 17
 Energy -388.19484095    Point 1
  C  -0.543389  -1.272101   1.325371
  C  -1.324024  -1.846184   0.329930
  C  -1.932124  -1.219495  -0.770349
  C  -2.028175   0.148946  -1.072198
  C  -1.419237   1.217093  -0.425221
  C  -0.241319   1.280790   0.352854
  C   0.243855  -0.097429   1.327532
  C   1.025564   0.473076   0.167106
  C   2.274814   1.238727   0.607578
  C   1.247897  -0.350450  -1.084836
  H  -0.517641  -1.819540   2.273660
  H  -1.630797  -2.879531   0.505961
  H  -2.566446  -1.870060  -1.377393
  H  -2.790458   0.412863  -1.808482
  H  -1.921786   2.183256  -0.540854
  H  -0.114158   2.188186   0.945947
  H   0.557290   0.262756   2.308913
 17
 Energy -388.19222706    Point 2   Kin_en 0.569423
  C  -0.225158  -1.223730   1.246780
  C  -1.018562  -1.767757   0.248060
  C  -1.575226  -1.145519  -0.886542
  C  -1.643565   0.217663  -1.205057
  C  -1.082412   1.267605  -0.487199
  C   0.053856   1.288964   0.343571
  C   0.591678  -0.058125   1.253984
  C   1.348176   0.501201   0.084903
  C   2.561957   1.369085   0.416376
  C   1.540320  -0.352479  -1.155730
  H  -0.214630  -1.777842   2.190979
  H  -1.367108  -2.786981   0.429896
  H  -2.186742  -1.798393  -1.514348
  H  -2.345032   0.490584  -1.995959
  H  -1.563203   2.243393  -0.611912
  H   0.195018   2.189633   0.941833
  H   0.920253   0.285722   2.236633
 17
 Energy -388.18512105    Point 3   Kin_en 2.52895
  C  -0.225459  -1.221514   1.231457
  C  -1.038849  -1.743799   0.261729
  C  -1.559313  -1.126292  -0.914036
  C  -1.608277   0.223483  -1.230506
  C  -1.082261   1.272306  -0.456297
  C  -0.056561   1.255804   0.484390
  C   0.591033  -0.009111   1.217236
  C   1.417336   0.435729   0.090335
  C   2.540260   1.423379   0.323852
  C   1.557386  -0.421246  -1.138498
  H  -0.178623  -1.777012   2.172357
  H  -1.427255  -2.745973   0.458848
  H  -2.127375  -1.788924  -1.571830
  H  -2.219309   0.509645  -2.087981
  H  -1.505059   2.263772  -0.646966
  H   0.138399   2.181509   1.023373
  H   0.945565   0.300381   2.204111
 17
 Energy -388.17931843    Point 4   Kin_en 6.08405
  C  -0.224397  -1.208464   1.217415
  C  -1.042836  -1.721812   0.259669
  C  -1.530357  -1.110529  -0.945649
  C  -1.589139   0.234280  -1.238895
  C  -1.117770   1.290710  -0.414853
  C  -0.190031   1.263549   0.598727
  C   0.581271   0.042093   1.177611
  C   1.513010   0.358443   0.086738
  C   2.527074   1.444236   0.235805
  C   1.605823  -0.514003  -1.103788
  H  -0.151384  -1.762776   2.156132
  H  -1.449143  -2.716160   0.461851
  H  -2.046765  -1.780875  -1.636731
  H  -2.145232   0.529010  -2.130198
  H  -1.543572   2.277457  -0.619140
  H   0.025858   2.196267   1.118856
  H   0.968068   0.322371   2.164032
 17
 Energy -388.17519955    Point 5   Kin_en 11.1977
  C  -0.226200  -1.192293   1.207690
  C  -1.038344  -1.701228   0.243942
  C  -1.490490  -1.087377  -0.975758
  C  -1.565774   0.260401  -1.240376
  C  -1.162837   1.309403  -0.362755
  C  -0.285422   1.268981   0.685689
  C   0.573809   0.072827   1.149761
  C   1.566356   0.305211   0.076076
  C   2.488809   1.465645   0.125659
  C   1.678593  -0.632099  -1.042891
  H  -0.150135  -1.744931   2.146517
  H  -1.454259  -2.693011   0.439943
  H  -1.966776  -1.755511  -1.696857
  H  -2.089384   0.565678  -2.147876
  H  -1.628243   2.282847  -0.541785
  H  -0.115664   2.185535   1.251807
  H   0.992635   0.332224   2.131418
 17
 Energy -388.17138346    Point 6   Kin_en 17.6725
  C  -0.227065  -1.178753   1.195854
  C  -1.033737  -1.684813   0.225791
  C  -1.456558  -1.060717  -0.998624
  C  -1.543676   0.291524  -1.235625
  C  -1.203015   1.326566  -0.311269
  C  -0.356532   1.270853   0.758249
  C   0.565180   0.094897   1.119908
  C   1.597268   0.266862   0.061054
  C   2.431151   1.485177   0.010422
  C   1.773564  -0.748798  -0.966901
  H  -0.150363  -1.728552   2.135909
  H  -1.455010  -2.676150   0.412152
  H  -1.906214  -1.720254  -1.744273
  H  -2.046399   0.608681  -2.151032
  H  -1.715333   2.281645  -0.458245
  H  -0.256651   2.152236   1.393080
  H   1.021960   0.334663   2.092970
 17
 Energy -388.16858946    Point 7   Kin_en 25.318
  C  -0.227590  -1.169068   1.183994
  C  -1.028380  -1.671837   0.206731
  C  -1.430516  -1.032423  -1.015300
  C  -1.526825   0.324131  -1.225651
  C  -1.237136   1.342370  -0.262578
  C  -0.408621   1.269662   0.818464
  C   0.555073   0.110795   1.085085
  C   1.613556   0.238927   0.042131
  C   2.359414   1.499631  -0.106066
  C   1.884677  -0.853660  -0.875670
  H  -0.148852  -1.714719   2.125871
  H  -1.452817  -2.663892   0.381528
  H  -1.860454  -1.680708  -1.782127
  H  -2.016792   0.653396  -2.143867
  H  -1.793615   2.276945  -0.377618
  H  -0.376484   2.101332   1.523026
  H   1.056785   0.330771   2.045644
 17
 Energy -388.16707724    Point 8   Kin_en 33.95
  C  -0.226407  -1.164089   1.170766
  C  -1.024414  -1.661308   0.187998
  C  -1.411124  -1.004265  -1.028448
  C  -1.515755   0.355773  -1.212772
  C  -1.267754   1.355759  -0.216553
  C  -0.443842   1.266886   0.865609
  C   0.544150   0.121688   1.048360
  C   1.620788   0.218314   0.023034
  C   2.279593   1.506938  -0.225396
  C   2.002464  -0.939697  -0.766847
  H  -0.143576  -1.705957   2.114025
  H  -1.451625  -2.654133   0.351082
  H  -1.822007  -1.640592  -1.815488
  H  -1.994873   0.697375  -2.132359
  H  -1.860969   2.270692  -0.302151
  H  -0.461610   2.045690   1.628013
  H   1.094241   0.320160   1.993495
 17
 Energy -388.16668922    Point 9   Kin_en 43.4142
  C  -0.223581  -1.163874   1.157125
  C  -1.019947  -1.652730   0.168894
  C  -1.395032  -0.977014  -1.040635
  C  -1.511269   0.385483  -1.198610
  C  -1.295846   1.366874  -0.174347
  C  -0.465152   1.264381   0.899864
  C   0.533538   0.128788   1.015668
  C   1.622317   0.202150   0.006875
  C   2.194577   1.502957  -0.350849
  C   2.118666  -1.003092  -0.640729
  H  -0.135822  -1.704543   2.100159
  H  -1.450032  -2.646319   0.319463
  H  -1.784906  -1.601634  -1.847468
  H  -1.980807   0.739422  -2.118640
  H  -1.915717   2.265909  -0.234352
  H  -0.508937   1.999936   1.702736
  H   1.128993   0.305179   1.944406
 17
 Energy -388.16681148    Point 10   Kin_en 53.4887
  C  -0.219862  -1.165728   1.144840
  C  -1.010888  -1.644926   0.147564
  C  -1.379456  -0.951466  -1.054037
  C  -1.514212   0.412535  -1.185050
  C  -1.318651   1.376197  -0.139498
  C  -0.477115   1.261100   0.923798
  C   0.526800   0.133788   0.996086
  C   1.622345   0.188316  -0.002373
  C   2.103731   1.483001  -0.484369
  C   2.224597  -1.041667  -0.504390
  H  -0.131920  -1.708872   2.086006
  H  -1.442853  -2.639775   0.284447
  H  -1.751509  -1.565302  -1.877284
  H  -1.980989   0.777337  -2.102406
  H  -1.952566   2.266274  -0.179238
  H  -0.528324   1.969880   1.750025
  H   1.152629   0.291411   1.912924
 17
 Energy -388.16688627    Point 11   Kin_en 65.2462
  C  -0.212458  -1.167935   1.130482      6.000
  C  -0.994524  -1.637053   0.120901      5.000
  C  -1.369275  -0.926685  -1.068946      4.000
  C  -1.527245   0.437141  -1.172635      3.000
  C  -1.339442   1.384629  -0.110751      2.000
  C  -0.485082   1.259443   0.940250      1.000
  C   0.524778   0.141701   0.991250      7.000
  C   1.623743   0.175524  -0.003450      8.000
  C   2.000735   1.435027  -0.638545     10.000
  C   2.336077  -1.054126  -0.345871      9.000
  H  -0.124566  -1.720850   2.065576     16.000
  H  -1.423307  -2.635383   0.243112     15.000
  H  -1.730614  -1.530785  -1.903903     14.000
  H  -2.002512   0.811297  -2.082017     13.000
  H  -1.979044   2.270961  -0.133852     12.000
  H  -0.534348   1.955493   1.777689     11.000
  H   1.158661   0.281710   1.906501     17.000
 17
 Energy -388.16674203    Point 12   Kin_en 76.0575
  C  -0.201723  -1.167299   1.116884      6.000
  C  -0.974063  -1.630043   0.095872      5.000
  C  -1.366680  -0.909006  -1.081355      4.000
  C  -1.545341   0.453527  -1.164332      3.000
  C  -1.353576   1.391148  -0.094592      2.000
  C  -0.490327   1.261401   0.948382      1.000
  C   0.527828   0.153965   1.001857      7.000
  C   1.625403   0.165622   0.002389      8.000
  C   1.907096   1.365246  -0.775142     10.000
  C   2.429843  -1.039699  -0.207009      9.000
  H  -0.107580  -1.736543   2.041338     16.000
  H  -1.391541  -2.634817   0.205649     15.000
  H  -1.727718  -1.507563  -1.920234     14.000
  H  -2.037267   0.832423  -2.062953     13.000
  H  -1.993520   2.277280  -0.107705     12.000
  H  -0.538300   1.956387   1.787195     11.000
  H   1.146422   0.278677   1.926625     17.000
 17
 Energy -388.16677838    Point 13   Kin_en 87.3439
  C  -0.181893  -1.162700   1.098379      6.000
  C  -0.947981  -1.622458   0.069822      5.000
  C  -1.373245  -0.896145  -1.091251      4.000
  C  -1.568177   0.464796  -1.159288      3.000
  C  -1.364376   1.397531  -0.087469      2.000
  C  -0.495386   1.268775   0.950908      1.000
  C   0.535160   0.175469   1.025514      7.000
  C   1.627929   0.156885   0.015617      8.000
  C   1.808777   1.266050  -0.906816     10.000
  C   2.518583  -1.005398  -0.071355      9.000
  H  -0.062210  -1.760024   2.002066     16.000
  H  -1.340550  -2.638603   0.167715     15.000
  H  -1.743422  -1.492861  -1.927277     14.000
  H  -2.083785   0.844707  -2.044151     13.000
  H  -2.003379   2.284349  -0.094791     12.000
  H  -0.547050   1.969698   1.785048     11.000
  H   1.119835   0.283093   1.968128     17.000
 17
 Energy -388.16766587    Point 14   Kin_en 98.9692
  C  -0.149517  -1.153134   1.073368      6.000
  C  -0.917366  -1.613774   0.045088      5.000
  C  -1.386235  -0.888285  -1.097301      4.000
  C  -1.593720   0.471006  -1.156314      3.000
  C  -1.374291   1.404525  -0.087343      2.000
  C  -0.500445   1.284023   0.947758      1.000
  C   0.543841   0.207303   1.055650      7.000
  C   1.627565   0.146315   0.033218      8.000
  C   1.708178   1.139195  -1.023472     10.000
  C   2.599342  -0.956778   0.056692      9.000
  H   0.021445  -1.786544   1.944093     16.000
  H  -1.271660  -2.644961   0.131613     15.000
  H  -1.768387  -1.486926  -1.926364     14.000
  H  -2.133303   0.848896  -2.027642     13.000
  H  -2.012851   2.291681  -0.093451     12.000
  H  -0.558458   1.996893   1.771828     11.000
  H   1.086927   0.299983   2.017562     17.000
 17
 Energy -388.16984784    Point 15   Kin_en 110.904
  C  -0.101674  -1.138576   1.039242      6.000
  C  -0.883509  -1.603936   0.022411      5.000
  C  -1.404825  -0.885432  -1.098823      4.000
  C  -1.624250   0.471734  -1.153495      3.000
  C  -1.386096   1.412445  -0.093283      2.000
  C  -0.506057   1.307423   0.937697      1.000
  C   0.550804   0.249016   1.084186      7.000
  C   1.621109   0.130274   0.053310      8.000
  C   1.614615   0.989624  -1.118977     10.000
  C   2.672050  -0.896043   0.181318      9.000
  H   0.143319  -1.806855   1.865654     16.000
  H  -1.189566  -2.651191   0.099063     15.000
  H  -1.799593  -1.489504  -1.917800     14.000
  H  -2.186906   0.844600  -2.012291     13.000
  H  -2.024824   2.299499  -0.102075     12.000
  H  -0.569885   2.036502   1.747537     11.000
  H   1.052903   0.332009   2.063228     17.000
 17
 Energy -388.17321576    Point 16   Kin_en 123.061
  C  -0.036959  -1.118829   0.994253      6.000
  C  -0.844375  -1.593270  -0.000414      5.000
  C  -1.427865  -0.887341  -1.095455      4.000
  C  -1.661854   0.466996  -1.148858      3.000
  C  -1.399987   1.422289  -0.105972      2.000
  C  -0.512697   1.337954   0.920149      1.000
  C   0.553765   0.299437   1.106947      7.000
  C   1.605560   0.104821   0.076607      8.000
  C   1.537351   0.824963  -1.190762     10.000
  C   2.732520  -0.826600   0.306098      9.000
  H   0.290990  -1.810823   1.771030     16.000
  H  -1.096412  -2.655376   0.067791     15.000
  H  -1.838697  -1.499915  -1.899883     14.000
  H  -2.250300   0.830531  -1.994297     13.000
  H  -2.037806   2.309935  -0.121867     12.000
  H  -0.580938   2.085871   1.712747     11.000
  H   1.018480   0.377567   2.100557     17.000
 17
 Energy -388.17720967    Point 17   Kin_en 135.436
  C   0.045123  -1.094711   0.937056      6.000
  C  -0.800472  -1.581905  -0.024792      5.000
  C  -1.451894  -0.893682  -1.087195      4.000
  C  -1.703540   0.458208  -1.141001      3.000
  C  -1.413859   1.435208  -0.126312      2.000
  C  -0.521944   1.372108   0.897664      1.000
  C   0.551462   0.357352   1.121950      7.000
  C   1.576065   0.063972   0.102195      8.000
  C   1.483692   0.656528  -1.240384     10.000
  C   2.775516  -0.750899   0.433276      9.000
  H   0.441263  -1.793582   1.673987     16.000
  H  -1.001017  -2.655306   0.038485     15.000
  H  -1.887190  -1.516964  -1.869998     14.000
  H  -2.324956   0.806332  -1.969282     13.000
  H  -2.048350   2.324866  -0.154857     12.000
  H  -0.596126   2.137594   1.673325     11.000
  H   0.984921   0.432961   2.126985     17.000
 17
 Energy -388.18172581    Point 18   Kin_en 147.363
  C   0.155546  -1.067845   0.857475      6.000
  C  -0.756609  -1.568451  -0.050816      5.000
  C  -1.471286  -0.903465  -1.074763      4.000
  C  -1.742055   0.449566  -1.129110      3.000
  C  -1.423575   1.452055  -0.155374      2.000
  C  -0.532620   1.406480   0.875221      1.000
  C   0.544222   0.428052   1.136686      7.000
  C   1.518892  -0.006193   0.133770      8.000
  C   1.455179   0.506052  -1.264520     10.000
  C   2.792414  -0.684500   0.550531      9.000
  H   0.570514  -1.757394   1.590947     16.000
  H  -0.925531  -2.647089   0.022166     15.000
  H  -1.945379  -1.538179  -1.824938     14.000
  H  -2.407240   0.774967  -1.932628     13.000
  H  -2.049081   2.346894  -0.204101     12.000
  H  -0.623128   2.185654   1.636428     11.000
  H   0.948888   0.495214   2.151672     17.000
 17
 Energy -388.18933655    Point 19   Kin_en 157.709
  C   0.293350  -1.061558   0.742775      6.000
  C  -0.739973  -1.561019  -0.064398      5.000
  C  -1.487976  -0.919469  -1.052094      4.000
  C  -1.761584   0.447873  -1.116996      3.000
  C  -1.418051   1.468808  -0.197834      2.000
  C  -0.539079   1.431844   0.864360      1.000
  C   0.533061   0.517710   1.159823      7.000
  C   1.439010  -0.103710   0.164193      8.000
  C   1.442382   0.400917  -1.265272     10.000
  C   2.791810  -0.621303   0.639785      9.000
  H   0.645539  -1.715239   1.540098     16.000
  H  -0.942534  -2.628139   0.073172     15.000
  H  -2.034713  -1.560578  -1.745811     14.000
  H  -2.473501   0.745963  -1.890896     13.000
  H  -2.018811   2.377652  -0.279107     12.000
  H  -0.671039   2.216904   1.615270     11.000
  H   0.911164   0.562322   2.183461     17.000
 17
 Energy -388.19395079    Point 20   Kin_en 164.629
  C   0.369863  -1.114314   0.670893      6.000
  C  -0.744169  -1.580540  -0.057380      5.000
  C  -1.539231  -0.938133  -0.999062      4.000
  C  -1.784330   0.438762  -1.117387      3.000
  C  -1.402086   1.486901  -0.261706      2.000
  C  -0.544782   1.449539   0.830081      1.000
  C   0.509217   0.558640   1.150901      7.000
  C   1.426949  -0.136497   0.178689      8.000
  C   1.473185   0.312757  -1.269588     10.000
  C   2.804948  -0.478588   0.747233      9.000
  H   0.691245  -1.739510   1.505299     16.000
  H  -0.996965  -2.627405   0.140763     15.000
  H  -2.168566  -1.584066  -1.615004     14.000
  H  -2.519842   0.712020  -1.877964     13.000
  H  -1.965031   2.414617  -0.386792     12.000
  H  -0.692507   2.243801   1.569376     11.000
  H   0.869944   0.598082   2.180367     17.000
 17
 Energy -388.19484095    Point 21   Kin_en 168.282
  C   0.389282  -1.125472   0.663493      7.000
  C  -0.737465  -1.585677  -0.056414      1.000
  C  -1.554835  -0.945733  -0.979584      2.000
  C  -1.802039   0.430093  -1.117897      3.000
  C  -1.407551   1.491678  -0.287002      4.000
  C  -0.551067   1.455481   0.806363      5.000
  C   0.492836   0.562502   1.137729      6.000
  C   1.433156  -0.143706   0.184332      8.000
  C   1.500784   0.249342  -1.277148     10.000
  C   2.811732  -0.389703   0.800674      9.000
  H   0.699216  -1.744251   1.507375     17.000
  H  -0.994178  -2.630081   0.150763     11.000
  H  -2.202973  -1.597383  -1.569645     12.000
  H  -2.548346   0.689613  -1.872733     13.000
  H  -1.957662   2.424661  -0.427584     14.000
  H  -0.690484   2.258639   1.537730     15.000
  H   0.849988   0.613040   2.167867     16.000
 17
 Energy -388.19222706    Point 22   Kin_en 170.216
  C   0.408627  -1.138897   0.679614      7.000
  C  -0.743144  -1.596873  -0.020093      1.000
  C  -1.566428  -0.951295  -0.930219      2.000
  C  -1.767363   0.428907  -1.127818      3.000
  C  -1.347413   1.507218  -0.337075      4.000
  C  -0.545852   1.443168   0.796940      5.000
  C   0.442859   0.506512   1.153123      6.000
  C   1.422119  -0.156081   0.170899      8.000
  C   1.445208   0.193295  -1.306350     10.000
  C   2.814697  -0.234594   0.796138      9.000
  H   0.731177  -1.756962   1.519702     17.000
  H  -1.012621  -2.634599   0.201650     11.000
  H  -2.249583  -1.598568  -1.484928     12.000
  H  -2.493705   0.680332  -1.904703     13.000
  H  -1.834784   2.464249  -0.533615     14.000
  H  -0.660823   2.265040   1.511211     15.000
  H   0.813111   0.564332   2.177144     16.000
 17
 Energy -388.18512105    Point 23   Kin_en 174.591
  C   0.439362  -1.072922   0.697758      7.000
  C  -0.725028  -1.591677  -0.017694      1.000
  C  -1.569792  -0.962922  -0.892792      2.000
  C  -1.748487   0.431037  -1.136862      3.000
  C  -1.325375   1.503510  -0.365355      4.000
  C  -0.561229   1.422768   0.811795      5.000
  C   0.310523   0.425745   1.239836      6.000
  C   1.466969  -0.204229   0.114695      8.000
  C   1.434453   0.139754  -1.349774     10.000
  C   2.823316  -0.093074   0.777197      9.000
  H   0.781503  -1.713651   1.514951     17.000
  H  -0.949804  -2.639359   0.201174     11.000
  H  -2.280040  -1.610245  -1.412974     12.000
  H  -2.437292   0.673766  -1.949941     13.000
  H  -1.726938   2.485725  -0.619347     14.000
  H  -0.618291   2.289880   1.477362     15.000
  H   0.745079   0.537807   2.231827     16.000
 17
 Energy -388.17931843    Point 24   Kin_en 182.263
  C   0.462862  -1.000897   0.714409      7.000
  C  -0.698839  -1.582508  -0.011372      1.000
  C  -1.554032  -0.969932  -0.873950      2.000
  C  -1.718344   0.429557  -1.154251      3.000
  C  -1.321644   1.492967  -0.373388      4.000
  C  -0.610304   1.409663   0.853125      5.000
  C   0.171593   0.391913   1.344657      6.000
  C   1.535451  -0.256814   0.040531      8.000
  C   1.446339   0.055698  -1.402218     10.000
  C   2.825634   0.026706   0.736618      9.000
  H   0.833921  -1.660424   1.507209     17.000
  H  -0.885354  -2.636799   0.206494     11.000
  H  -2.270865  -1.622219  -1.379284     12.000
  H  -2.360729   0.665872  -2.005797     13.000
  H  -1.677849   2.484203  -0.658161     14.000
  H  -0.681530   2.286743   1.503023     15.000
  H   0.628009   0.526054   2.324858     16.000
 17
 Energy -388.17519955    Point 25   Kin_en 191.073
  C   0.478286  -0.942451   0.734533      7.000
  C  -0.673724  -1.573887   0.014770      1.000
  C  -1.526374  -0.979872  -0.861322      2.000
  C  -1.672887   0.415835  -1.176682      3.000
  C  -1.309821   1.481076  -0.385708      4.000
  C  -0.672742   1.399465   0.887261      5.000
  C   0.066506   0.378990   1.419116      6.000
  C   1.573646  -0.275719  -0.005471      8.000
  C   1.478083  -0.083711  -1.453654     10.000
  C   2.801367   0.178892   0.691678      9.000
  H   0.879815  -1.603569   1.514309     17.000
  H  -0.843535  -2.627114   0.248156     11.000
  H  -2.240687  -1.640275  -1.359981     12.000
  H  -2.274537   0.643821  -2.059449     13.000
  H  -1.642928   2.473122  -0.695228     14.000
  H  -0.801312   2.268531   1.538753     15.000
  H   0.465653   0.501915   2.426563     16.000
 17
 Energy -388.17138346    Point 26   Kin_en 199.647
  C   0.487894  -0.882639   0.752020      7.000
  C  -0.646915  -1.565460   0.043806      1.000
  C  -1.496369  -0.996524  -0.852061      2.000
  C  -1.629939   0.392950  -1.197004      3.000
  C  -1.298976   1.465065  -0.401172      4.000
  C  -0.735103   1.391388   0.909711      5.000
  C  -0.019764   0.375425   1.475056      6.000
  C   1.596739  -0.274796  -0.033435      8.000
  C   1.538643  -0.245427  -1.487773     10.000
  C   2.753201   0.343330   0.646809      9.000
  H   0.925350  -1.538421   1.521155     17.000
  H  -0.801459  -2.615395   0.299968     11.000
  H  -2.202354  -1.668547  -1.346956     12.000
  H  -2.199942   0.610913  -2.102963     13.000
  H  -1.620635   2.453876  -0.732950     14.000
  H  -0.932500   2.248277   1.560113     15.000
  H   0.289792   0.469853   2.516728     16.000
 17
 Energy -388.16858946    Point 27   Kin_en 207.302
  C   0.492700  -0.819189   0.764178      7.000
  C  -0.620133  -1.558895   0.075098      1.000
  C  -1.464423  -1.019027  -0.844032      2.000
  C  -1.592789   0.363157  -1.214186      3.000
  C  -1.293686   1.445522  -0.418709      4.000
  C  -0.794686   1.386016   0.921327      5.000
  C  -0.090803   0.379997   1.515339      6.000
  C   1.610031  -0.260154  -0.050444      8.000
  C   1.624803  -0.418289  -1.494185     10.000
  C   2.685441   0.510078   0.595989      9.000
  H   0.972714  -1.464936   1.522712     17.000
  H  -0.757465  -2.603650   0.359166     11.000
  H  -2.158726  -1.705228  -1.335913     12.000
  H  -2.135821   0.568071  -2.139535     13.000
  H  -1.612212   2.427995  -0.772109     14.000
  H  -1.060225   2.229648   1.564839     15.000
  H   0.126126   0.438375   2.582414     16.000
 17
 Energy -388.16707724    Point 28   Kin_en 213.574
  C   0.493962  -0.754732   0.772235      7.000
  C  -0.593265  -1.553552   0.107564      1.000
  C  -1.434274  -1.045763  -0.833036      2.000
  C  -1.562012   0.328310  -1.228762      3.000
  C  -1.294436   1.423547  -0.439151      4.000
  C  -0.851765   1.383519   0.923336      5.000
  C  -0.145721   0.394611   1.540884      6.000
  C   1.616880  -0.239190  -0.060262      8.000
  C   1.726864  -0.595236  -1.464439     10.000
  C   2.604695   0.673237   0.529648      9.000
  H   1.019935  -1.387217   1.519621     17.000
  H  -0.711734  -2.591297   0.422634     11.000
  H  -2.116267  -1.748085  -1.319284     12.000
  H  -2.078352   0.516562  -2.172755     13.000
  H  -1.611637   2.397709  -0.816348     14.000
  H  -1.177532   2.215248   1.554555     15.000
  H  -0.003282   0.421438   2.621209     16.000
 17
 Energy -388.16668922    Point 29   Kin_en 217.96
  C   0.493087  -0.693973   0.779806      7.000
  C  -0.567546  -1.549623   0.141735      1.000
  C  -1.405656  -1.074618  -0.818329      2.000
  C  -1.535424   0.290761  -1.241581      3.000
  C  -1.301310   1.400843  -0.461983      4.000
  C  -0.904870   1.385105   0.916871      5.000
  C  -0.184904   0.420408   1.553656      6.000
  C   1.618932  -0.218158  -0.065510      8.000
  C   1.835042  -0.768965  -1.395273     10.000
  C   2.514478   0.826624   0.438449      9.000
  H   1.062572  -1.310179   1.517513     17.000
  H  -0.667778  -2.578817   0.488219     11.000
  H  -2.076272  -1.793458  -1.296248     12.000
  H  -2.023849   0.458702  -2.204061     13.000
  H  -1.617914   2.365039  -0.864825     14.000
  H  -1.278157   2.208697   1.532061     15.000
  H  -0.088193   0.430883   2.639059     16.000
 17
 Energy -388.16681148    Point 30   Kin_en 219.947
  C   0.493483  -0.644035   0.793284      7.000
  C  -0.544253  -1.545923   0.178407      1.000
  C  -1.375385  -1.101812  -0.802357      2.000
  C  -1.510562   0.253987  -1.254142      3.000
  C  -1.314129   1.379853  -0.486249      4.000
  C  -0.949479   1.391864   0.901899      5.000
  C  -0.212339   0.453289   1.555910      6.000
  C   1.619203  -0.203188  -0.066089      8.000
  C   1.939437  -0.927363  -1.291082     10.000
  C   2.414808   0.962768   0.318385      9.000
  H   1.092623  -1.241141   1.529214     17.000
  H  -0.633231  -2.565202   0.554820     11.000
  H  -2.035415  -1.836513  -1.271004     12.000
  H  -1.975280   0.398625  -2.231931     13.000
  H  -1.636002   2.331927  -0.913397     14.000
  H  -1.353543   2.213545   1.499593     15.000
  H  -0.136301   0.467287   2.642954     16.000
 17
 Energy -388.16688627    Point 31   Kin_en 219.272
  C   0.497652  -0.600082   0.818713      7.000
  C  -0.518499  -1.539910   0.216876      6.000
  C  -1.338847  -1.127637  -0.787122      5.000
  C  -1.491466   0.216754  -1.266827      4.000
  C  -1.336585   1.359301  -0.514281      3.000
  C  -0.990660   1.403910   0.878180      2.000
  C  -0.234267   0.495337   1.550913      1.000
  C   1.620457  -0.194463  -0.060536      8.000
  C   2.055547  -1.076252  -1.142135      9.000
  C   2.297121   1.081430   0.154031     10.000
  H   1.104619  -1.177587   1.565154     17.000
  H  -0.598566  -2.550179   0.617858     16.000
  H  -1.984467  -1.881009  -1.246536     15.000
  H  -1.940125   0.333490  -2.255631     14.000
  H  -1.674749   2.295730  -0.963271     13.000
  H  -1.414876   2.229120   1.456346     12.000
  H  -0.165065   0.531497   2.638167     11.000
 17
 Energy -388.16674203    Point 32   Kin_en 216.343
  C   0.505204  -0.570122   0.851912      7.000
  C  -0.494171  -1.531744   0.245490      6.000
  C  -1.303196  -1.144748  -0.778628      5.000
  C  -1.481888   0.189131  -1.277369      4.000
  C  -1.361428   1.344106  -0.537893      3.000
  C  -1.019579   1.416718   0.854270      2.000
  C  -0.249431   0.533141   1.544191      1.000
  C   1.621610  -0.192784  -0.050859      8.000
  C   2.157987  -1.176761  -0.993122      9.000
  C   2.186227   1.149811  -0.010236     10.000
  H   1.096034  -1.136050   1.616146     17.000
  H  -0.563515  -2.539221   0.655000     16.000
  H  -1.930123  -1.916256  -1.234313     15.000
  H  -1.926327   0.281333  -2.270500     14.000
  H  -1.722095   2.265527  -1.000466     13.000
  H  -1.454136   2.247559   1.416225     12.000
  H  -0.183549   0.597696   2.630656     11.000
 17
 Energy -388.16677838    Point 33   Kin_en 211.879
  C   0.516925  -0.544974   0.897026      7.000
  C  -0.462926  -1.519076   0.263632      6.000
  C  -1.264087  -1.155381  -0.776591      5.000
  C  -1.482098   0.167078  -1.286537      4.000
  C  -1.389359   1.332451  -0.559837      3.000
  C  -1.042227   1.431103   0.829440      2.000
  C  -0.262167   0.571006   1.537740      1.000
  C   1.623240  -0.197099  -0.035407      8.000
  C   2.258036  -1.249579  -0.836063      9.000
  C   2.066828   1.179438  -0.184441     10.000
  H   1.071706  -1.106721   1.683542     17.000
  H  -0.506429  -2.533268   0.660233     16.000
  H  -1.861369  -1.948520  -1.235316     15.000
  H  -1.932391   0.235539  -2.278802     14.000
  H  -1.778523   2.238274  -1.030160     13.000
  H  -1.483869   2.268157   1.376357     12.000
  H  -0.202733   0.668324   2.622520     11.000
 17
 Energy -388.16766587    Point 34   Kin_en 206.976
  C   0.530433  -0.520624   0.949066      7.000
  C  -0.421125  -1.501681   0.267955      6.000
  C  -1.222639  -1.159189  -0.780575      5.000
  C  -1.489561   0.151111  -1.293500      4.000
  C  -1.418399   1.324258  -0.577353      3.000
  C  -1.060853   1.445835   0.808175      2.000
  C  -0.272081   0.608735   1.533890      1.000
  C   1.621175  -0.207221  -0.018202      8.000
  C   2.350904  -1.297403  -0.682065      9.000
  C   1.942111   1.168386  -0.355259     10.000
  H   1.041059  -1.081942   1.757144     17.000
  H  -0.416248  -2.530361   0.629055     16.000
  H  -1.779257  -1.975717  -1.249418     15.000
  H  -1.949294   0.198411  -2.282522     14.000
  H  -1.835209   2.215869  -1.051127     13.000
  H  -1.508285   2.288521   1.341586     12.000
  H  -0.220190   0.739861   2.615904     11.000
 17
 Energy -388.16984784    Point 35   Kin_en 202.624
  C   0.543795  -0.492425   1.001328      7.000
  C  -0.365521  -1.478796   0.257437      6.000
  C  -1.180836  -1.156759  -0.788186      5.000
  C  -1.504625   0.140069  -1.296695      4.000
  C  -1.451414   1.318470  -0.588477      3.000
  C  -1.077410   1.461901   0.791832      2.000
  C  -0.278232   0.648326   1.531987      1.000
  C   1.611611  -0.224730  -0.003892      8.000
  C   2.434886  -1.328080  -0.532122      9.000
  C   1.821918   1.119102  -0.516401     10.000
  H   1.011669  -1.053760   1.828076     17.000
  H  -0.290475  -2.521899   0.567081     16.000
  H  -1.689064  -1.996398  -1.270887     15.000
  H  -1.976041   0.168584  -2.280780     14.000
  H  -1.894243   2.197347  -1.062416     13.000
  H  -1.529020   2.309613   1.313702     12.000
  H  -0.231253   0.812233   2.610133     11.000
 17
 Energy -388.17321576    Point 36   Kin_en 199.682
  C   0.555901  -0.458303   1.050040      7.000
  C  -0.294611  -1.449348   0.232976      6.000
  C  -1.137747  -1.148336  -0.798959      5.000
  C  -1.527481   0.132512  -1.294386      4.000
  C  -1.490877   1.314213  -0.591482      3.000
  C  -1.090709   1.482001   0.779825      2.000
  C  -0.279392   0.691413   1.530863      1.000
  C   1.590754  -0.253297   0.004669      8.000
  C   2.504451  -1.349680  -0.386933      9.000
  C   1.715789   1.037245  -0.664918     10.000
  H   0.986053  -1.019846   1.892039     17.000
  H  -0.139627  -2.498641   0.487442     16.000
  H  -1.594356  -2.008626  -1.296605     15.000
  H  -2.016613   0.143600  -2.269969     14.000
  H  -1.962316   2.180018  -1.061928     13.000
  H  -1.542272   2.335915   1.291590     12.000
  H  -0.232918   0.886397   2.604208     11.000
 17
 Energy -388.17720967    Point 37   Kin_en 198.73
  C   0.566696  -0.416849   1.093469      7.000
  C  -0.207933  -1.413168   0.195500      6.000
  C  -1.094599  -1.134610  -0.811361      5.000
  C  -1.555740   0.126052  -1.285474      4.000
  C  -1.534055   1.310661  -0.585432      3.000
  C  -1.097646   1.508774   0.770421      2.000
  C  -0.276353   0.736705   1.530295      1.000
  C   1.552595  -0.296578   0.002909      8.000
  C   2.554292  -1.367500  -0.246169      9.000
  C   1.631258   0.933050  -0.799587     10.000
  H   0.966905  -0.979478   1.946101     17.000
  H   0.013755  -2.458864   0.409486     16.000
  H  -1.504827  -2.011698  -1.320126     15.000
  H  -2.074245   0.119659  -2.245606     14.000
  H  -2.041903   2.160150  -1.047878     13.000
  H  -1.542992   2.372021   1.271776     12.000
  H  -0.228689   0.958527   2.598772     11.000
 17
 Energy -388.18172581    Point 38   Kin_en 201.019
  C   0.577208  -0.367456   1.141608      7.000
  C  -0.094947  -1.368388   0.135089      6.000
  C  -1.055315  -1.114288  -0.824469      5.000
  C  -1.582807   0.120002  -1.271365      4.000
  C  -1.572622   1.309271  -0.569583      3.000
  C  -1.094366   1.543400   0.761217      2.000
  C  -0.269529   0.779629   1.532128      1.000
  C   1.480381  -0.365122  -0.011069      8.000
  C   2.574490  -1.387594  -0.125633      9.000
  C   1.572941   0.823310  -0.905905     10.000
  H   0.949445  -0.938315   1.998359     17.000
  H   0.144952  -2.408856   0.348473     16.000
  H  -1.441115  -2.005551  -1.328583     15.000
  H  -2.147338   0.095697  -2.204694     14.000
  H  -2.128357   2.136673  -1.017424     13.000
  H  -1.524086   2.421400   1.249915     12.000
  H  -0.228818   1.023253   2.596895     11.000
 17
 Energy -388.18933655    Point 39   Kin_en 204.882
  C   0.586797  -0.309465   1.207173      7.000
  C   0.039262  -1.327524   0.028513      6.000
  C  -1.045477  -1.097499  -0.831240      5.000
  C  -1.607620   0.107756  -1.253134      4.000
  C  -1.588499   1.313595  -0.550080      3.000
  C  -1.073669   1.582751   0.741309      2.000
  C  -0.260521   0.805840   1.539692      1.000
  C   1.379131  -0.452810  -0.037754      8.000
  C   2.576716  -1.396144  -0.029391      9.000
  C   1.538940   0.734562  -0.966538     10.000
  H   0.928700  -0.901686   2.058739     17.000
  H   0.218853  -2.362675   0.317078     16.000
  H  -1.470266  -2.005074  -1.272335     15.000
  H  -2.250266   0.066122  -2.134302     14.000
  H  -2.194482   2.115133  -0.980110     13.000
  H  -1.469052   2.486142   1.211492     12.000
  H  -0.253436   1.065669   2.602724     11.000
 17
 Energy -388.19395079    Point 40   Kin_en 200.818
  C   0.579774  -0.268282   1.219771      7.000
  C   0.093801  -1.347484  -0.063878      6.000
  C  -1.069874  -1.109615  -0.824203      5.000
  C  -1.672448   0.084644  -1.201334      4.000
  C  -1.605865   1.322941  -0.543990      3.000
  C  -1.032660   1.639678   0.700200      2.000
  C  -0.241981   0.846021   1.520749      1.000
  C   1.355488  -0.496709  -0.051737      8.000
  C   2.604961  -1.362033   0.119090      9.000
  C   1.548209   0.643176  -1.034079     10.000
  H   0.905167  -0.865072   2.073844     17.000
  H   0.241892  -2.373909   0.275105     16.000
  H  -1.552401  -2.020687  -1.193267     15.000
  H  -2.406659   0.016976  -2.006959     14.000
  H  -2.237376   2.105772  -0.971184     13.000
  H  -1.374165   2.578991   1.140966     12.000
  H  -0.237210   1.125444   2.579584     11.000
 17
 Energy -388.19484095    Point 41   Kin_en 197.637
  C   0.570478  -0.257745   1.209068      6.000
  C   0.104674  -1.356914  -0.079239      7.000
  C  -1.073337  -1.110871  -0.821778      1.000
  C  -1.695958   0.078624  -1.178581      2.000
  C  -1.622570   1.326588  -0.538004      3.000
  C  -1.025778   1.662061   0.688481      4.000
  C  -0.234549   0.864973   1.506363      5.000
  C   1.357429  -0.512329  -0.058919      8.000
  C   2.624977  -1.330349   0.196087      9.000
  C   1.558125   0.584282  -1.084664     10.000
  H   0.896981  -0.846961   2.067856     16.000
  H   0.240425  -2.381671   0.270802     17.000
  H  -1.565019  -2.021829  -1.179563     11.000
  H  -2.455110  -0.000350  -1.959833     12.000
  H  -2.266969   2.100141  -0.962821     13.000
  H  -1.346988   2.612482   1.120181     14.000
  H  -0.212702   1.153524   2.562610     15.000
 17
 Energy -388.19222706    Point 42   Kin_en 183.919
  C   0.502888  -0.309406   1.197389      6.000
  C   0.112290  -1.380908  -0.080136      7.000
  C  -1.086347  -1.128834  -0.805143      1.000
  C  -1.705855   0.064459  -1.144496      2.000
  C  -1.579228   1.335282  -0.550063      3.000
  C  -0.954603   1.692170   0.652793      4.000
  C  -0.232085   0.853973   1.494212      5.000
  C   1.341600  -0.520305  -0.073370      8.000
  C   2.655017  -1.218471   0.278568      9.000
  C   1.499401   0.561970  -1.126288     10.000
  H   0.837703  -0.897641   2.052333     16.000
  H   0.253530  -2.407922   0.262041     17.000
  H  -1.593481  -2.035224  -1.151460     11.000
  H  -2.497183  -0.015112  -1.893384     12.000
  H  -2.199303   2.115520  -0.998473     13.000
  H  -1.203179   2.679300   1.047575     14.000
  H  -0.183487   1.157263   2.545177     15.000
 17
 Energy -388.18512105    Point 43   Kin_en 173.167
  C   0.352357  -0.406045   1.235252      6.000
  C   0.155141  -1.343497  -0.044881      7.000
  C  -1.069010  -1.121137  -0.812209      1.000
  C  -1.713438   0.047549  -1.118219      2.000
  C  -1.558782   1.344691  -0.545397      3.000
  C  -0.931008   1.694972   0.641046      4.000
  C  -0.251005   0.818896   1.504880      5.000
  C   1.375775  -0.538331  -0.155895      8.000
  C   2.695325  -1.100958   0.326994      9.000
  C   1.478630   0.553875  -1.185729     10.000
  H   0.762962  -0.954712   2.081307     16.000
  H   0.310135  -2.383593   0.254412     17.000
  H  -1.535868  -2.039645  -1.178885     11.000
  H  -2.532719  -0.037593  -1.836271     12.000
  H  -2.142261   2.134714  -1.024859     13.000
  H  -1.087035   2.712510   1.002685     14.000
  H  -0.133282   1.163479   2.537121     15.000
 17
 Energy -388.17931843    Point 44   Kin_en 166.27
  C   0.209326  -0.484661   1.308598      6.000
  C   0.196984  -1.298963  -0.017573      7.000
  C  -1.040650  -1.110794  -0.822205      1.000
  C  -1.702787   0.043752  -1.103708      2.000
  C  -1.533529   1.352811  -0.536389      3.000
  C  -0.932229   1.676385   0.660147      4.000
  C  -0.302031   0.767670   1.551420      5.000
  C   1.433965  -0.546255  -0.265621      8.000
  C   2.729634  -0.982006   0.335092      9.000
  C   1.469056   0.538697  -1.269999     10.000
  H   0.649720  -1.027553   2.144317     16.000
  H   0.379792  -2.351018   0.229319     17.000
  H  -1.470311  -2.036399  -1.212627     11.000
  H  -2.531409  -0.041587  -1.811377     12.000
  H  -2.074844   2.156870  -1.040473     13.000
  H  -1.042676   2.702162   1.015266     14.000
  H  -0.193952   1.113866   2.583494     15.000
 17
 Energy -388.17519955    Point 45   Kin_en 158.011
  C   0.108316  -0.545743   1.361022      6.000
  C   0.222941  -1.267599   0.000798      7.000
  C  -1.021167  -1.104639  -0.817456      1.000
  C  -1.684579   0.049542  -1.091597      2.000
  C  -1.492780   1.359351  -0.528985      3.000
  C  -0.917033   1.658039   0.684067      4.000
  C  -0.356520   0.718492   1.598430      5.000
  C   1.465864  -0.537989  -0.337968      8.000
  C   2.743185  -0.842119   0.351917      9.000
  C   1.462908   0.478818  -1.391214     10.000
  H   0.493373  -1.120484   2.204101     16.000
  H   0.435230  -2.325027   0.208481     17.000
  H  -1.438313  -2.032489  -1.214538     11.000
  H  -2.516845  -0.029803  -1.795921     12.000
  H  -1.997044   2.178390  -1.046796     13.000
  H  -1.000617   2.686185   1.040222     14.000
  H  -0.299926   1.046239   2.640365     15.000
 17
 Energy -388.17138346    Point 46   Kin_en 150.104
  C   0.031850  -0.597386   1.399728      6.000
  C   0.240080  -1.234795   0.016409      7.000
  C  -1.006554  -1.096532  -0.809661      1.000
  C  -1.669223   0.058943  -1.080929      2.000
  C  -1.454184   1.364298  -0.517660      3.000
  C  -0.895729   1.640079   0.708875      4.000
  C  -0.401698   0.674675   1.639318      5.000
  C   1.483518  -0.523697  -0.388747      8.000
  C   2.736292  -0.699372   0.374084      9.000
  C   1.473281   0.388916  -1.522929     10.000
  H   0.326973  -1.217967   2.246844     16.000
  H   0.485524  -2.294835   0.186873     17.000
  H  -1.416751  -2.027009  -1.206920     11.000
  H  -2.502988  -0.012525  -1.784264     12.000
  H  -1.930205   2.197585  -1.039397     13.000
  H  -0.960204   2.668296   1.069293     14.000
  H  -0.403830   0.982601   2.688806     15.000
 17
 Energy -388.16858946    Point 47   Kin_en 143.097
  C  -0.025458  -0.641288   1.427234      6.000
  C   0.251231  -1.197443   0.028341      7.000
  C  -0.997129  -1.087421  -0.802252      1.000
  C  -1.655764   0.071303  -1.071775      2.000
  C  -1.420631   1.368747  -0.501446      3.000
  C  -0.874523   1.622351   0.735976      4.000
  C  -0.437295   0.635113   1.675355      5.000
  C   1.491939  -0.505304  -0.425689      8.000
  C   2.712823  -0.557817   0.395483      9.000
  C   1.498593   0.274183  -1.651237     10.000
  H   0.175094  -1.309679   2.265177     16.000
  H   0.534357  -2.258284   0.159624     17.000
  H  -1.401576  -2.021125  -1.196823     11.000
  H  -2.490275   0.009714  -1.775105     12.000
  H  -1.872859   2.215693  -1.022325     13.000
  H  -0.925129   2.649138   1.103062     14.000
  H  -0.494368   0.923800   2.728795     15.000
 17
 Energy -388.16707724    Point 48   Kin_en 137.144
  C  -0.064993  -0.677683   1.444921      6.000
  C   0.257856  -1.158530   0.035822      7.000
  C  -0.990475  -1.075974  -0.798934      1.000
  C  -1.645512   0.086428  -1.062794      2.000
  C  -1.391895   1.374246  -0.481249      3.000
  C  -0.855896   1.605176   0.765347      4.000
  C  -0.467322   0.597799   1.707754      5.000
  C   1.494223  -0.486496  -0.453612      8.000
  C   2.678783  -0.416083   0.411347      9.000
  C   1.532437   0.138608  -1.764475     10.000
  H   0.057965  -1.388408   2.262150     16.000
  H   0.579845  -2.218603   0.124366     17.000
  H  -1.389347  -2.012440  -1.191556     11.000
  H  -2.481198   0.036062  -1.765574     12.000
  H  -1.819937   2.234957  -1.000022     13.000
  H  -0.892453   2.629922   1.140107     14.000
  H  -0.570357   0.867470   2.762740     15.000
 17
 Energy -388.16668922    Point 49   Kin_en 132.104
  C  -0.089115  -0.707515   1.454738      6.000
  C   0.260318  -1.124080   0.038852      7.000
  C  -0.986455  -1.062201  -0.801352      1.000
  C  -1.636053   0.105524  -1.054764      2.000
  C  -1.364758   1.382466  -0.458056      3.000
  C  -0.841064   1.588968   0.798115      4.000
  C  -0.493028   0.561871   1.737579      5.000
  C   1.491555  -0.470436  -0.476211      8.000
  C   2.636377  -0.271881   0.416820      9.000
  C   1.569127  -0.012503  -1.855574     10.000
  H  -0.015135  -1.451924   2.247167     16.000
  H   0.616779  -2.181988   0.083579     17.000
  H  -1.381375  -1.999085  -1.195845     11.000
  H  -2.473307   0.069300  -1.756588     12.000
  H  -1.766144   2.257296  -0.974480     13.000
  H  -0.863083   2.610760   1.182369     14.000
  H  -0.629631   0.812161   2.793420     15.000
 17
 Energy -388.16681148    Point 50   Kin_en 127.735
  C  -0.103908  -0.732598   1.457367      6.000
  C   0.259621  -1.103964   0.038270      7.000
  C  -0.985351  -1.046493  -0.807376      1.000
  C  -1.622402   0.130685  -1.048898      2.000
  C  -1.335592   1.395483  -0.433592      3.000
  C  -0.829941   1.575565   0.834363      4.000
  C  -0.511271   0.529237   1.763726      5.000
  C   1.485615  -0.462678  -0.496334      8.000
  C   2.583931  -0.124717   0.409064      9.000
  C   1.603701  -0.169639  -1.920333     10.000
  H  -0.052871  -1.500807   2.228660     16.000
  H   0.635418  -2.160280   0.046745     17.000
  H  -1.383680  -1.979357  -1.206915     11.000
  H  -2.460532   0.112445  -1.750509     12.000
  H  -1.712623   2.283813  -0.945130     13.000
  H  -0.842455   2.592641   1.231733     14.000
  H  -0.665375   0.760147   2.821364     15.000
 17
 Energy -388.16688627    Point 51   Kin_en 124.124
  C  -0.114407  -0.756498   1.456089      1.000
  C   0.257523  -1.100182   0.036471      7.000
  C  -0.983737  -1.024192  -0.818836      6.000
  C  -1.600763   0.166941  -1.045622      5.000
  C  -1.307047   1.416308  -0.402498      4.000
  C  -0.823576   1.565041   0.878073      3.000
  C  -0.524710   0.496843   1.789244      2.000
  C   1.477721  -0.465253  -0.516955      8.000
  C   2.514884   0.037402   0.379397     10.000
  C   1.646265  -0.346658  -1.964104      9.000
  H  -0.071197  -1.542045   2.210585     11.000
  H   0.628099  -2.159126   0.016362     17.000
  H  -1.390455  -1.946361  -1.233596     16.000
  H  -2.436237   0.170998  -1.750903     15.000
  H  -1.665086   2.318349  -0.903284     14.000
  H  -0.835347   2.573993   1.296075     13.000
  H  -0.685104   0.706211   2.850210     12.000
 17
 Energy -388.16674203    Point 52   Kin_en 122.197
  C  -0.121678  -0.776029   1.453945      1.000
  C   0.255211  -1.113366   0.036175      7.000
  C  -0.979745  -0.999569  -0.831667      6.000
  C  -1.574968   0.205957  -1.045030      5.000
  C  -1.285055   1.440023  -0.372024      4.000
  C  -0.821129   1.559247   0.918657      3.000
  C  -0.530271   0.471675   1.809073      2.000
  C   1.468705  -0.476324  -0.534222      8.000
  C   2.441302   0.175027   0.333418     10.000
  C   1.688858  -0.499150  -1.981558      9.000
  H  -0.081655  -1.570801   2.199363     11.000
  H   0.596092  -2.179106  -0.001334     17.000
  H  -1.392802  -1.906363  -1.272831     16.000
  H  -2.402004   0.231233  -1.760071     15.000
  H  -1.634444   2.352917  -0.858737     14.000
  H  -0.839987   2.558667   1.358971     13.000
  H  -0.689527   0.662402   2.873587     12.000
 17
 Energy -388.16677838    Point 53   Kin_en 121.95
  C  -0.128082  -0.794197   1.453365      1.000
  C   0.253510  -1.141478   0.040321      7.000
  C  -0.967224  -0.967563  -0.848348      6.000
  C  -1.542241   0.251656  -1.045981      5.000
  C  -1.268821   1.468244  -0.337726      4.000
  C  -0.819774   1.557139   0.960443      3.000
  C  -0.530217   0.450201   1.827144      2.000
  C   1.457517  -0.497132  -0.550921      8.000
  C   2.352075   0.303929   0.268776     10.000
  C   1.733479  -0.647220  -1.983768      9.000
  H  -0.093617  -1.593268   2.195018     11.000
  H   0.542366  -2.216626  -0.010342     17.000
  H  -1.374891  -1.851580  -1.338338     16.000
  H  -2.350890   0.298406  -1.780927     15.000
  H  -1.617999   2.390516  -0.806266     14.000
  H  -0.851451   2.544846   1.425845     13.000
  H  -0.685849   0.623204   2.895167     12.000
 17
 Energy -388.16766587    Point 54   Kin_en 123.89
  C  -0.132679  -0.811052   1.456707      1.000
  C   0.251994  -1.177770   0.049922      7.000
  C  -0.941553  -0.928370  -0.869367      6.000
  C  -1.503479   0.301159  -1.047241      5.000
  C  -1.256654   1.498350  -0.300892      4.000
  C  -0.818688   1.556754   1.002556      3.000
  C  -0.527348   0.431043   1.845292      2.000
  C   1.440392  -0.522978  -0.568546      8.000
  C   2.248046   0.417052   0.188383     10.000
  C   1.775902  -0.786437  -1.975577      9.000
  H  -0.104459  -1.610887   2.198400     11.000
  H   0.479772  -2.260895  -0.011429     17.000
  H  -1.323747  -1.781799  -1.429890     16.000
  H  -2.283293   0.369476  -1.811166     15.000
  H  -1.607932   2.429063  -0.750485     14.000
  H  -0.862490   2.531795   1.493005     13.000
  H  -0.679110   0.588153   2.916332     12.000
 17
 Energy -388.16984784    Point 55   Kin_en 128.586
  C  -0.134797  -0.826182   1.464233      1.000
  C   0.251037  -1.213952   0.064445      7.000
  C  -0.897905  -0.881719  -0.896134      6.000
  C  -1.459847   0.352345  -1.048046      5.000
  C  -1.249553   1.528113  -0.261579      4.000
  C  -0.822452   1.555846   1.046034      3.000
  C  -0.524953   0.412949   1.865171      2.000
  C   1.414018  -0.548749  -0.589266      8.000
  C   2.137458   0.510769   0.093987     10.000
  C   1.814481  -0.919297  -1.959125      9.000
  H  -0.111019  -1.625700   2.206982     11.000
  H   0.419360  -2.302138  -0.006506     17.000
  H  -1.231779  -1.697042  -1.539057     16.000
  H  -2.202285   0.441671  -1.846229     15.000
  H  -1.603980   2.466421  -0.692192     14.000
  H  -0.877713   2.517558   1.561007     13.000
  H  -0.673289   0.554972   2.938829     12.000
 17
 Energy -388.17321576    Point 56   Kin_en 136.256
  C  -0.134493  -0.839473   1.475415      1.000
  C   0.250629  -1.245737   0.083516      7.000
  C  -0.832902  -0.827951  -0.928684      6.000
  C  -1.409093   0.404816  -1.049790      5.000
  C  -1.248178   1.555528  -0.220405      4.000
  C  -0.835417   1.552459   1.091636      3.000
  C  -0.523391   0.395879   1.887708      2.000
  C   1.374631  -0.571657  -0.615042      8.000
  C   2.029948   0.584045  -0.011391     10.000
  C   1.844243  -1.046716  -1.935661      9.000
  H  -0.112942  -1.639040   2.218702     11.000
  H   0.364840  -2.336468   0.002364     17.000
  H  -1.103225  -1.600369  -1.649853     16.000
  H  -2.108001   0.515017  -1.883832     15.000
  H  -1.610380   2.499835  -0.630561     14.000
  H  -0.906899   2.499679   1.630948     13.000
  H  -0.667029   0.523416   2.963851     12.000
 17
 Energy -388.17720967    Point 57   Kin_en 146.482
  C  -0.134803  -0.852595   1.488562      1.000
  C   0.251129  -1.271226   0.107245      7.000
  C  -0.744683  -0.767542  -0.966866      6.000
  C  -1.351417   0.458056  -1.052450      5.000
  C  -1.251191   1.578261  -0.179640      4.000
  C  -0.856818   1.543984   1.138360      3.000
  C  -0.520770   0.379870   1.912922      2.000
  C   1.316706  -0.586493  -0.648713      8.000
  C   1.936002   0.638714  -0.121917     10.000
  C   1.860386  -1.168526  -1.904882      9.000
  H  -0.117840  -1.654249   2.230306     11.000
  H   0.318970  -2.362138   0.012338     17.000
  H  -0.957269  -1.500958  -1.744890     16.000
  H  -2.007165   0.588373  -1.918142     15.000
  H  -1.631427   2.525519  -0.565471     14.000
  H  -0.955891   2.474672   1.701745     13.000
  H  -0.656877   0.494319   2.991468     12.000
 17
 Energy -388.18172581    Point 58   Kin_en 158.476
  C  -0.138084  -0.866368   1.502738      1.000
  C   0.252447  -1.298826   0.144158      7.000
  C  -0.621078  -0.696944  -1.014042      6.000
  C  -1.290098   0.510731  -1.053507      5.000
  C  -1.253210   1.595088  -0.145627      4.000
  C  -0.879054   1.530274   1.182066      3.000
  C  -0.512799   0.369461   1.938997      2.000
  C   1.221855  -0.591084  -0.694733      8.000
  C   1.864714   0.667923  -0.222185     10.000
  C   1.853113  -1.274083  -1.874002      9.000
  H  -0.137564  -1.668957   2.244755     11.000
  H   0.274357  -2.387298   0.029218     17.000
  H  -0.820304  -1.412563  -1.810193     16.000
  H  -1.920203   0.652620  -1.936772     15.000
  H  -1.667433   2.539355  -0.502233     14.000
  H  -1.021872   2.442124   1.766986     13.000
  H  -0.634284   0.475645   3.019892     12.000
 17
 Energy -388.18933655    Point 59   Kin_en 169.726
  C  -0.146569  -0.885058   1.510990      1.000
  C   0.254358  -1.338193   0.204717      7.000
  C  -0.468874  -0.605141  -1.085650      6.000
  C  -1.257062   0.555098  -1.048880      5.000
  C  -1.258992   1.601688  -0.126229      4.000
  C  -0.883318   1.514592   1.215405      3.000
  C  -0.488139   0.374652   1.956722      2.000
  C   1.097332  -0.581893  -0.752148      8.000
  C   1.819617   0.668383  -0.290472     10.000
  C   1.836970  -1.357957  -1.836039      9.000
  H  -0.188445  -1.680132   2.261791     11.000
  H   0.226732  -2.420495   0.061032     17.000
  H  -0.734733  -1.348925  -1.836093     16.000
  H  -1.927776   0.670711  -1.906480     15.000
  H  -1.741871   2.529101  -0.439147     14.000
  H  -1.076607   2.408433   1.813979     13.000
  H  -0.574110   0.482248   3.040487     12.000
 17
 Energy -388.19395079    Point 60   Kin_en 178.169
  C  -0.138595  -0.885002   1.511472      1.000
  C   0.249423  -1.335283   0.225304      7.000
  C  -0.401357  -0.526995  -1.178889      6.000
  C  -1.266669   0.579751  -1.055757      5.000
  C  -1.322183   1.578309  -0.090679      4.000
  C  -0.903227   1.501628   1.246673      3.000
  C  -0.447726   0.387542   1.973465      2.000
  C   1.067897  -0.574115  -0.785324      8.000
  C   1.812820   0.678720  -0.364648     10.000
  C   1.869124  -1.458309  -1.742081      9.000
  H  -0.190379  -1.681299   2.261446     11.000
  H   0.199341  -2.413473   0.062584     17.000
  H  -0.695078  -1.284858  -1.906737     16.000
  H  -1.989806   0.670370  -1.873042     15.000
  H  -1.899450   2.467165  -0.354067     14.000
  H  -1.129506   2.383141   1.851534     13.000
  H  -0.480798   0.498998   3.059602     12.000
 17
 Energy -388.19484095    Point 61   Kin_en 182.697
  C  -0.135703  -0.883710   1.507635      5.000
  C   0.241497  -1.322034   0.218239      6.000
  C  -0.385165  -0.506620  -1.205585      7.000
  C  -1.261608   0.593143  -1.057324      1.000
  C  -1.344967   1.567660  -0.070798      2.000
  C  -0.923491   1.491286   1.266984      3.000
  C  -0.444731   0.383611   1.985883      4.000
  C   1.069358  -0.568646  -0.801050      8.000
  C   1.812628   0.695281  -0.420233     10.000
  C   1.895992  -1.503446  -1.686312      9.000
  H  -0.175440  -1.687517   2.250409     15.000
  H   0.193002  -2.399593   0.051473     16.000
  H  -0.687920  -1.260690  -1.934146     17.000
  H  -1.988724   0.687792  -1.870926     11.000
  H  -1.948968   2.442881  -0.319946     12.000
  H  -1.167562   2.364731   1.876595     13.000
  H  -0.461283   0.489107   3.072823     14.000
 17
 Energy -388.19222706    Point 62   Kin_en 177.213
  C  -0.132200  -0.886151   1.487636      5.000
  C   0.158987  -1.313506   0.178316      6.000
  C  -0.393516  -0.509743  -1.229327      7.000
  C  -1.285206   0.585513  -1.052659      1.000
  C  -1.359814   1.540259  -0.049767      2.000
  C  -0.868602   1.487794   1.269451      3.000
  C  -0.353347   0.395010   1.979889      4.000
  C   1.049008  -0.553414  -0.818110      8.000
  C   1.757604   0.737050  -0.447356     10.000
  C   1.939949  -1.536717  -1.576860      9.000
  H  -0.140682  -1.691735   2.229146     15.000
  H   0.114900  -2.388800   0.002684     16.000
  H  -0.696290  -1.254568  -1.967808     17.000
  H  -2.029652   0.683594  -1.849430     11.000
  H  -1.996788   2.400382  -0.268437     12.000
  H  -1.078872   2.374247   1.873044     13.000
  H  -0.279181   0.518723   3.062137     14.000
 17
 Energy -388.18512105    Point 63   Kin_en 171.446
  C  -0.154833  -0.911736   1.463906      5.000
  C  -0.019320  -1.339073   0.146240      6.000
  C  -0.353332  -0.531996  -1.192981      7.000
  C  -1.272020   0.595046  -1.042737      1.000
  C  -1.377643   1.513139  -0.032438      2.000
  C  -0.839410   1.473796   1.287933      3.000
  C  -0.316622   0.387839   1.974836      4.000
  C   1.081185  -0.494328  -0.890809      8.000
  C   1.741770   0.794745  -0.483418     10.000
  C   2.003675  -1.535975  -1.486567      9.000
  H  -0.077020  -1.710239   2.208525     15.000
  H   0.021154  -2.413359  -0.026143     16.000
  H  -0.646302  -1.244732  -1.968593     17.000
  H  -1.985995   0.698154  -1.864730     11.000
  H  -2.048498   2.353928  -0.225040     12.000
  H  -1.004150   2.376403   1.881758     13.000
  H  -0.134615   0.517845   3.042770     14.000
 17
 Energy -388.17931843    Point 64   Kin_en 166.609
  C  -0.215117  -0.962449   1.454256      5.000
  C  -0.188013  -1.390580   0.148594      6.000
  C  -0.311165  -0.547025  -1.153411      7.000
  C  -1.249647   0.601701  -1.034009      1.000
  C  -1.373454   1.494314  -0.014911      2.000
  C  -0.805999   1.455468   1.304415      3.000
  C  -0.312348   0.356377   1.972447      4.000
  C   1.141071  -0.414775  -0.975256      8.000
  C   1.735009   0.869050  -0.543792     10.000
  C   2.068830  -1.499310  -1.414051      9.000
  H  -0.138637  -1.760041   2.199043     15.000
  H  -0.116766  -2.461937  -0.036397     16.000
  H  -0.580840  -1.224524  -1.971618     17.000
  H  -1.935464   0.713811  -1.877140     11.000
  H  -2.056923   2.328773  -0.191657     12.000
  H  -0.919535   2.369672   1.891761     13.000
  H  -0.076277   0.477512   3.030805     14.000
 17
 Energy -388.17519955    Point 65   Kin_en 163.676
  C  -0.285713  -1.013883   1.445242      5.000
  C  -0.311347  -1.429925   0.142561      6.000
  C  -0.282648  -0.552317  -1.127637      7.000
  C  -1.233719   0.600349  -1.024090      1.000
  C  -1.355787   1.481104   0.003904      2.000
  C  -0.762003   1.432208   1.313082      3.000
  C  -0.301690   0.312959   1.966985      4.000
  C   1.180249  -0.353083  -1.017230      8.000
  C   1.722751   0.956182  -0.650147     10.000
  C   2.126455  -1.457599  -1.308309      9.000
  H  -0.262346  -1.815780   2.188655     15.000
  H  -0.305011  -2.502143  -0.056657     16.000
  H  -0.525007  -1.201814  -1.979558     17.000
  H  -1.911025   0.718660  -1.872530     11.000
  H  -2.041037   2.317307  -0.158058     12.000
  H  -0.831429   2.349676   1.901868     13.000
  H  -0.036454   0.419944   3.020134     14.000
 17
 Energy -388.17138346    Point 66   Kin_en 163.365
  C  -0.352174  -1.061341   1.432983      5.000
  C  -0.407633  -1.460944   0.128855      6.000
  C  -0.255720  -0.551654  -1.101322      7.000
  C  -1.216806   0.599242  -1.015566      1.000
  C  -1.338881   1.471459   0.019892      2.000
  C  -0.727372   1.404874   1.319541      3.000
  C  -0.295091   0.266091   1.958778      4.000
  C   1.210424  -0.302963  -1.034066      8.000
  C   1.718814   1.037540  -0.781226     10.000
  C   2.172211  -1.414390  -1.182098      9.000
  H  -0.392480  -1.864239   2.174588     15.000
  H  -0.501840  -2.525658  -0.088699     16.000
  H  -0.462634  -1.174082  -1.986058     17.000
  H  -1.887620   0.720277  -1.868342     11.000
  H  -2.021922   2.311616  -0.130242     12.000
  H  -0.765189   2.319042   1.916232     13.000
  H  -0.014288   0.356954   3.009578     14.000
 17
 Energy -388.16858946    Point 67   Kin_en 165.729
  C  -0.412452  -1.104707   1.418067      5.000
  C  -0.481496  -1.484910   0.109995      6.000
  C  -0.227659  -0.545629  -1.071565      7.000
  C  -1.200650   0.598877  -1.010022      1.000
  C  -1.323266   1.463998   0.031906      2.000
  C  -0.704080   1.375203   1.325215      3.000
  C  -0.296451   0.218839   1.950052      4.000
  C   1.235870  -0.260754  -1.032985      8.000
  C   1.721968   1.104004  -0.929269     10.000
  C   2.206939  -1.367359  -1.042462      9.000
  H  -0.514641  -1.905752   2.155778     15.000
  H  -0.677750  -2.529839  -0.132334     16.000
  H  -0.390089  -1.140430  -1.989500     17.000
  H  -1.863488   0.719278  -1.868636     11.000
  H  -2.002416   2.308918  -0.108598     12.000
  H  -0.718090   2.283361   1.932009     13.000
  H  -0.009865   0.293483   3.000718     14.000
 17
 Energy -388.16707724    Point 68   Kin_en 170.767
  C  -0.468330  -1.143095   1.402205      5.000
  C  -0.533526  -1.502890   0.089156      6.000
  C  -0.199938  -0.536430  -1.040304      7.000
  C  -1.183827   0.600603  -1.007416      1.000
  C  -1.311031   1.457469   0.041142      2.000
  C  -0.689697   1.345941   1.330521      3.000
  C  -0.304833   0.174389   1.942053      4.000
  C   1.257033  -0.225503  -1.021842      8.000
  C   1.725888   1.147935  -1.088349     10.000
  C   2.234736  -1.313601  -0.893654      9.000
  H  -0.624683  -1.941361   2.133409     15.000
  H  -0.810725  -2.521466  -0.182456     16.000
  H  -0.312677  -1.101983  -1.990416     17.000
  H  -1.836640   0.718931  -1.873472     11.000
  H  -1.986806   2.306325  -0.091442     12.000
  H  -0.681981   2.248098   1.946331     13.000
  H  -0.015133   0.234082   2.992956     14.000
 17
 Energy -388.16668922    Point 69   Kin_en 177.99
  C  -0.519158  -1.176106   1.387519      5.000
  C  -0.565701  -1.516540   0.069784      6.000
  C  -0.175698  -0.527413  -1.011829      7.000
  C  -1.167406   0.604272  -1.007743      1.000
  C  -1.299948   1.451968   0.047541      2.000
  C  -0.679411   1.319022   1.334981      3.000
  C  -0.319007   0.134389   1.936329      4.000
  C   1.273015  -0.196214  -1.006855      8.000
  C   1.725622   1.164968  -1.253216     10.000
  C   2.257558  -1.247826  -0.737906      9.000
  H  -0.718070  -1.972736   2.109959     15.000
  H  -0.891862  -2.511807  -0.231254     16.000
  H  -0.239948  -1.063949  -1.989701     17.000
  H  -1.809333   0.721640  -1.881524     11.000
  H  -1.972766   2.304300  -0.077794     12.000
  H  -0.649518   2.216423   1.957001     13.000
  H  -0.027544   0.180850   2.987560     14.000
 17
 Energy -388.16681148    Point 70   Kin_en 186.505
  C  -0.559582  -1.202325   1.376045      5.000
  C  -0.583825  -1.525651   0.054341      6.000
  C  -0.158359  -0.523792  -0.994068      7.000
  C  -1.153146   0.606926  -1.009858      1.000
  C  -1.284892   1.447720   0.051095      2.000
  C  -0.668108   1.296655   1.338468      3.000
  C  -0.336614   0.100754   1.934918      4.000
  C   1.282906  -0.173272  -0.995791      8.000
  C   1.718625   1.154072  -1.415188     10.000
  C   2.273455  -1.165209  -0.577301      9.000
  H  -0.785262  -2.000503   2.088538     15.000
  H  -0.930068  -2.506873  -0.269637     16.000
  H  -0.188064  -1.037634  -1.990150     17.000
  H  -1.788734   0.725460  -1.887646     11.000
  H  -1.954083   2.303933  -0.067805     12.000
  H  -0.620393   2.190231   1.964726     13.000
  H  -0.049505   0.136340   2.987916     14.000
 17
 Energy -388.16688627    Point 71   Kin_en 197.253
  C  -0.593825  -1.223645   1.368808      2.000
  C  -0.592785  -1.533690   0.044393      1.000
  C  -0.145372  -0.530484  -0.987675      7.000
  C  -1.135506   0.608376  -1.013757      6.000
  C  -1.262148   1.444976   0.051613      5.000
  C  -0.660871   1.277577   1.344377      4.000
  C  -0.361488   0.072747   1.939762      3.000
  C   1.289053  -0.155366  -0.990740      8.000
  C   1.711310   1.109065  -1.590426      9.000
  C   2.282690  -1.048044  -0.401140     10.000
  H  -0.835649  -2.025824   2.071116     12.000
  H  -0.940313  -2.509745  -0.294369     11.000
  H  -0.163062  -1.028343  -1.993119     17.000
  H  -1.764530   0.734569  -1.894805     16.000
  H  -1.924596   2.306903  -0.065429     15.000
  H  -0.604370   2.167655   1.974635     14.000
  H  -0.090685   0.098635   2.997515     13.000
 17
 Energy -388.16674203    Point 72   Kin_en 207.198
  C  -0.614784  -1.236049   1.367711      2.000
  C  -0.595087  -1.541120   0.042429      1.000
  C  -0.138522  -0.548461  -0.992988      7.000
  C  -1.116143   0.606892  -1.018144      6.000
  C  -1.236045   1.443901   0.048694      5.000
  C  -0.659297   1.266414   1.350910      4.000
  C  -0.386578   0.056551   1.948537      3.000
  C   1.290210  -0.145394  -0.991760      8.000
  C   1.710133   1.043311  -1.736350      9.000
  C   2.278320  -0.920381  -0.252816     10.000
  H  -0.863288  -2.041770   2.063403     12.000
  H  -0.936951  -2.518797  -0.298439     11.000
  H  -0.170155  -1.038300  -1.999202     17.000
  H  -1.734255   0.748150  -1.904429     16.000
  H  -1.887096   2.313940  -0.074089     15.000
  H  -0.605775   2.154459   1.984036     14.000
  H  -0.139374   0.076743   3.012282     13.000
 17
 Energy -388.16677838    Point 73   Kin_en 217.636
  C  -0.628291  -1.242964   1.372063      2.000
  C  -0.594287  -1.550478   0.047590      1.000
  C  -0.134716  -0.580812  -1.006664      7.000
  C  -1.085953   0.604536  -1.023052      6.000
  C  -1.203157   1.444458   0.043247      5.000
  C  -0.665000   1.260455   1.359682      4.000
  C  -0.413202   0.048175   1.961149      3.000
  C   1.287122  -0.141837  -0.999104      8.000
  C   1.714085   0.956726  -1.872368      9.000
  C   2.256125  -0.770274  -0.115964     10.000
  H  -0.880142  -2.050551   2.064304     12.000
  H  -0.930353  -2.533525  -0.284720     11.000
  H  -0.201353  -1.065374  -2.008017     17.000
  H  -1.676161   0.775939  -1.923078     16.000
  H  -1.833063   2.327682  -0.095956     15.000
  H  -0.625118   2.147432   1.995073     14.000
  H  -0.196892   0.065186   3.031704     13.000
 17
 Energy -388.16766587    Point 74   Kin_en 228.23
  C  -0.638423  -1.246528   1.381151      2.000
  C  -0.591112  -1.563476   0.059461      1.000
  C  -0.132422  -0.624909  -1.022295      7.000
  C  -1.040501   0.602771  -1.028697      6.000
  C  -1.164397   1.445950   0.035653      5.000
  C  -0.675929   1.258583   1.368889      4.000
  C  -0.440739   0.045759   1.975476      3.000
  C   1.277928  -0.140875  -1.009225      8.000
  C   1.722170   0.856468  -1.993944      9.000
  C   2.212929  -0.605041   0.000342     10.000
  H  -0.892526  -2.053409   2.073406     12.000
  H  -0.920917  -2.554373  -0.256755     11.000
  H  -0.241931  -1.106625  -2.014648     17.000
  H  -1.578306   0.818073  -1.952282     16.000
  H  -1.762415   2.346791  -0.129315     15.000
  H  -0.653117   2.146009   2.004272     14.000
  H  -0.255509   0.061792   3.051857     13.000
 17
 Energy -388.16984784    Point 75   Kin_en 239.506
  C  -0.648589  -1.248730   1.394622      2.000
  C  -0.585385  -1.579886   0.077519      1.000
  C  -0.129195  -0.675950  -1.033080      7.000
  C  -0.975467   0.603494  -1.034880      6.000
  C  -1.121140   1.447762   0.027084      5.000
  C  -0.692541   1.259158   1.378348      4.000
  C  -0.473225   0.047022   1.991260      3.000
  C   1.260806  -0.137365  -1.019465      8.000
  C   1.731473   0.745052  -2.102978      9.000
  C   2.155050  -0.431817   0.087966     10.000
  H  -0.904766  -2.053191   2.088979     12.000
  H  -0.907109  -2.579708  -0.219668     11.000
  H  -0.279640  -1.157296  -2.014501     17.000
  H  -1.435937   0.868381  -1.987443     16.000
  H  -1.678756   2.367820  -0.170014     15.000
  H  -0.688189   2.148149   2.011708     14.000
  H  -0.318440   0.063645   3.072420     13.000
 17
 Energy -388.17321576    Point 76   Kin_en 251.871
  C  -0.658418  -1.251195   1.412479      2.000
  C  -0.577759  -1.598642   0.100954      1.000
  C  -0.125245  -0.730290  -1.035684      7.000
  C  -0.888679   0.607724  -1.040483      6.000
  C  -1.070443   1.450956   0.018902      5.000
  C  -0.713860   1.260890   1.388075      4.000
  C  -0.513292   0.049788   2.008426      3.000
  C   1.231950  -0.127182  -1.029953      8.000
  C   1.734901   0.626003  -2.200424      9.000
  C   2.091587  -0.258970   0.141855     10.000
  H  -0.914642  -2.052842   2.110112     12.000
  H  -0.890202  -2.607316  -0.176903     11.000
  H  -0.312369  -1.212211  -2.006282     17.000
  H  -1.258164   0.916683  -2.019163     16.000
  H  -1.581499   2.389870  -0.212411     15.000
  H  -0.732024   2.151239   2.019015     14.000
  H  -0.392433   0.068303   3.093895     13.000
 17
 Energy -388.17720967    Point 77   Kin_en 265.295
  C  -0.665029  -1.255063   1.434339      2.000
  C  -0.572051  -1.617839   0.127522      1.000
  C  -0.121638  -0.785761  -1.028769      7.000
  C  -0.779532   0.616373  -1.044469      6.000
  C  -1.011834   1.455957   0.013205      5.000
  C  -0.736467   1.263259   1.396586      4.000
  C  -0.558228   0.051863   2.024742      3.000
  C   1.186307  -0.103888  -1.039424      8.000
  C   1.724634   0.501818  -2.286674      9.000
  C   2.033548  -0.096155   0.162365     10.000
  H  -0.917165  -2.053950   2.136544     12.000
  H  -0.879398  -2.633201  -0.132667     11.000
  H  -0.339932  -1.266319  -1.990596     17.000
  H  -1.070264   0.952338  -2.039967     16.000
  H  -1.477201   2.410363  -0.249389     15.000
  H  -0.786031   2.152952   2.026453     14.000
  H  -0.479947   0.073900   3.114138     13.000
 17
 Energy -388.18172581    Point 78   Kin_en 278.523
  C  -0.663998  -1.260227   1.459488      2.000
  C  -0.574828  -1.635338   0.152069      1.000
  C  -0.126118  -0.849469  -1.016838      7.000
  C  -0.634910   0.636155  -1.044963      6.000
  C  -0.945034   1.463458   0.016648      5.000
  C  -0.748757   1.266776   1.403813      4.000
  C  -0.596715   0.049517   2.037949      3.000
  C   1.105274  -0.057609  -1.048816      8.000
  C   1.691353   0.389825  -2.357236      9.000
  C   1.987299   0.030828   0.149467     10.000
  H  -0.904047  -2.057254   2.167651     12.000
  H  -0.893139  -2.652860  -0.088900     11.000
  H  -0.379347  -1.318551  -1.973028     17.000
  H  -0.903369   0.973184  -2.044962     16.000
  H  -1.383258   2.424545  -0.269001     15.000
  H  -0.841465   2.151122   2.036051     14.000
  H  -0.572198   0.075982   3.130055     13.000
 17
 Energy -388.18933655    Point 79   Kin_en 289.888
  C  -0.644260  -1.258866   1.485796      2.000
  C  -0.588938  -1.647506   0.163634      1.000
  C  -0.141050  -0.933241  -1.003261      7.000
  C  -0.453292   0.687391  -1.042446      6.000
  C  -0.902831   1.473954   0.028991      5.000
  C  -0.758443   1.274613   1.402328      4.000
  C  -0.613816   0.042691   2.042757      3.000
  C   0.999242   0.013013  -1.053475      8.000
  C   1.653019   0.288245  -2.402913      9.000
  C   1.953795   0.100925   0.120889     10.000
  H  -0.851705  -2.057391   2.201924     12.000
  H  -0.946192  -2.660177  -0.047235     11.000
  H  -0.433748  -1.375536  -1.957981     17.000
  H  -0.797315   0.976837  -2.034883     16.000
  H  -1.390056   2.407263  -0.271427     15.000
  H  -0.928809   2.141420   2.043269     14.000
  H  -0.646368   0.076793   3.134719     13.000
 17
 Energy -388.19395079    Point 80   Kin_en 303.201
  C  -0.600385  -1.253999   1.520603      2.000
  C  -0.564181  -1.652940   0.190979      1.000
  C  -0.130942  -0.967520  -0.970935      7.000
  C  -0.356756   0.761605  -1.058903      6.000
  C  -0.921230   1.485390   0.011760      5.000
  C  -0.852980   1.268002   1.382768      4.000
  C  -0.654291   0.048229   2.048042      3.000
  C   0.984266   0.042249  -1.056494      8.000
  C   1.657943   0.122586  -2.427208      9.000
  C   1.957991   0.191762   0.097188     10.000
  H  -0.752389  -2.054312   2.248341     12.000
  H  -0.918518  -2.670854  -0.002739     11.000
  H  -0.430310  -1.408101  -1.923692     17.000
  H  -0.730771   1.009518  -2.053408     16.000
  H  -1.478808   2.374967  -0.299452     15.000
  H  -1.144062   2.108857   2.015943     14.000
  H  -0.729968   0.099777   3.136960     13.000
 17
 Energy -388.19484095    Point 81   Kin_en 309.33
  C  -0.591251  -1.252238   1.539804      4.000
  C  -0.546021  -1.652289   0.210054      5.000
  C  -0.124099  -0.966279  -0.951118      6.000
  C  -0.337811   0.772930  -1.070941      7.000
  C  -0.926171   1.484458   0.000121      1.000
  C  -0.893652   1.262202   1.371037      2.000
  C  -0.682639   0.052226   2.052631      3.000
  C   0.990347   0.052497  -1.060671      8.000
  C   1.667988   0.029880  -2.432223      9.000
  C   1.967207   0.263974   0.077752     10.000
  H  -0.722946  -2.052430   2.271371     14.000
  H  -0.880246  -2.677255   0.017350     15.000
  H  -0.415766  -1.418739  -1.900596     16.000
  H  -0.720085   1.009433  -2.065433     17.000
  H  -1.494520   2.365161  -0.317598     11.000
  H  -1.224186   2.096423   1.993712     12.000
  H  -0.780219   0.113486   3.139290     13.000
 17
 Energy -388.19222706    Point 82   Kin_en 306.541
  C  -0.503376  -1.238841   1.553297      4.000
  C  -0.520767  -1.641626   0.222864      5.000
  C  -0.170462  -0.931501  -0.941073      6.000
  C  -0.339506   0.764536  -1.107320      7.000
  C  -0.971450   1.468681  -0.043960      1.000
  C  -0.952722   1.249148   1.325109      2.000
  C  -0.659304   0.068173   2.034742      3.000
  C   0.989909   0.071287  -1.044504      8.000
  C   1.721162  -0.112651  -2.374089      9.000
  C   1.922111   0.351415   0.120566     10.000
  H  -0.541726  -2.033081   2.301481     14.000
  H  -0.808355  -2.682475   0.041752     15.000
  H  -0.437053  -1.400423  -1.888749     16.000
  H  -0.708051   0.988053  -2.110319     17.000
  H  -1.565520   2.327517  -0.372814     11.000
  H  -1.342266   2.066801   1.935901     12.000
  H  -0.736121   0.154673   3.121459     13.000
 17
 Energy -388.18512105    Point 83   Kin_en 299.935
  C  -0.456330  -1.223009   1.564179      4.000
  C  -0.520892  -1.636335   0.222123      5.000
  C  -0.326363  -0.903132  -0.944837      6.000
  C  -0.316612   0.685803  -1.122719      7.000
  C  -0.980240   1.447133  -0.065951      1.000
  C  -1.003039   1.235711   1.286653      2.000
  C  -0.646204   0.070527   2.028028      3.000
  C   1.045882   0.149108  -1.044394      8.000
  C   1.784412  -0.218372  -2.313438      9.000
  C   1.917310   0.449442   0.144918     10.000
  H  -0.378104  -2.011884   2.313892     14.000
  H  -0.706707  -2.702841   0.060397     15.000
  H  -0.499680  -1.416666  -1.889128     16.000
  H  -0.663292   0.928347  -2.130878     17.000
  H  -1.552502   2.305190  -0.429708     11.000
  H  -1.448023   2.035671   1.883412     12.000
  H  -0.680380   0.184954   3.114402     13.000
 17
 Energy -388.17931843    Point 84   Kin_en 290.545
  C  -0.438483  -1.211260   1.567065      4.000
  C  -0.564953  -1.648961   0.221814      5.000
  C  -0.489567  -0.926594  -0.944928      6.000
  C  -0.294485   0.606536  -1.127745      7.000
  C  -0.979027   1.423512  -0.089221      1.000
  C  -1.020777   1.224837   1.255930      2.000
  C  -0.617390   0.077289   2.020489      3.000
  C   1.125955   0.240032  -1.048721      8.000
  C   1.847420  -0.292732  -2.242515      9.000
  C   1.926175   0.573341   0.149478     10.000
  H  -0.296034  -1.991105   2.316782     14.000
  H  -0.736617  -2.720797   0.086133     15.000
  H  -0.624885  -1.459633  -1.885494     16.000
  H  -0.611539   0.869521  -2.143377     17.000
  H  -1.532700   2.280028  -0.481148     11.000
  H  -1.491752   2.018702   1.841294     12.000
  H  -0.598794   0.217435   3.103839     13.000
 17
 Energy -388.17519955    Point 85   Kin_en 282.054
  C  -0.412945  -1.192645   1.570052      4.000
  C  -0.617211  -1.661390   0.239061      5.000
  C  -0.605715  -0.959688  -0.934910      6.000
  C  -0.282827   0.537025  -1.134955      7.000
  C  -0.986759   1.393312  -0.127407      1.000
  C  -1.022930   1.222962   1.220582      2.000
  C  -0.575046   0.102679   2.003705      3.000
  C   1.173519   0.285949  -1.045704      8.000
  C   1.899794  -0.399756  -2.142208      9.000
  C   1.933056   0.744318   0.118871     10.000
  H  -0.230194  -1.956791   2.327417     14.000
  H  -0.825281  -2.730498   0.139245     15.000
  H  -0.797775  -1.501628  -1.861620     16.000
  H  -0.571530   0.799591  -2.161631     17.000
  H  -1.544690   2.234351  -0.544489     11.000
  H  -1.507068   2.018542   1.793031     12.000
  H  -0.511824   0.270023   3.081311     13.000
 17
 Energy -388.17138346    Point 86   Kin_en 275.273
  C  -0.388901  -1.168413   1.574249      4.000
  C  -0.664782  -1.670802   0.265322      5.000
  C  -0.695834  -0.993637  -0.919578      6.000
  C  -0.272512   0.468371  -1.135338      7.000
  C  -0.992132   1.363346  -0.167469      1.000
  C  -1.020663   1.229721   1.184999      2.000
  C  -0.537507   0.136309   1.984046      3.000
  C   1.204100   0.305200  -1.040771      8.000
  C   1.937028  -0.518820  -2.023636      9.000
  C   1.944936   0.925211   0.048304     10.000
  H  -0.178573  -1.914387   2.342736     14.000
  H  -0.919976  -2.732833   0.208631     15.000
  H  -0.980373  -1.533593  -1.823629     16.000
  H  -0.528144   0.724712  -2.175495     17.000
  H  -1.557407   2.184462  -0.612552     11.000
  H  -1.511255   2.031924   1.742440     12.000
  H  -0.441200   0.329019   3.054915     13.000
 17
 Energy -388.16858946    Point 87   Kin_en 269.67
  C  -0.370960  -1.141084   1.580757      4.000
  C  -0.706451  -1.677528   0.297046      5.000
  C  -0.764983  -1.026450  -0.900053      6.000
  C  -0.260677   0.400830  -1.126576      7.000
  C  -0.996398   1.335860  -0.207432      1.000
  C  -1.015172   1.242753   1.149057      2.000
  C  -0.507540   0.173683   1.963503      3.000
  C   1.224918   0.306517  -1.033464      8.000
  C   1.962790  -0.637659  -1.888869      9.000
  C   1.957747   1.100379  -0.062713     10.000
  H  -0.142164  -1.867503   2.362787     14.000
  H  -1.007610  -2.728959   0.285710     15.000
  H  -1.143541  -1.553715  -1.776296     16.000
  H  -0.476658   0.649180  -2.182253     17.000
  H  -1.568072   2.134468  -0.683333     11.000
  H  -1.508254   2.054436   1.690273     12.000
  H  -0.384236   0.391688   3.026713     13.000
 17
 Energy -388.16707724    Point 88   Kin_en 264.657
  C  -0.359398  -1.112273   1.590153      4.000
  C  -0.744203  -1.681603   0.332490      5.000
  C  -0.813231  -1.058165  -0.877620      6.000
  C  -0.247890   0.337117  -1.111246      7.000
  C  -0.998044   1.311735  -0.245595      1.000
  C  -1.010407   1.258612   1.113412      2.000
  C  -0.484526   0.212118   1.943647      3.000
  C   1.239004   0.297799  -1.025343      8.000
  C   1.984629  -0.747353  -1.738080      9.000
  C   1.963113   1.258110  -0.210453     10.000
  H  -0.114651  -1.818240   2.386140     14.000
  H  -1.084567  -2.720582   0.364269     15.000
  H  -1.265629  -1.569114  -1.727549     16.000
  H  -0.420163   0.577956  -2.182503     17.000
  H  -1.573911   2.087044  -0.753032     11.000
  H  -1.505249   2.080547   1.637207     12.000
  H  -0.335112   0.456329   2.997785     13.000
 17
 Energy -388.16668922    Point 89   Kin_en 259.257
  C  -0.353981  -1.084045   1.602730      4.000
  C  -0.778275  -1.683787   0.370279      5.000
  C  -0.843001  -1.089174  -0.853131      6.000
  C  -0.237128   0.280125  -1.094592      7.000
  C  -0.997732   1.291936  -0.280999      1.000
  C  -1.004373   1.275707   1.078954      2.000
  C  -0.464285   0.249683   1.925017      3.000
  C   1.246996   0.284859  -1.018175      8.000
  C   2.006305  -0.840204  -1.570650      9.000
  C   1.955789   1.389079  -0.388356     10.000
  H  -0.095067  -1.769677   2.412090     14.000
  H  -1.148092  -2.710690   0.439636     15.000
  H  -1.340130  -1.589722  -1.683718     16.000
  H  -0.367744   0.513171  -2.179425     17.000
  H  -1.575877   2.045355  -0.817139     11.000
  H  -1.500114   2.107541   1.586059     12.000
  H  -0.287336   0.520776   2.968247     13.000
 17
 Energy -388.16681148    Point 90   Kin_en 252.579
  C  -0.353073  -1.059139   1.618929      4.000
  C  -0.804691  -1.684564   0.408577      5.000
  C  -0.860890  -1.116534  -0.826823      6.000
  C  -0.232552   0.233277  -1.085867      7.000
  C  -0.996805   1.275420  -0.312414      1.000
  C  -0.991052   1.292220   1.047585      2.000
  C  -0.441309   0.283981   1.908869      3.000
  C   1.248593   0.272837  -1.016882      8.000
  C   2.026114  -0.909437  -1.388299      9.000
  C   1.934633   1.484920  -0.583537     10.000
  H  -0.087006  -1.726057   2.441687     14.000
  H  -1.191410  -2.702613   0.507018     15.000
  H  -1.378168  -1.618400  -1.644255     16.000
  H  -0.336855   0.454768  -2.180015     17.000
  H  -1.579891   2.009468  -0.868937     11.000
  H  -1.484900   2.133658   1.540689     12.000
  H  -0.240109   0.580199   2.940725     13.000
 17
 Energy -388.16688627    Point 91   Kin_en 243.548
  C  -0.356999  -1.037290   1.641714      3.000
  C  -0.827056  -1.684430   0.449716      2.000
  C  -0.874126  -1.142823  -0.797141      1.000
  C  -0.235518   0.190857  -1.089106      7.000
  C  -0.990616   1.261241  -0.339338      6.000
  C  -0.964526   1.308726   1.020080      5.000
  C  -0.416751   0.314104   1.898411      4.000
  C   1.244052   0.262139  -1.025172      8.000
  C   2.044792  -0.949161  -1.178091     10.000
  C   1.904110   1.549161  -0.813960      9.000
  H  -0.094936  -1.687686   2.479064     13.000
  H  -1.222871  -2.696165   0.571907     12.000
  H  -1.398223  -1.656897  -1.602911     11.000
  H  -0.339337   0.397845  -2.187046     17.000
  H  -1.576861   1.983270  -0.907521     16.000
  H  -1.449880   2.162878   1.499986     15.000
  H  -0.197111   0.633218   2.919479     14.000
 17
 Energy -388.16674203    Point 92   Kin_en 234.151
  C  -0.362663  -1.023758   1.664280      3.000
  C  -0.841591  -1.683692   0.483024      2.000
  C  -0.885734  -1.161946  -0.772229      1.000
  C  -0.246129   0.159566  -1.104529      7.000
  C  -0.978168   1.252121  -0.355091      6.000
  C  -0.928634   1.321202   1.003541      5.000
  C  -0.394366   0.332825   1.896612      4.000
  C   1.233912   0.254836  -1.040140      8.000
  C   2.052798  -0.949416  -0.993171     10.000
  C   1.876837   1.570133  -1.019867      9.000
  H  -0.113404  -1.663706   2.513639     13.000
  H  -1.241432  -2.691713   0.620685     12.000
  H  -1.413677  -1.691409  -1.565866     11.000
  H  -0.375982   0.356732  -2.198911     17.000
  H  -1.558970   1.976858  -0.925128     16.000
  H  -1.396687   2.190701   1.473443     15.000
  H  -0.165948   0.666789   2.910826     14.000
 17
 Energy -388.16677838    Point 93   Kin_en 223.91
  C  -0.368504  -1.016277   1.688357      3.000
  C  -0.852487  -1.682979   0.512945      2.000
  C  -0.899997  -1.178215  -0.749158      1.000
  C  -0.264656   0.130431  -1.132170      7.000
  C  -0.951694   1.246662  -0.362639      6.000
  C  -0.879424   1.331175   0.995238      5.000
  C  -0.373324   0.343347   1.903273      4.000
  C   1.217064   0.249599  -1.063704      8.000
  C   2.047554  -0.917378  -0.814132     10.000
  C   1.849418   1.563650  -1.222223      9.000
  H  -0.139205  -1.649848   2.548110     13.000
  H  -1.255998  -2.687748   0.662752     12.000
  H  -1.435555  -1.724480  -1.526669     11.000
  H  -0.442816   0.324239  -2.215058     17.000
  H  -1.505821   1.994584  -0.929494     16.000
  H  -1.315844   2.222801   1.454352     15.000
  H  -0.143352   0.686811   2.913811     14.000
 17
 Energy -388.16766587    Point 94   Kin_en 213.524
  C  -0.374724  -1.014833   1.711300      3.000
  C  -0.863918  -1.683168   0.538132      2.000
  C  -0.917358  -1.193237  -0.729415      1.000
  C  -0.289301   0.101600  -1.165812      7.000
  C  -0.906664   1.244953  -0.363656      6.000
  C  -0.818681   1.337881   0.993829      5.000
  C  -0.352667   0.345996   1.915902      4.000
  C   1.192703   0.247952  -1.089706      8.000
  C   2.026341  -0.856934  -0.650185     10.000
  C   1.821746   1.537225  -1.411878      9.000
  H  -0.165894  -1.646042   2.577976     13.000
  H  -1.272500  -2.684351   0.697931     12.000
  H  -1.463128  -1.755379  -1.488869     11.000
  H  -0.524237   0.297544  -2.231278     17.000
  H  -1.405320   2.034209  -0.926697     16.000
  H  -1.208720   2.256727   1.440985     15.000
  H  -0.121705   0.694370   2.924390     14.000
 17
 Energy -388.16984784    Point 95   Kin_en 203.739
  C  -0.386185  -1.019522   1.732832      3.000
  C  -0.878204  -1.685846   0.558254      2.000
  C  -0.935646  -1.208429  -0.713435      1.000
  C  -0.316050   0.072081  -1.198236      7.000
  C  -0.839514   1.245754  -0.360599      6.000
  C  -0.750336   1.339890   0.997693      5.000
  C  -0.335348   0.340772   1.932964      4.000
  C   1.161045   0.253798  -1.111471      8.000
  C   1.996135  -0.771687  -0.508323     10.000
  C   1.790537   1.499041  -1.588230      9.000
  H  -0.197834  -1.651915   2.603317     13.000
  H  -1.293288  -2.683258   0.724956     12.000
  H  -1.491310  -1.783505  -1.456400     11.000
  H  -0.605646   0.274241  -2.243597     17.000
  H  -1.255093   2.083369  -0.922087     16.000
  H  -1.083421   2.287074   1.431498     15.000
  H  -0.103420   0.689912   2.940823     14.000
 17
 Energy -388.17321576    Point 96   Kin_en 195.093
  C  -0.407080  -1.030047   1.753000      3.000
  C  -0.894174  -1.692946   0.573138      2.000
  C  -0.953035  -1.224511  -0.701392      1.000
  C  -0.342775   0.041745  -1.225729      7.000
  C  -0.748876   1.246648  -0.356002      6.000
  C  -0.674204   1.336647   1.005138      5.000
  C  -0.323713   0.328238   1.952860      4.000
  C   1.120983   0.271724  -1.124385      8.000
  C   1.965229  -0.667336  -0.393019     10.000
  C   1.750097   1.456866  -1.748809      9.000
  H  -0.243738  -1.665649   2.626225     13.000
  H  -1.314764  -2.687625   0.742545     12.000
  H  -1.517083  -1.808839  -1.431226     11.000
  H  -0.681133   0.254476  -2.250222     17.000
  H  -1.067245   2.125847  -0.917641     16.000
  H  -0.944078   2.309644   1.425482     15.000
  H  -0.095476   0.674056   2.962539     14.000
 17
 Energy -388.17720967    Point 97   Kin_en 187.859
  C  -0.436944  -1.044720   1.769612      3.000
  C  -0.908481  -1.705824   0.582754      2.000
  C  -0.970589  -1.240408  -0.693002      1.000
  C  -0.367995   0.009461  -1.247025      7.000
  C  -0.634817   1.245483  -0.352537      6.000
  C  -0.592629   1.327870   1.014567      5.000
  C  -0.317944   0.311195   1.972492      4.000
  C   1.071342   0.306494  -1.121073      8.000
  C   1.942051  -0.553159  -0.305577     10.000
  C   1.695328   1.415217  -1.891584      9.000
  H  -0.308591  -1.682575   2.647145     13.000
  H  -1.330865  -2.699861   0.751181     12.000
  H  -1.544634  -1.828576  -1.412483     11.000
  H  -0.746157   0.237856  -2.251281     17.000
  H  -0.869933   2.149720  -0.914223     16.000
  H  -0.802061   2.320606   1.423254     15.000
  H  -0.104950   0.650195   2.987606     14.000
 17
 Energy -388.18172581    Point 98   Kin_en 182.756
  C  -0.468904  -1.062549   1.778447      3.000
  C  -0.916768  -1.724109   0.588350      2.000
  C  -0.991827  -1.253025  -0.688541      1.000
  C  -0.398402  -0.030112  -1.269579      7.000
  C  -0.483268   1.241847  -0.352162      6.000
  C  -0.508150   1.312314   1.026983      5.000
  C  -0.311220   0.293206   1.988271      4.000
  C   0.999619   0.367506  -1.091176      8.000
  C   1.924920  -0.449417  -0.255639     10.000
  C   1.626484   1.383610  -2.002341      9.000
  H  -0.389336  -1.698570   2.663401     13.000
  H  -1.333292  -2.721028   0.752756     12.000
  H  -1.586124  -1.839962  -1.393563     11.000
  H  -0.812463   0.224342  -2.250531     17.000
  H  -0.693976   2.153090  -0.909743     16.000
  H  -0.679820   2.315908   1.427793     15.000
  H  -0.130779   0.622353   3.012718     14.000
 17
 Energy -388.18933655    Point 99   Kin_en 181.162
  C  -0.486551  -1.080509   1.774040      3.000
  C  -0.905706  -1.741858   0.594164      2.000
  C  -1.020013  -1.253257  -0.690522      1.000
  C  -0.441444  -0.085447  -1.301996      7.000
  C  -0.287515   1.250402  -0.344243      6.000
  C  -0.450486   1.298496   1.048550      5.000
  C  -0.307536   0.285764   1.997538      4.000
  C   0.915295   0.448981  -1.033981      8.000
  C   1.906890  -0.382373  -0.244285     10.000
  C   1.559956   1.347656  -2.083244      9.000
  H  -0.460094  -1.707960   2.668584     13.000
  H  -1.297256  -2.749779   0.750046     12.000
  H  -1.656149  -1.836230  -1.363628     11.000
  H  -0.888303   0.208561  -2.254184     17.000
  H  -0.579793   2.141909  -0.898182     16.000
  H  -0.668808   2.296704   1.441764     15.000
  H  -0.199277   0.600727   3.036895     14.000
 17
 Energy -388.19395079    Point 100   Kin_en 182.097
  C  -0.516888  -1.095202   1.777149      3.000
  C  -0.867316  -1.771583   0.595369      2.000
  C  -1.009789  -1.262194  -0.688605      1.000
  C  -0.450555  -0.110940  -1.296397      7.000
  C  -0.169092   1.304483  -0.313565      6.000
  C  -0.449370   1.308225   1.068551      5.000
  C  -0.383850   0.283319   2.004954      4.000
  C   0.904345   0.486038  -1.016205      8.000
  C   1.931780  -0.307628  -0.231383     10.000
  C   1.508322   1.257335  -2.190710      9.000
  H  -0.523997  -1.712512   2.678816     13.000
  H  -1.211077  -2.798958   0.735158     12.000
  H  -1.652614  -1.846035  -1.355792     11.000
  H  -0.908480   0.201734  -2.236621     17.000
  H  -0.500661   2.181821  -0.870998     16.000
  H  -0.738796   2.289210   1.459695     15.000
  H  -0.389043   0.591070   3.052779     14.000
 17
 Energy -388.19484095    Point 101   Kin_en 180.501
  C  -0.540718  -1.104825   1.780169      3.000
  C  -0.862381  -1.786374   0.594845      4.000
  C  -0.999056  -1.266227  -0.686205      5.000
  C  -0.447829  -0.109004  -1.281128      6.000
  C  -0.143946   1.320444  -0.306853      7.000
  C  -0.445653   1.306921   1.074597      1.000
  C  -0.416568   0.276110   2.005428      2.000
  C   0.911342   0.501524  -1.013161      8.000
  C   1.958858  -0.248517  -0.216209     10.000
  C   1.487656   1.204097  -2.244062      9.000
  H  -0.565297  -1.717878   2.684417     13.000
  H  -1.190297  -2.820090   0.724249     14.000
  H  -1.629517  -1.850778  -1.364598     15.000
  H  -0.903820   0.202331  -2.222637     16.000
  H  -0.485120   2.197709  -0.859201     17.000
  H  -0.742814   2.284701   1.468609     11.000
  H  -0.456834   0.582988   3.052857     12.000
 17
 Energy -388.19222706    Point 102   Kin_en 173.438
  C  -0.508005  -1.099948   1.763959      3.000
  C  -0.789978  -1.799292   0.582521      4.000
  C  -0.995034  -1.251156  -0.678467      5.000
  C  -0.496561  -0.059369  -1.237850      6.000
  C  -0.136569   1.342771  -0.322884      7.000
  C  -0.466563   1.325913   1.061576      1.000
  C  -0.452257   0.290368   1.983713      2.000
  C   0.912166   0.505345  -0.994269      8.000
  C   1.939387  -0.223300  -0.146475     10.000
  C   1.485831   1.056693  -2.299369      9.000
  H  -0.502437  -1.708620   2.671607     13.000
  H  -1.038300  -2.856133   0.698669     14.000
  H  -1.600781  -1.848975  -1.367349     15.000
  H  -0.940576   0.249731  -2.184611     16.000
  H  -0.464276   2.223353  -0.878738     17.000
  H  -0.778444   2.299063   1.454480     11.000
  H  -0.538302   0.593483   3.029697     12.000
 17
 Energy -388.18512105    Point 103   Kin_en 161.647
  C  -0.493450  -1.110819   1.748726      3.000
  C  -0.749561  -1.804960   0.575261      4.000
  C  -1.006084  -1.232773  -0.682881      5.000
  C  -0.642299   0.013680  -1.184120      6.000
  C  -0.132966   1.293940  -0.372969      7.000
  C  -0.467550   1.318622   1.049784      1.000
  C  -0.493123   0.299304   1.963617      2.000
  C   0.988223   0.553857  -0.960999      8.000
  C   1.964890  -0.178111  -0.081002     10.000
  C   1.509729   0.938839  -2.328758      9.000
  H  -0.438043  -1.717113   2.656363     13.000
  H  -0.892706  -2.883424   0.658544     14.000
  H  -1.530816  -1.872675  -1.399330     15.000
  H  -1.015079   0.280262  -2.171750     16.000
  H  -0.430841   2.194944  -0.915980     17.000
  H  -0.751580   2.307077   1.421737     11.000
  H  -0.630104   0.600492   3.005053     12.000
 17
 Energy -388.17931843    Point 104   Kin_en 146.97
  C  -0.469463  -1.123446   1.728292      3.000
  C  -0.739787  -1.803598   0.561126      4.000
  C  -1.060654  -1.217830  -0.692349      5.000
  C  -0.805424   0.049932  -1.157558      6.000
  C  -0.130117   1.239658  -0.415613      7.000
  C  -0.465245   1.307627   1.032712      1.000
  C  -0.510421   0.296704   1.941909      2.000
  C   1.095678   0.609291  -0.923829      8.000
  C   2.012493  -0.104881  -0.009205     10.000
  C   1.551395   0.840732  -2.326773      9.000
  H  -0.358817  -1.731087   2.629494     13.000
  H  -0.826248  -2.889549   0.622444     14.000
  H  -1.577637  -1.870266  -1.402113     15.000
  H  -1.147952   0.304914  -2.159937     16.000
  H  -0.388470   2.161739  -0.948729     17.000
  H  -0.726563   2.306849   1.389156     11.000
  H  -0.671207   0.595917   2.980807     12.000
 17
 Energy -388.17519955    Point 105   Kin_en 131.535
  C  -0.434982  -1.131146   1.699221      3.000
  C  -0.729754  -1.800091   0.533967      4.000
  C  -1.126638  -1.201024  -0.697529      5.000
  C  -0.924405   0.076987  -1.140831      6.000
  C  -0.128534   1.201456  -0.443276      7.000
  C  -0.469798   1.298562   1.012062      1.000
  C  -0.511854   0.288083   1.920119      2.000
  C   1.163042   0.634365  -0.892931      8.000
  C   2.073569   0.013231   0.070587     10.000
  C   1.578997   0.712732  -2.314488      9.000
  H  -0.280621  -1.743940   2.590228     13.000
  H  -0.784882  -2.889016   0.580030     14.000
  H  -1.682656  -1.847735  -1.382260     15.000
  H  -1.319552   0.352070  -2.119384     16.000
  H  -0.350172   2.136988  -0.974320     17.000
  H  -0.730178   2.300384   1.360122     11.000
  H  -0.682038   0.582050   2.959184     12.000
 17
 Energy -388.17138346    Point 106   Kin_en 117.417
  C  -0.406926  -1.138605   1.667908      3.000
  C  -0.722053  -1.795124   0.500863      4.000
  C  -1.186597  -1.183333  -0.704005      5.000
  C  -1.016291   0.102837  -1.128584      6.000
  C  -0.126419   1.163726  -0.460852      7.000
  C  -0.472873   1.287202   0.995282      1.000
  C  -0.509795   0.276151   1.903165      2.000
  C   1.208424   0.644421  -0.866394      8.000
  C   2.144277   0.156782   0.136465     10.000
  C   1.591145   0.577204  -2.291604      9.000
  H  -0.222801  -1.760182   2.547063     13.000
  H  -0.758165  -2.885511   0.533096     14.000
  H  -1.789426  -1.820088  -1.357754     15.000
  H  -1.491167   0.413670  -2.060087     16.000
  H  -0.306653   2.111774  -0.991615     17.000
  H  -0.736350   2.290472   1.335715     11.000
  H  -0.683290   0.563226   2.943568     12.000
 17
 Energy -388.16858946    Point 107   Kin_en 105.091
  C  -0.387342  -1.147719   1.635792      3.000
  C  -0.720379  -1.789763   0.465054      4.000
  C  -1.239574  -1.164660  -0.713046      5.000
  C  -1.086251   0.128382  -1.119139      6.000
  C  -0.121965   1.123687  -0.469302      7.000
  C  -0.474676   1.275205   0.984325      1.000
  C  -0.504848   0.261353   1.890017      2.000
  C   1.240095   0.644031  -0.842504      8.000
  C   2.216620   0.317827   0.181998     10.000
  C   1.592579   0.440965  -2.257480      9.000
  H  -0.180710  -1.780320   2.501969     13.000
  H  -0.746140  -2.880902   0.483964     14.000
  H  -1.886540  -1.788891  -1.336025     15.000
  H  -1.636741   0.482633  -1.991252     16.000
  H  -0.253815   2.084843  -0.999934     17.000
  H  -0.741052   2.279884   1.317087     11.000
  H  -0.678209   0.539389   2.932858     12.000
 17
 Energy -388.16707724    Point 108   Kin_en 94.7929
  C  -0.374297  -1.160000   1.603692      3.000
  C  -0.724998  -1.784856   0.428451      4.000
  C  -1.288631  -1.144105  -0.722933      5.000
  C  -1.136069   0.153177  -1.112277      6.000
  C  -0.115555   1.084311  -0.469981      7.000
  C  -0.471931   1.262288   0.980289      1.000
  C  -0.499220   0.243121   1.880527      2.000
  C   1.262153   0.638797  -0.821007      8.000
  C   2.280180   0.489736   0.204654     10.000
  C   1.589759   0.305382  -2.213057      9.000
  H  -0.146030  -1.805238   2.455002     13.000
  H  -0.743149  -2.876434   0.432043     14.000
  H  -1.973428  -1.753490  -1.319622     15.000
  H  -1.741460   0.551322  -1.926582     16.000
  H  -0.194210   2.059438  -0.997439     17.000
  H  -0.738540   2.268364   1.307321     11.000
  H  -0.671283   0.509996   2.926462     12.000
 17
 Energy -388.16668922    Point 109   Kin_en 86.3058
  C  -0.363899  -1.176032   1.571024      3.000
  C  -0.736558  -1.781258   0.392173      4.000
  C  -1.334924  -1.121929  -0.732947      5.000
  C  -1.168883   0.176679  -1.107825      6.000
  C  -0.109154   1.050957  -0.465195      7.000
  C  -0.464160   1.249288   0.983546      1.000
  C  -0.490518   0.221322   1.873698      2.000
  C   1.276761   0.632929  -0.801315      8.000
  C   2.328157   0.665809   0.204591     10.000
  C   1.587134   0.169527  -2.156481      9.000
  H  -0.112399  -1.834906   2.405150     13.000
  H  -0.749702  -2.872965   0.378148     14.000
  H  -2.049579  -1.714545  -1.311031     15.000
  H  -1.803831   0.613533  -1.878255     16.000
  H  -0.135918   2.039560  -0.984984     17.000
  H  -0.727465   2.256037   1.309838     11.000
  H  -0.659755   0.473913   2.923660     12.000
 17
 Energy -388.16681148    Point 110   Kin_en 79.253
  C  -0.352358  -1.196152   1.537610      3.000
  C  -0.754497  -1.780528   0.357522      4.000
  C  -1.374493  -1.099996  -0.743636      5.000
  C  -1.189551   0.199501  -1.102988      6.000
  C  -0.105128   1.032295  -0.459262      7.000
  C  -0.453589   1.236410   0.991698      1.000
  C  -0.474581   0.195643   1.867069      2.000
  C   1.285793   0.632220  -0.783904      8.000
  C   2.357000   0.835861   0.184928     10.000
  C   1.585752   0.032637  -2.084206      9.000
  H  -0.081481  -1.869082   2.354155     13.000
  H  -0.770478  -2.871992   0.326656     14.000
  H  -2.108949  -1.675102  -1.314157     15.000
  H  -1.834842   0.665628  -1.847277     16.000
  H  -0.095042   2.032042  -0.966707     17.000
  H  -0.714385   2.240969   1.325436     11.000
  H  -0.638147   0.431028   2.922008     12.000
 17
 Energy -388.16688627    Point 111   Kin_en 72.7657
  C  -0.344021  -1.225580   1.501968      4.000
  C  -0.781099  -1.784602   0.322060      3.000
  C  -1.411052  -1.077141  -0.756485      2.000
  C  -1.204495   0.223292  -1.097680      1.000
  C  -0.104829   1.029438  -0.455319      7.000
  C  -0.436456   1.219455   1.004806      6.000
  C  -0.447811   0.160889   1.859359      5.000
  C   1.291417   0.640547  -0.767661      8.000
  C   2.373931   1.016341   0.139894      9.000
  C   1.589610  -0.112416  -1.982545     10.000
  H  -0.061612  -1.914973   2.300490     14.000
  H  -0.812684  -2.875283   0.274486     13.000
  H  -2.159171  -1.632554  -1.328360     12.000
  H  -1.850205   0.711814  -1.827491     11.000
  H  -0.081169   2.041192  -0.939972     17.000
  H  -0.689432   2.219008   1.357987     16.000
  H  -0.599108   0.376512   2.920525     15.000
 17
 Energy -388.16674203    Point 112   Kin_en 67.9763
  C  -0.340205  -1.257024   1.472272      4.000
  C  -0.807826  -1.791916   0.293068      3.000
  C  -1.436322  -1.059151  -0.769147      2.000
  C  -1.214996   0.243019  -1.093484      1.000
  C  -0.109503   1.041891  -0.456615      7.000
  C  -0.416380   1.201239   1.017037      6.000
  C  -0.416396   0.125264   1.850933      5.000
  C   1.292434   0.655292  -0.754703      8.000
  C   2.380039   1.164701   0.082787      9.000
  C   1.595670  -0.229977  -1.871552     10.000
  H  -0.057060  -1.961222   2.257300     14.000
  H  -0.862270  -2.881192   0.233192     13.000
  H  -2.191984  -1.597674  -1.346986     12.000
  H  -1.860352   0.743571  -1.815895     11.000
  H  -0.097830   2.065156  -0.910707     17.000
  H  -0.651665   2.195311   1.396482     16.000
  H  -0.547952   0.324707   2.918091     15.000
 17
 Energy -388.16677838    Point 113   Kin_en 63.8581
  C  -0.341911  -1.293730   1.445360      4.000
  C  -0.835614  -1.802876   0.265608      3.000
  C  -1.455958  -1.043815  -0.782878      2.000
  C  -1.225784   0.260966  -1.090309      1.000
  C  -0.120153   1.066867  -0.464997      7.000
  C  -0.385302   1.177781   1.027506      6.000
  C  -0.376871   0.084406   1.840315      5.000
  C   1.289133   0.678576  -0.743425      8.000
  C   2.379131   1.303350   0.013736      9.000
  C   1.600002  -0.334022  -1.739337     10.000
  H  -0.067116  -2.012753   2.219656     14.000
  H  -0.919662  -2.889690   0.195334     13.000
  H  -2.217390  -1.566228  -1.367799     12.000
  H  -1.874814   0.767056  -1.806120     11.000
  H  -0.139783   2.102232  -0.876801     17.000
  H  -0.577711   2.167209   1.441971     16.000
  H  -0.474515   0.271229   2.913537     15.000
 17
 Energy -388.16766587    Point 114   Kin_en 60.4044
  C  -0.346879  -1.332698   1.420690      4.000
  C  -0.863336  -1.815483   0.239844      3.000
  C  -1.473653  -1.030897  -0.796614      2.000
  C  -1.238248   0.276051  -1.089928      1.000
  C  -0.136545   1.097597  -0.479345      7.000
  C  -0.339456   1.149491   1.033262      6.000
  C  -0.330675   0.040660   1.826708      5.000
  C   1.280493   0.706623  -0.729728      8.000
  C   2.371974   1.430110  -0.061184      9.000
  C   1.599268  -0.418560  -1.590686     10.000
  H  -0.082342  -2.065702   2.185203     14.000
  H  -0.976772  -2.898888   0.159054     13.000
  H  -2.240337  -1.538956  -1.387303     12.000
  H  -1.893548   0.782840  -1.800131     11.000
  H  -0.195331   2.142724  -0.844120     17.000
  H  -0.458072   2.134578   1.485075     16.000
  H  -0.380180   0.218256   2.904838     15.000
 17
 Energy -388.16984784    Point 115   Kin_en 57.7284
  C  -0.355477  -1.372662   1.397988      4.000
  C  -0.894806  -1.828507   0.217156      3.000
  C  -1.493031  -1.020010  -0.809569      2.000
  C  -1.252420   0.287866  -1.092383      1.000
  C  -0.156675   1.126625  -0.497012      7.000
  C  -0.274574   1.115996   1.032414      6.000
  C  -0.279232  -0.005290   1.809890      5.000
  C   1.266392   0.736158  -0.708613      8.000
  C   2.357306   1.548926  -0.139839      9.000
  C   1.597707  -0.479115  -1.433955     10.000
  H  -0.101213  -2.118900   2.152936     14.000
  H  -1.036692  -2.907694   0.125705     13.000
  H  -2.265243  -1.514555  -1.404574     12.000
  H  -1.913969   0.793904  -1.797898     11.000
  H  -0.253895   2.178600  -0.815466     17.000
  H  -0.293118   2.093784   1.515282     16.000
  H  -0.270138   0.165230   2.890228     15.000
 17
 Energy -388.17321576    Point 116   Kin_en 55.7778
  C  -0.367568  -1.412059   1.377380      4.000
  C  -0.933766  -1.840659   0.199437      3.000
  C  -1.515144  -1.011404  -0.821889      2.000
  C  -1.268463   0.296638  -1.096660      1.000
  C  -0.179758   1.150172  -0.516182      7.000
  C  -0.188184   1.077322   1.022569      6.000
  C  -0.219542  -0.053168   1.788981      5.000
  C   1.245882   0.765584  -0.675529      8.000
  C   2.331419   1.661485  -0.218124      9.000
  C   1.600321  -0.514933  -1.278961     10.000
  H  -0.126908  -2.170842   2.124017     14.000
  H  -1.107287  -2.914565   0.100396     13.000
  H  -2.292300  -1.493061  -1.421069     12.000
  H  -1.935618   0.802479  -1.797570     11.000
  H  -0.311168   2.207078  -0.790050     17.000
  H  -0.096952   2.041831   1.523754     16.000
  H  -0.145072   0.110433   2.867838     15.000
 17
 Energy -388.17720967    Point 117   Kin_en 54.5222
  C  -0.380792  -1.447918   1.359114      4.000
  C  -0.979370  -1.849283   0.186750      3.000
  C  -1.538784  -1.005310  -0.834428      2.000
  C  -1.288186   0.304253  -1.099507      1.000
  C  -0.205551   1.166370  -0.536575      7.000
  C  -0.079224   1.034060   1.001471      6.000
  C  -0.151571  -0.102355   1.763617      5.000
  C   1.218262   0.790903  -0.623561      8.000
  C   2.290006   1.767808  -0.292905      9.000
  C   1.611673  -0.529584  -1.137090     10.000
  H  -0.162730  -2.218044   2.100799     14.000
  H  -1.192435  -2.916166   0.087956     13.000
  H  -2.319153  -1.475558  -1.438395     12.000
  H  -1.963145   0.812364  -1.791874     11.000
  H  -0.363344   2.227308  -0.767249     17.000
  H   0.102916   1.981603   1.508821     16.000
  H  -0.013410   0.053183   2.837456     15.000
 17
 Energy -388.18172581    Point 118   Kin_en 53.1439
  C  -0.387144  -1.475836   1.344647      4.000
  C  -1.024573  -1.852033   0.178832      3.000
  C  -1.560159  -1.004811  -0.845832      2.000
  C  -1.313689   0.311949  -1.097630      1.000
  C  -0.241792   1.180100  -0.566006      7.000
  C   0.065299   0.985041   0.961863      6.000
  C  -0.078231  -0.151237   1.733806      5.000
  C   1.174746   0.809967  -0.537483      8.000
  C   2.234107   1.858401  -0.352578      9.000
  C   1.625343  -0.523434  -1.028069     10.000
  H  -0.205835  -2.253577   2.088041     14.000
  H  -1.287651  -2.909211   0.094208     13.000
  H  -2.339129  -1.468122  -1.456501     12.000
  H  -2.007336   0.820349  -1.772258     11.000
  H  -0.420736   2.244620  -0.748319     17.000
  H   0.277422   1.922056   1.474371     16.000
  H   0.102388  -0.000537   2.802445     15.000
 17
 Energy -388.18933655    Point 119   Kin_en 52.8151
  C  -0.387200  -1.489327   1.341037      4.000
  C  -1.052122  -1.848377   0.167300      3.000
  C  -1.563552  -1.014448  -0.856508      2.000
  C  -1.342438   0.327509  -1.085587      1.000
  C  -0.297510   1.197392  -0.612460      7.000
  C   0.253708   0.924484   0.919584      6.000
  C  -0.027144  -0.194996   1.717477      5.000
  C   1.123049   0.818412  -0.421221      8.000
  C   2.172314   1.924332  -0.409320      9.000
  C   1.628006  -0.501555  -0.969616     10.000
  H  -0.278790  -2.267398   2.098689     14.000
  H  -1.365145  -2.893920   0.108457     13.000
  H  -2.326542  -1.478955  -1.485471     12.000
  H  -2.077266   0.825659  -1.725487     11.000
  H  -0.491870   2.264964  -0.736158     17.000
  H   0.387752   1.871315   1.441699     16.000
  H   0.113779  -0.029432   2.790525     15.000
 17
 Energy -388.19395079    Point 120   Kin_en 59.1551
  C  -0.447345  -1.488665   1.353222      4.000
  C  -1.087458  -1.848685   0.157165      3.000
  C  -1.550948  -1.027330  -0.885644      2.000
  C  -1.347445   0.332899  -1.077290      1.000
  C  -0.320647   1.191136  -0.611828      7.000
  C   0.391191   0.877730   0.951394      6.000
  C  -0.006851  -0.226449   1.733165      5.000
  C   1.122801   0.824737  -0.381931      8.000
  C   2.099851   1.992788  -0.523983      9.000
  C   1.667723  -0.479924  -0.931837     10.000
  H  -0.439811  -2.253214   2.133020     14.000
  H  -1.430367  -2.885272   0.112164     13.000
  H  -2.283597  -1.491925  -1.549410     12.000
  H  -2.095062   0.835495  -1.699944     11.000
  H  -0.518375   2.261185  -0.697738     17.000
  H   0.491258   1.826743   1.480309     16.000
  H   0.074012  -0.058061   2.812145     15.000
 17
 Energy -388.19484095    Point 121   Kin_en 62.7825
  C  -0.473949  -1.490005   1.351579      2.000
  C  -1.113350  -1.849029   0.153495      3.000
  C  -1.557176  -1.029123  -0.897096      4.000
  C  -1.344761   0.332464  -1.073968      5.000
  C  -0.321482   1.181473  -0.595394      6.000
  C   0.424966   0.866371   0.962941      7.000
  C   0.004027  -0.242574   1.732786      1.000
  C   1.133465   0.828308  -0.371118      8.000
  C   2.063494   2.023735  -0.587599      9.000
  C   1.709449  -0.471123  -0.895245     10.000
  H  -0.495125  -2.248906   2.136770     12.000
  H  -1.471449  -2.880705   0.114614     13.000
  H  -2.280384  -1.488054  -1.574735     14.000
  H  -2.083144   0.844577  -1.700008     15.000
  H  -0.517797   2.252043  -0.676855     16.000
  H   0.518817   1.810782   1.501797     17.000
  H   0.081777  -0.081684   2.813376     11.000
 17
 Energy -388.19222706    Point 122   Kin_en 67.6125
  C  -0.509536  -1.461181   1.352512      2.000
  C  -1.086467  -1.839467   0.124332      3.000
  C  -1.494067  -1.034321  -0.948044      4.000
  C  -1.329941   0.341315  -1.063280      5.000
  C  -0.344413   1.183095  -0.513843      6.000
  C   0.440582   0.880718   0.977835      7.000
  C  -0.014890  -0.227138   1.746671      1.000
  C   1.138055   0.811772  -0.349065      8.000
  C   2.018629   2.006642  -0.714081      9.000
  C   1.696782  -0.515699  -0.829171     10.000
  H  -0.579852  -2.211768   2.143107     12.000
  H  -1.418818  -2.879363   0.074376     13.000
  H  -2.150734  -1.507899  -1.680561     14.000
  H  -2.045372   0.855789  -1.713163     15.000
  H  -0.526312   2.254940  -0.598181     16.000
  H   0.548961   1.822406   1.519378     17.000
  H   0.043273  -0.069361   2.828515     11.000
 17
 Energy -388.18512105    Point 123   Kin_en 68.103
  C  -0.548223  -1.431956   1.355544      2.000
  C  -1.073507  -1.836964   0.092743      3.000
  C  -1.450167  -1.042469  -0.980266      4.000
  C  -1.325566   0.355709  -1.055748      5.000
  C  -0.453562   1.208581  -0.385343      6.000
  C   0.422070   0.901415   0.916720      7.000
  C  -0.029103  -0.222994   1.734601      1.000
  C   1.223933   0.784534  -0.305539      8.000
  C   1.999438   1.980589  -0.814448      9.000
  C   1.737141  -0.556137  -0.756393     10.000
  H  -0.669638  -2.166706   2.155212     12.000
  H  -1.357256  -2.890294   0.026042     13.000
  H  -2.009554  -1.525962  -1.782657     14.000
  H  -1.976569   0.853648  -1.781261     15.000
  H  -0.583569   2.277767  -0.544656     16.000
  H   0.558958   1.831365   1.475159     17.000
  H   0.054989  -0.050440   2.811271     11.000
 17
 Energy -388.17931843    Point 124   Kin_en 67.7448
  C  -0.567706  -1.409713   1.345358      2.000
  C  -1.045266  -1.836686   0.059371      3.000
  C  -1.424631  -1.041871  -1.000022      4.000
  C  -1.361105   0.376286  -1.045585      5.000
  C  -0.595331   1.242926  -0.303085      6.000
  C   0.395619   0.918489   0.852221      7.000
  C  -0.044057  -0.210285   1.716589      1.000
  C   1.338308   0.751941  -0.262148      8.000
  C   1.997377   1.934711  -0.891572      9.000
  C   1.810581  -0.592739  -0.657019     10.000
  H  -0.714981  -2.135580   2.149174     12.000
  H  -1.271959  -2.901897  -0.027633     13.000
  H  -1.922469  -1.529728  -1.839473     14.000
  H  -2.006360   0.856187  -1.787238     15.000
  H  -0.704425   2.310571  -0.491064     16.000
  H   0.565769   1.839674   1.421134     17.000
  H   0.055889  -0.023525   2.788463     11.000
 17
 Energy -388.17519955    Point 125   Kin_en 71.2821
  C  -0.573399  -1.393422   1.327190      2.000
  C  -1.005441  -1.828786   0.026146      3.000
  C  -1.399190  -1.028452  -1.021051      4.000
  C  -1.409156   0.397328  -1.026998      5.000
  C  -0.700094   1.269119  -0.247295      6.000
  C   0.375616   0.929459   0.807174      7.000
  C  -0.060942  -0.191098   1.700297      1.000
  C   1.404919   0.722881  -0.236767      8.000
  C   1.971834   1.868697  -0.988895      9.000
  C   1.909433  -0.621445  -0.522220     10.000
  H  -0.733941  -2.117784   2.130036     12.000
  H  -1.187274  -2.900543  -0.081135     13.000
  H  -1.859297  -1.517229  -1.881467     14.000
  H  -2.087700   0.864057  -1.746714     15.000
  H  -0.856184   2.338194  -0.395927     16.000
  H   0.576171   1.846697   1.377090     17.000
  H   0.033113   0.006804   2.770147     11.000
 17
 Energy -388.17138346    Point 126   Kin_en 77.3251
  C  -0.573897  -1.382207   1.310852      2.000
  C  -0.971017  -1.816881  -0.000948      3.000
  C  -1.377647  -1.009671  -1.037953      4.000
  C  -1.454544   0.416841  -1.007202      5.000
  C  -0.781310   1.290546  -0.202900      6.000
  C   0.357994   0.932312   0.765024      7.000
  C  -0.072907  -0.174832   1.683806      1.000
  C   1.445600   0.697380  -0.223849      8.000
  C   1.927298   1.792339  -1.090595      9.000
  C   2.025260  -0.628956  -0.379287     10.000
  H  -0.740593  -2.107585   2.111471     12.000
  H  -1.122129  -2.891418  -0.126280     13.000
  H  -1.813249  -1.497416  -1.911820     14.000
  H  -2.174845   0.868248  -1.695422     15.000
  H  -1.007061   2.354800  -0.281793     16.000
  H   0.594834   1.846439   1.331825     17.000
  H   0.013987   0.035371   2.751574     11.000
 17
 Energy -388.16858946    Point 127   Kin_en 85.2293
  C  -0.569719  -1.374144   1.297108      2.000
  C  -0.944001  -1.803190  -0.021890      3.000
  C  -1.363038  -0.989484  -1.049535      4.000
  C  -1.495528   0.434211  -0.988062      5.000
  C  -0.843635   1.307315  -0.167637      6.000
  C   0.342163   0.926859   0.722251      7.000
  C  -0.080952  -0.161140   1.669682      1.000
  C   1.469450   0.673998  -0.221063      8.000
  C   1.869696   1.706328  -1.191495      9.000
  C   2.149721  -0.609224  -0.234704     10.000
  H  -0.738206  -2.101927   2.095117     12.000
  H  -1.071383  -2.878815  -0.163126     13.000
  H  -1.783475  -1.475859  -1.931735     14.000
  H  -2.255925   0.869094  -1.643048     15.000
  H  -1.134884   2.358167  -0.167420     16.000
  H   0.622767   1.837976   1.282524     17.000
  H   0.000991   0.063415   2.734543     11.000
 17
 Energy -388.16707724    Point 128   Kin_en 94.5129
  C  -0.564405  -1.367619   1.286769      2.000
  C  -0.922878  -1.790085  -0.037622      3.000
  C  -1.354640  -0.971455  -1.056470      4.000
  C  -1.533565   0.447819  -0.969440      5.000
  C  -0.888773   1.319395  -0.143363      6.000
  C   0.327714   0.916277   0.680445      7.000
  C  -0.084390  -0.150243   1.657517      1.000
  C   1.482443   0.653806  -0.223705      8.000
  C   1.806391   1.608773  -1.291127      9.000
  C   2.271754  -0.558522  -0.090184     10.000
  H  -0.733169  -2.097409   2.082843     12.000
  H  -1.026930  -2.866230  -0.193358     13.000
  H  -1.762481  -1.456884  -1.945239     14.000
  H  -2.327784   0.866885  -1.593887     15.000
  H  -1.226972   2.353208  -0.072893     16.000
  H   0.656356   1.823230   1.232443     17.000
  H  -0.004561   0.089521   2.718818     11.000
 17
 Energy -388.16668922    Point 129   Kin_en 104.691
  C  -0.556858  -1.361246   1.279551      2.000
  C  -0.904008  -1.778749  -0.049141      3.000
  C  -1.352329  -0.958194  -1.059370      4.000
  C  -1.568914   0.456176  -0.953084      5.000
  C  -0.919729   1.327209  -0.131897      6.000
  C   0.314176   0.905950   0.642945      7.000
  C  -0.084193  -0.140416   1.648249      1.000
  C   1.488216   0.637342  -0.227667      8.000
  C   1.742453   1.494238  -1.388976      9.000
  C   2.382385  -0.476433   0.052211     10.000
  H  -0.725164  -2.092631   2.074291     12.000
  H  -0.982320  -2.855185  -0.217320     13.000
  H  -1.749039  -1.443976  -1.953144     14.000
  H  -2.388304   0.861751  -1.553263     15.000
  H  -1.282790   2.347838  -0.013308     16.000
  H   0.688193   1.808108   1.185584     17.000
  H  -0.004536   0.113446   2.705863     11.000
 17
 Energy -388.16681148    Point 130   Kin_en 115.164
  C  -0.543762  -1.353244   1.273776      2.000
  C  -0.884300  -1.770299  -0.056891      3.000
  C  -1.356092  -0.952339  -1.058977      4.000
  C  -1.598063   0.457637  -0.942857      5.000
  C  -0.940676   1.330150  -0.131321      6.000
  C   0.302770   0.904477   0.614700      7.000
  C  -0.082692  -0.127663   1.641580      1.000
  C   1.490777   0.626648  -0.228840      8.000
  C   1.679701   1.356534  -1.482568      9.000
  C   2.473485  -0.368245   0.185965     10.000
  H  -0.709963  -2.085542   2.068239     12.000
  H  -0.939678  -2.847001  -0.231816     13.000
  H  -1.748090  -1.441646  -1.953080     14.000
  H  -2.431895   0.853747  -1.528935     15.000
  H  -1.313179   2.344702   0.008562     16.000
  H   0.706079   1.804119   1.148634     17.000
  H  -0.006618   0.137420   2.696320     11.000
 17
 Energy -388.16688627    Point 131   Kin_en 126.266
  C  -0.521945  -1.342300   1.268638      5.000
  C  -0.867625  -1.766381  -0.058561      4.000
  C  -1.367528  -0.957531  -1.054345      3.000
  C  -1.624387   0.450090  -0.939337      2.000
  C  -0.958315   1.329168  -0.143238      1.000
  C   0.291769   0.918079   0.591651      7.000
  C  -0.077625  -0.109334   1.633775      6.000
  C   1.492619   0.623050  -0.226405      8.000
  C   1.617814   1.174849  -1.572384     10.000
  C   2.557302  -0.218068   0.317363      9.000
  H  -0.679963  -2.073303   2.066209     15.000
  H  -0.906208  -2.844013  -0.231414     14.000
  H  -1.765264  -1.455211  -1.941458     13.000
  H  -2.465786   0.837818  -1.519788     12.000
  H  -1.334204   2.342975  -0.004969     11.000
  H   0.700274   1.818544   1.122104     17.000
  H  -0.003286   0.163197   2.686410     16.000
 17
 Energy -388.16674203    Point 132   Kin_en 135.062
  C  -0.495955  -1.329752   1.265235      5.000
  C  -0.857570  -1.767829  -0.052804      4.000
  C  -1.382174  -0.971946  -1.046111      3.000
  C  -1.642300   0.435874  -0.943013      2.000
  C  -0.972382   1.326222  -0.163065      1.000
  C   0.282611   0.945747   0.575950      7.000
  C  -0.069136  -0.087962   1.624251      6.000
  C   1.492907   0.625616  -0.221824      8.000
  C   1.569633   0.989484  -1.630623     10.000
  C   2.618168  -0.065102   0.410999      9.000
  H  -0.637384  -2.057405   2.069244     15.000
  H  -0.890079  -2.847247  -0.214479     14.000
  H  -1.793561  -1.481418  -1.920338     13.000
  H  -2.486305   0.815567  -1.524751     12.000
  H  -1.353141   2.340642  -0.041050     11.000
  H   0.672544   1.848631   1.110891     17.000
  H   0.012960   0.186360   2.675690     16.000
 17
 Energy -388.16677838    Point 133   Kin_en 142.519
  C  -0.463359  -1.314618   1.262138      5.000
  C  -0.855071  -1.773998  -0.038632      4.000
  C  -1.400031  -0.994910  -1.034036      3.000
  C  -1.656237   0.415055  -0.952299      2.000
  C  -0.987051   1.322320  -0.191371      1.000
  C   0.272746   0.990064   0.560578      7.000
  C  -0.050939  -0.062953   1.607743      6.000
  C   1.492049   0.634539  -0.214846      8.000
  C   1.524985   0.783023  -1.660772     10.000
  C   2.667704   0.101516   0.481899      9.000
  H  -0.573292  -2.036346   2.076551     15.000
  H  -0.890616  -2.856047  -0.179865     14.000
  H  -1.831882  -1.519663  -1.889201     13.000
  H  -2.501668   0.784151  -1.538677     12.000
  H  -1.378237   2.335971  -0.095260     11.000
  H   0.625796   1.894787   1.107185     17.000
  H   0.063098   0.206012   2.657706     16.000
 17
 Energy -388.16766587    Point 134   Kin_en 148.309
  C  -0.425502  -1.296843   1.258970      5.000
  C  -0.858254  -1.782661  -0.016934      4.000
  C  -1.420168  -1.022972  -1.017597      3.000
  C  -1.669395   0.390304  -0.964251      2.000
  C  -1.002883   1.319039  -0.227520      1.000
  C   0.260613   1.045388   0.540721      7.000
  C  -0.018924  -0.036078   1.581939      6.000
  C   1.487869   0.644608  -0.205444      8.000
  C   1.483215   0.567617  -1.655601     10.000
  C   2.705880   0.271690   0.528786      9.000
  H  -0.489387  -2.010018   2.085806     15.000
  H  -0.899607  -2.867446  -0.132209     14.000
  H  -1.873124  -1.564611  -1.851036     13.000
  H  -2.516510   0.745516  -1.556756     12.000
  H  -1.407325   2.330509  -0.164301     11.000
  H   0.569601   1.951919   1.098875     17.000
  H   0.157479   0.222360   2.626301     16.000
 17
 Energy -388.16984784    Point 135   Kin_en 152.383
  C  -0.384590  -1.277274   1.254735      5.000
  C  -0.867254  -1.792397   0.011003      4.000
  C  -1.445250  -1.053977  -0.995819      3.000
  C  -1.684338   0.363139  -0.977804      2.000
  C  -1.019701   1.315797  -0.271320      1.000
  C   0.245226   1.103862   0.512060      7.000
  C   0.029843  -0.009992   1.544580      6.000
  C   1.479097   0.650774  -0.191242      8.000
  C   1.450915   0.356431  -1.614388     10.000
  C   2.732888   0.443893   0.556686      9.000
  H  -0.392443  -1.978547   2.094047     15.000
  H  -0.915448  -2.879491  -0.074858     14.000
  H  -1.918775  -1.613115  -1.805930     13.000
  H  -2.533336   0.702444  -1.576962     12.000
  H  -1.436568   2.324263  -0.245091     11.000
  H   0.511009   2.013459   1.077310     17.000
  H   0.293551   0.237251   2.573610     16.000
 17
 Energy -388.17321576    Point 136   Kin_en 154.854
  C  -0.339374  -1.257673   1.246821      5.000
  C  -0.881853  -1.801838   0.043695      4.000
  C  -1.477575  -1.085751  -0.968317      3.000
  C  -1.700854   0.334893  -0.994507      2.000
  C  -1.036991   1.311743  -0.321921      1.000
  C   0.225806   1.160254   0.473785      7.000
  C   0.096147   0.013376   1.494075      6.000
  C   1.464418   0.649749  -0.167287      8.000
  C   1.434681   0.161042  -1.541973     10.000
  C   2.745477   0.614615   0.572919      9.000
  H  -0.286452  -1.944278   2.096536     15.000
  H  -0.941297  -2.890326  -0.009168     14.000
  H  -1.974325  -1.662907  -1.751466     13.000
  H  -2.550161   0.657854  -1.602252     12.000
  H  -1.464071   2.316579  -0.334374     11.000
  H   0.452417   2.073950   1.042231     17.000
  H   0.454681   0.253550   2.495852     16.000
 17
 Energy -388.17720967    Point 137   Kin_en 156.129
  C  -0.291149  -1.239430   1.234034      5.000
  C  -0.899281  -1.809302   0.079858      4.000
  C  -1.514579  -1.114856  -0.936500      3.000
  C  -1.716470   0.306686  -1.017078      2.000
  C  -1.055316   1.306253  -0.375390      1.000
  C   0.201923   1.211659   0.426255      7.000
  C   0.179847   0.032290   1.430075      6.000
  C   1.441598   0.635570  -0.127925      8.000
  C   1.438919  -0.009604  -1.449256     10.000
  C   2.739335   0.780943   0.584153      9.000
  H  -0.182299  -1.908750   2.092272     15.000
  H  -0.979916  -2.897429   0.065019     14.000
  H  -2.041019  -1.710683  -1.685666     13.000
  H  -2.562819   0.613102  -1.637310     12.000
  H  -1.492508   2.306110  -0.423047     11.000
  H   0.396389   2.129223   0.995428     17.000
  H   0.613156   0.275255   2.400449     16.000
 17
 Energy -388.18172581    Point 138   Kin_en 156.087
  C  -0.244433  -1.224795   1.214580      5.000
  C  -0.914188  -1.812969   0.115983      4.000
  C  -1.550930  -1.134881  -0.904663      3.000
  C  -1.727696   0.280447  -1.046704      2.000
  C  -1.073792   1.301812  -0.424427      1.000
  C   0.171012   1.266390   0.372117      7.000
  C   0.293836   0.040358   1.346024      6.000
  C   1.401168   0.598589  -0.058169      8.000
  C   1.457214  -0.137866  -1.352836     10.000
  C   2.713880   0.921077   0.596383      9.000
  H  -0.103346  -1.871542   2.085864     15.000
  H  -1.032528  -2.897188   0.145185     14.000
  H  -2.117329  -1.748371  -1.609519     13.000
  H  -2.565132   0.571259  -1.685841     12.000
  H  -1.529086   2.292756  -0.498431     11.000
  H   0.338992   2.182105   0.948061     17.000
  H   0.744576   0.302183   2.302026     16.000
 17
 Energy -388.18933655    Point 139   Kin_en 155.151
  C  -0.223304  -1.218766   1.205501      5.000
  C  -0.926606  -1.811978   0.156642      4.000
  C  -1.572077  -1.140300  -0.883029      3.000
  C  -1.722823   0.253276  -1.084037      2.000
  C  -1.088225   1.303048  -0.453578      1.000
  C   0.129236   1.334939   0.314012      7.000
  C   0.446569   0.013283   1.251029      6.000
  C   1.348201   0.538075   0.035950      8.000
  C   1.472499  -0.210113  -1.276603     10.000
  C   2.678413   1.030537   0.594678      9.000
  H  -0.125905  -1.817758   2.116776     15.000
  H  -1.120233  -2.882757   0.241055     14.000
  H  -2.181031  -1.768252  -1.538355     13.000
  H  -2.537279   0.532285  -1.756592     12.000
  H  -1.583712   2.275115  -0.538295     11.000
  H   0.277725   2.238017   0.909989     17.000
  H   0.818315   0.327896   2.225649     16.000
 17
 Energy -388.19395079    Point 140   Kin_en 154.85
  C  -0.222166  -1.223404   1.228458      5.000
  C  -0.979483  -1.800395   0.215971      4.000
  C  -1.591684  -1.155332  -0.869856      3.000
  C  -1.702013   0.220045  -1.140150      2.000
  C  -1.092349   1.285556  -0.491024      1.000
  C   0.097161   1.345395   0.276455      7.000
  C   0.548299  -0.042240   1.235384      6.000
  C   1.343993   0.525063   0.068826      8.000
  C   1.526984  -0.258790  -1.217083     10.000
  C   2.629397   1.198971   0.551250      9.000
  H  -0.188586  -1.780310   2.170701     15.000
  H  -1.263925  -2.844035   0.366247     14.000
  H  -2.218666  -1.797500  -1.493265     13.000
  H  -2.478827   0.489086  -1.859447     12.000
  H  -1.602936   2.249201  -0.590628     11.000
  H   0.230530   2.245395   0.879523     17.000
  H   0.876729   0.308596   2.214894     16.000
