876732   2.119055  -0.494407     10.000
  H  -0.008894   2.772831   0.697253      9.000
  H  -1.641378   1.393178   1.689585     15.000
  H  -2.282682  -0.793258   1.014483     14.000
  H  -0.490242  -2.548169   0.308307     13.000
  H  -0.816613  -0.155466  -1.649175     16.000
  H  -2.014554  -1.501962  -1.311323     17.000
 17
 Energy -309.64799909    Point 121   Kin_en 31.6116
  C   1.141795  -1.217052  -0.058005      7.000
  C   1.736027   0.017218  -0.327115      1.000
  C   1.190372   1.308316  -0.239594      2.000
  C  -0.000521   1.724745   0.375665      3.000
  C  -1.048212   0.950529   0.880574      4.000
  C  -1.513473  -0.290995   0.441628      5.000
  C  -0.202746  -1.589017  -0.151450      6.000
  C  -1.238074  -0.843968  -0.913705      8.000
  H   1.825085  -2.028329   0.211445     15.000
  H   2.814097  -0.013128  -0.505484      9.000
  H   1.880555   2.115591  -0.494720     10.000
  H  -0.038974   2.787247   0.629565     11.000
  H  -1.627118   1.399552   1.693887     12.000
  H  -2.246938  -0.814980   1.056237     13.000
  H  -0.490239  -2.562541   0.249224     14.000
  H  -0.853221  -0.118317  -1.633653     16.000
  H  -2.039194  -1.476835  -1.301744     17.000
 17
 Energy -309.64654027    Point 122   Kin_en 30.4187
  C   1.126869  -1.209770  -0.095611      7.000
  C   1.753041   0.015066  -0.298538      1.000
  C   1.219675   1.311550  -0.200086      2.000
  C  -0.002549   1.733828   0.344908      3.000
  C  -1.035891   0.949201   0.854882      4.000
  C  -1.458300  -0.334737   0.475976      5.000
  C  -0.237036  -1.557296  -0.157968      6.000
  C  -1.291380  -0.845768  -0.918932      8.000
  H   1.791056  -2.050038   0.129560     15.000
  H   2.835383  -0.030214  -0.440737      9.000
  H   1.929859   2.115877  -0.405771     10.000
  H  -0.068011   2.801543   0.566786     11.000
  H  -1.641179   1.412179   1.641459     12.000
  H  -2.162241  -0.858976   1.122680     13.000
  H  -0.510515  -2.538212   0.233846     14.000
  H  -0.954071  -0.104218  -1.644192     16.000
  H  -2.106500  -1.487015  -1.258757     17.000
 17
 Energy -309.64383266    Point 123   Kin_en 29.2662
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  C   1.769762   0.008295  -0.271057      1.000
  C   1.240699   1.306639  -0.157911      2.000
  C  -0.010953   1.736860   0.308876      3.000
  C  -1.036025   0.950452   0.825344      4.000
  C  -1.400398  -0.376916   0.517553      5.000
  C  -0.263938  -1.525822  -0.164499      6.000
  C  -1.333021  -0.832329  -0.915275      8.000
  H   1.766062  -2.073648   0.035701     15.000
  H   2.854157  -0.046110  -0.387743      9.000
  H   1.964933   2.109733  -0.315480     10.000
  H  -0.103197   2.810942   0.481497     11.000
  H  -1.686602   1.437890   1.559743     12.000
  H  -2.089610  -0.894641   1.183937     13.000
  H  -0.526049  -2.520547   0.198742     14.000
  H  -1.038903  -0.063513  -1.628543     16.000
  H  -2.160154  -1.472868  -1.223300     17.000
 17
 Energy -309.63957142    Point 124   Kin_en 27.8821
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  C   1.782036  -0.000858  -0.254638      1.000
  C   1.253235   1.297925  -0.117409      2.000
  C  -0.021302   1.731222   0.278054      3.000
  C  -1.048020   0.947285   0.790217      4.000
  C  -1.340527  -0.419329   0.567282      5.000
  C  -0.286856  -1.495597  -0.164584      6.000
  C  -1.355236  -0.800975  -0.907809      8.000
  H   1.747512  -2.093571  -0.061148     15.000
  H   2.866281  -0.059775  -0.365644      9.000
  H   1.984389   2.101786  -0.236904     10.000
  H  -0.141256   2.809665   0.391619     11.000
  H  -1.768357   1.461555   1.435830     12.000
  H  -2.037037  -0.923437   1.235677     13.000
  H  -0.544828  -2.506953   0.152270     14.000
  H  -1.088239   0.003257  -1.589702     16.000
  H  -2.199864  -1.422520  -1.204106     17.000
 17
 Energy -309.63303000    Point 125   Kin_en 26.2762
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  C   1.788357  -0.009469  -0.250770      1.000
  C   1.258930   1.292193  -0.084734      2.000
  C  -0.027667   1.718964   0.261620      3.000
  C  -1.069024   0.933388   0.746408      4.000
  C  -1.284341  -0.460243   0.625275      5.000
  C  -0.309041  -1.470106  -0.155914      6.000
  C  -1.357789  -0.755726  -0.901030      8.000
  H   1.733923  -2.106952  -0.153619     15.000
  H   2.871053  -0.068541  -0.373020      9.000
  H   1.991050   2.098032  -0.185411     10.000
  H  -0.175458   2.797475   0.323932     11.000
  H  -1.868112   1.464162   1.274910     12.000
  H  -2.014875  -0.942774   1.272479     13.000
  H  -0.570041  -2.497027   0.103134     14.000
  H  -1.092936   0.078287  -1.544745     16.000
  H  -2.235205  -1.330976  -1.192624     17.000
 17
 Energy -309.62388424    Point 126   Kin_en 24.5812
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  C   1.790438  -0.016462  -0.254599      1.000
  C   1.260287   1.291646  -0.060864      2.000
  C  -0.028973   1.704385   0.257026      3.000
  C  -1.094241   0.907682   0.692303      4.000
  C  -1.238252  -0.497113   0.686088      5.000
  C  -0.328500  -1.451706  -0.140208      6.000
  C  -1.350001  -0.700962  -0.892499      8.000
  H   1.724148  -2.114577  -0.237368     15.000
  H   2.871037  -0.072333  -0.394169      9.000
  H   1.990589   2.099827  -0.154805     10.000
  H  -0.201795   2.779983   0.294121     11.000
  H  -1.958657   1.440476   1.101899     12.000
  H  -2.016730  -0.955952   1.293374     13.000
  H  -0.597377  -2.490370   0.056799     14.000
  H  -1.058128   0.141719  -1.512310     16.000
  H  -2.270407  -1.208099  -1.175657     17.000
 17
 Energy -309.61294883    Point 127   Kin_en 22.839
  C   1.120304  -1.205107  -0.246874      7.000
  C   1.790417  -0.022129  -0.261719      1.000
  C   1.259105   1.294574  -0.043962      2.000
  C  -0.027188   1.690146   0.257507      3.000
  C  -1.120348   0.872803   0.628464      4.000
  C  -1.203571  -0.530156   0.741643      5.000
  C  -0.341820  -1.439536  -0.119102      6.000
  C  -1.340836  -0.637749  -0.876187      8.000
  H   1.715796  -2.118897  -0.309868     15.000
  H   2.868892  -0.073409  -0.417880      9.000
  H   1.987600   2.104701  -0.130029     10.000
  H  -0.220834   2.761793   0.302861     11.000
  H  -2.028923   1.397919   0.939694     12.000
  H  -2.027871  -0.970126   1.301435     13.000
  H  -0.621184  -2.485394   0.015224     14.000
  H  -0.993459   0.182092  -1.499290     16.000
  H  -2.300085  -1.070693  -1.151965     17.000
 17
 Energy -309.60184856    Point 128   Kin_en 21.0208
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  C   1.789717  -0.026837  -0.269496      1.000
  C   1.256694   1.299037  -0.032688      2.000
  C  -0.023265   1.677901   0.259433      3.000
  C  -1.146856   0.832109   0.557487      4.000
  C  -1.178474  -0.560023   0.785750      5.000
  C  -0.347159  -1.433092  -0.092310      6.000
  C  -1.336673  -0.565784  -0.850274      8.000
  H   1.708056  -2.121811  -0.370916     15.000
  H   2.866140  -0.073469  -0.440185      9.000
  H   1.985368   2.109660  -0.103226     10.000
  H  -0.233579   2.744076   0.344079     11.000
  H  -2.079261   1.346777   0.807745     12.000
  H  -2.037294  -0.991170   1.300668     13.000
  H  -0.636709  -2.482021  -0.017115     14.000
  H  -0.905274   0.187528  -1.506873     16.000
  H  -2.321102  -0.934516  -1.129732     17.000
 17
 Energy -309.59297243    Point 129   Kin_en 18.9347
  C   1.129565  -1.206629  -0.278419      7.000
  C   1.788937  -0.030518  -0.275920      1.000
  C   1.254720   1.302958  -0.025653      2.000
  C  -0.017832   1.668616   0.262305      3.000
  C  -1.173302   0.793074   0.485712      4.000
  C  -1.160151  -0.588066   0.811092      5.000
  C  -0.339406  -1.435028  -0.055928      6.000
  C  -1.346736  -0.483573  -0.820315      8.000
  H   1.701345  -2.124030  -0.423982     15.000
  H   2.863342  -0.073628  -0.459900      9.000
  H   1.985761   2.112061  -0.076448     10.000
  H  -0.237809   2.726979   0.402602     11.000
  H  -2.111249   1.300348   0.725005     12.000
  H  -2.038417  -1.021892   1.292662     13.000
  H  -0.639746  -2.483409  -0.035813     14.000
  H  -0.801958   0.134226  -1.533270     16.000
  H  -2.338156  -0.818729  -1.115773     17.000
 17
 Energy -309.58929233    Point 130   Kin_en 16.5175
  C   1.132560  -1.210283  -0.288809      7.000
  C   1.787987  -0.032012  -0.279768      1.000
  C   1.254732   1.304378  -0.020938      2.000
  C  -0.013203   1.661106   0.267282      3.000
  C  -1.196680   0.765762   0.420432      4.000
  C  -1.147140  -0.615569   0.814985      5.000
  C  -0.313277  -1.448091  -0.008274      6.000
  C  -1.374710  -0.394153  -0.797256      8.000
  H   1.696593  -2.124195  -0.476536     15.000
  H   2.860276  -0.073183  -0.477369      9.000
  H   1.988722   2.111033  -0.054302     10.000
  H  -0.232945   2.711431   0.460011     11.000
  H  -2.127009   1.268547   0.690322     12.000
  H  -2.029437  -1.058209   1.282667     13.000
  H  -0.625897  -2.493328  -0.038159     14.000
  H  -0.718863   0.016064  -1.564377     16.000
  H  -2.362520  -0.728903  -1.104074     17.000
 17
 Energy -309.58929233    Point 131   Kin_en 16.518
  C   1.132564  -1.210283  -0.288793      3.000
  C   1.787990  -0.032013  -0.279746      2.000
  C   1.254727   1.304382  -0.020961      1.000
  C  -0.013208   1.661108   0.267267      7.000
  C  -1.196666   0.765756   0.420462      6.000
  C  -1.147138  -0.615575   0.814984      5.000
  C  -0.313287  -1.448094  -0.008306      4.000
  C  -1.374712  -0.394150  -0.797255      8.000
  H   1.696611  -2.124199  -0.476462     11.000
  H   2.860289  -0.073188  -0.477300     10.000
  H   1.988707   2.111044  -0.054369      9.000
  H  -0.232964   2.711439   0.459938     15.000
  H  -2.126991   1.268540   0.690369     14.000
  H  -2.029439  -1.058205   1.282668     13.000
  H  -0.625911  -2.493330  -0.038206     12.000
  H  -0.718894   0.016144  -1.564361     16.000
  H  -2.362523  -0.728893  -1.104071     17.000
 17
 Energy -309.59297243    Point 132   Kin_en 13.9542
  C   1.133584  -1.217221  -0.294555      3.000
  C   1.786756  -0.030117  -0.281561      2.000
  C   1.257260   1.302449  -0.016839      1.000
  C  -0.011548   1.653430   0.274633      7.000
  C  -1.213537   0.755461   0.366385      6.000
  C  -1.139960  -0.640789   0.799701      5.000
  C  -0.269905  -1.471877   0.047445      4.000
  C  -1.415927  -0.308038  -0.787858      8.000
  H   1.696111  -2.119973  -0.532898     11.000
  H   2.856516  -0.069625  -0.495335     10.000
  H   1.993479   2.107224  -0.036086      9.000
  H  -0.222522   2.697787   0.508205     15.000
  H  -2.130747   1.252738   0.684429     14.000
  H  -2.012313  -1.090698   1.277246     13.000
  H  -0.589261  -2.515253  -0.013455     12.000
  H  -0.695205  -0.129237  -1.584948     16.000
  H  -2.404924  -0.648493  -1.085378     17.000
 17
 Energy -309.60184856    Point 133   Kin_en 11.3647
  C   1.135432  -1.227287  -0.296247      3.000
  C   1.785143  -0.025253  -0.283673      2.000
  C   1.261635   1.297901  -0.012863      1.000
  C  -0.012064   1.645475   0.283066      7.000
  C  -1.222828   0.761992   0.326880      6.000
  C  -1.139447  -0.661427   0.764202      5.000
  C  -0.216034  -1.503325   0.108724      4.000
  C  -1.466024  -0.237700  -0.789965      8.000
  H   1.703269  -2.111750  -0.585057     11.000
  H   2.852019  -0.061934  -0.514933     10.000
  H   1.999010   2.101791  -0.018917      9.000
  H  -0.209184   2.684990   0.551537     15.000
  H  -2.125850   1.250241   0.695542     14.000
  H  -1.992480  -1.109430   1.274327     13.000
  H  -0.525313  -2.551515   0.058372     12.000
  H  -0.729599  -0.245860  -1.591412     16.000
  H  -2.469921  -0.556354  -1.061643     17.000
 17
 Energy -309.61294883    Point 134   Kin_en 8.89361
  C   1.140554  -1.239160  -0.295401      3.000
  C   1.783059  -0.018891  -0.289041      2.000
  C   1.266809   1.292162  -0.009677      1.000
  C  -0.013051   1.637915   0.292190      7.000
  C  -1.226857   0.780176   0.299061      6.000
  C  -1.145136  -0.680814   0.710522      5.000
  C  -0.161396  -1.535077   0.171524      4.000
  C  -1.518939  -0.186281  -0.793972      8.000
  H   1.719583  -2.105084  -0.616156     11.000
  H   2.847966  -0.051768  -0.532581     10.000
  H   2.004729   2.095618  -0.002115      9.000
  H  -0.193926   2.671053   0.597968     15.000
  H  -2.113501   1.256192   0.719986     14.000
  H  -1.974295  -1.111728   1.270182     13.000
  H  -0.438953  -2.593839   0.181801     12.000
  H  -0.794073  -0.309428  -1.594268     16.000
  H  -2.546380  -0.446699  -1.039330     17.000
 17
 Energy -309.62388424    Point 135   Kin_en 6.66636
  C   1.149118  -1.251454  -0.291925      3.000
  C   1.780497  -0.012546  -0.300079      2.000
  C   1.271704   1.285867  -0.008549      1.000
  C  -0.013860   1.630778   0.303234      7.000
  C  -1.228296   0.805560   0.278181      6.000
  C  -1.156890  -0.705184   0.644534      5.000
  C  -0.111719  -1.560285   0.231439      4.000
  C  -1.568270  -0.148328  -0.793053      8.000
  H   1.745589  -2.105243  -0.613514     11.000
  H   2.844967  -0.041815  -0.547811     10.000
  H   2.010256   2.088573   0.013856      9.000
  H  -0.176865   2.654021   0.652192     15.000
  H  -2.095568   1.266343   0.752993     14.000
  H  -1.960457  -1.104687   1.261006     13.000
  H  -0.339895  -2.625415   0.342274     12.000
  H  -0.866820  -0.329095  -1.602223     16.000
  H  -2.617217  -0.331445  -1.018208     17.000
 17
 Energy -309.63303000    Point 136   Kin_en 4.69761
  C   1.161362  -1.263105  -0.282581      3.000
  C   1.777643  -0.007599  -0.319029      2.000
  C   1.274974   1.278868  -0.011600      1.000
  C  -0.013754   1.623923   0.318017      7.000
  C  -1.229052   0.837004   0.264357      6.000
  C  -1.174536  -0.739068   0.571460      5.000
  C  -0.069575  -1.576227   0.286033      4.000
  C  -1.609893  -0.118599  -0.787874      8.000
  H   1.782107  -2.111461  -0.572203     11.000
  H   2.841607  -0.033032  -0.569714     10.000
  H   2.014732   2.080142   0.025613      9.000
  H  -0.156662   2.633096   0.715260     15.000
  H  -2.076372   1.278345   0.790722     14.000
  H  -1.955206  -1.099628   1.239249     13.000
  H  -0.236815  -2.632346   0.523148     12.000
  H  -0.935140  -0.308407  -1.617799     16.000
  H  -2.673361  -0.225791  -0.996068     17.000
 17
 Energy -309.63957142    Point 137   Kin_en 2.97409
  C   1.177958  -1.272404  -0.261342      3.000
  C   1.774067  -0.005286  -0.348783      2.000
  C   1.274456   1.271122  -0.022480      1.000
  C  -0.011887   1.617344   0.338683      7.000
  C  -1.232241   0.871896   0.259935      6.000
  C  -1.195583  -0.785155   0.498769      5.000
  C  -0.038734  -1.583467   0.333571      4.000
  C  -1.637477  -0.089635  -0.782927      8.000
  H   1.826521  -2.118424  -0.493599     11.000
  H   2.834283  -0.024554  -0.614545     10.000
  H   2.015949   2.070811   0.022972      9.000
  H  -0.130683   2.608513   0.786867     15.000
  H  -2.061506   1.289015   0.832750     14.000
  H  -1.964259  -1.112126   1.197503     13.000
  H  -0.144902  -2.610071   0.700978     12.000
  H  -0.983824  -0.249743  -1.637420     16.000
  H  -2.708004  -0.144114  -0.979175     17.000
 17
 Energy -309.64383266    Point 138   Kin_en 1.54462
  C   1.195822  -1.277254  -0.225471      3.000
  C   1.766566  -0.005507  -0.388317      2.000
  C   1.267286   1.263934  -0.045319      1.000
  C  -0.009087   1.610791   0.366554      7.000
  C  -1.237897   0.906422   0.266208      6.000
  C  -1.216005  -0.839546   0.433052      5.000
  C  -0.021196  -1.586753   0.373719      4.000
  C  -1.641727  -0.057571  -0.780296      8.000
  H   1.870679  -2.119026  -0.392648     11.000
  H   2.817191  -0.016561  -0.688928     10.000
  H   2.009635   2.063972  -0.008607      9.000
  H  -0.098636   2.581456   0.864073     15.000
  H  -2.055285   1.296352   0.874448     14.000
  H  -1.989254  -1.150426   1.134879     13.000
  H  -0.082569  -2.573532   0.845619     12.000
  H  -0.994040  -0.168290  -1.648960     16.000
  H  -2.713182  -0.086784  -0.981417     17.000
 17
 Energy -309.64654027    Point 139   Kin_en 0.544102
  C   1.208256  -1.277413  -0.182910      3.000
  C   1.750157  -0.006757  -0.429775      2.000
  C   1.252723   1.259781  -0.078373      1.000
  C  -0.006060   1.607154   0.399422      7.000
  C  -1.241830   0.941240   0.279710      6.000
  C  -1.232728  -0.896888   0.375786      5.000
  C  -0.014261  -1.593155   0.408077      4.000
  C  -1.619596  -0.027172  -0.776913      8.000
  H   1.906866  -2.109936  -0.294182     11.000
  H   2.786176  -0.011930  -0.776545     10.000
  H   1.994290   2.062125  -0.070770      9.000
  H  -0.062397   2.557594   0.939226     15.000
  H  -2.056848   1.305578   0.907011     14.000
  H  -2.023471  -1.207147   1.059197     13.000
  H  -0.050719  -2.546605   0.945694     12.000
  H  -0.958681  -0.088112  -1.642451     16.000
  H  -2.686130  -0.042399  -1.007933     17.000
 17
 Energy -309.64799909    Point 140   Kin_en 0.087082
  C   1.212316  -1.274975  -0.143519      3.000
  C   1.722664  -0.008152  -0.467381      2.000
  C   1.233750   1.259526  -0.112007      1.000
  C  -0.002457   1.612996   0.431875      7.000
  C  -1.241645   0.980477   0.293262      6.000
  C  -1.244247  -0.956921   0.326290      5.000
  C  -0.013754  -1.608077   0.437681      4.000
  C  -1.577872  -0.003438  -0.768294      8.000
  H   1.934094  -2.092760  -0.215057     11.000
  H   2.740850  -0.012087  -0.862873     10.000
  H   1.975004   2.062239  -0.146134      9.000
  H  -0.024473   2.546096   1.003273     15.000
  H  -2.063045   1.327397   0.922459     14.000
  H  -2.059764  -1.278051   0.975969     13.000
  H  -0.034468  -2.539721   1.012000     12.000
  H  -0.891168  -0.024250  -1.617417     16.000
  H  -2.633829  -0.005968  -1.047278     17.000
