 17
 Energy -388.19503658    Point 1
  C   1.322876  -1.357689   0.238038
  C   2.017577  -0.193728  -0.130348
  C   1.615494   1.148746  -0.037856
  C   0.372274   1.651312   0.325470
  C  -0.919610   1.080702   0.261104
  C  -1.124165  -0.655358   0.443609
  C   0.005672  -1.477164   0.663013
  C  -1.453440   0.141985  -0.797893
  H   1.938257  -2.253276   0.347867
  H   3.076664  -0.342086  -0.354923
  H   2.420396   1.883397  -0.109970
  H   0.380482   2.670004   0.727877
  H  -1.689738   1.587020   0.845707
  H  -1.976248  -0.839932   1.100311
  H  -0.209412  -2.362088   1.271530
  C  -0.689493  -0.082085  -2.085641
  C  -2.959650   0.299265  -1.016449
 17
 Energy -388.19461522    Point 2   Kin_en 0.15625
  C   1.469680  -1.401986   0.441627
  C   2.150846  -0.242103   0.030587
  C   1.739214   1.097788   0.089512
  C   0.502111   1.586235   0.492844
  C  -0.777973   0.994289   0.464706
  C  -0.993959  -0.738137   0.602276
  C   0.149184  -1.540391   0.847504
  C  -1.310050   0.077964  -0.623906
  H   2.099974  -2.282446   0.585191
  H   3.208187  -0.389164  -0.203007
  H   2.531255   1.840207  -0.028437
  H   0.505530   2.609065   0.884904
  H  -1.548978   1.489428   1.056840
  H  -1.850792  -0.934590   1.249786
  H  -0.058354  -2.420033   1.465756
  C  -0.534170  -0.127034  -1.907815
  C  -2.805304   0.300725  -0.858189
 17
 Energy -388.19327250    Point 3   Kin_en 0.71793
  C   1.476587  -1.387710   0.469382
  C   2.144852  -0.229302   0.025030
  C   1.719125   1.105257   0.044301
  C   0.487967   1.575009   0.487557
  C  -0.774188   0.952613   0.505180
  C  -1.003509  -0.760678   0.592703
  C   0.153344  -1.550211   0.851268
  C  -1.307679   0.065317  -0.621932
  H   2.122045  -2.251580   0.643396
  H   3.202239  -0.372674  -0.210853
  H   2.492807   1.856940  -0.123562
  H   0.479362   2.604837   0.860890
  H  -1.547369   1.439182   1.100474
  H  -1.862302  -0.970164   1.233952
  H  -0.047495  -2.430848   1.469907
  C  -0.519859  -0.138224  -1.897633
  C  -2.783071   0.378369  -0.873617
 17
 Energy -388.19088450    Point 4   Kin_en 1.71137
  C   1.483011  -1.375077   0.492784
  C   2.140064  -0.214539   0.025824
  C   1.696204   1.111122   0.001905
  C   0.469801   1.563410   0.478647
  C  -0.769156   0.906857   0.554223
  C  -1.009472  -0.770147   0.587425
  C   0.158217  -1.560450   0.846931
  C  -1.306406   0.051719  -0.622243
  H   2.141173  -2.223966   0.690806
  H   3.198969  -0.351733  -0.207663
  H   2.447231   1.871605  -0.218388
  H   0.443656   2.604371   0.818733
  H  -1.545687   1.392213   1.144868
  H  -1.868649  -0.994687   1.223379
  H  -0.041354  -2.448281   1.455169
  C  -0.508533  -0.158117  -1.888707
  C  -2.754790   0.457860  -0.888896
 17
 Energy -388.18742055    Point 5   Kin_en 3.11363
  C   1.488376  -1.365720   0.512520
  C   2.136857  -0.199226   0.030793
  C   1.672251   1.113041  -0.034930
  C   0.446732   1.553166   0.465479
  C  -0.761805   0.864128   0.616591
  C  -1.011606  -0.764297   0.584822
  C   0.164073  -1.570732   0.835961
  C  -1.307663   0.034118  -0.627824
  H   2.156475  -2.202482   0.727528
  H   3.197011  -0.329085  -0.201751
  H   2.397204   1.880630  -0.309153
  H   0.399359   2.608223   0.755942
  H  -1.544443   1.358025   1.190464
  H  -1.871403  -1.007130   1.213664
  H  -0.041269  -2.471244   1.422596
  C  -0.499245  -0.182819  -1.883390
  C  -2.722110   0.532038  -0.903093
 17
 Energy -388.18312966    Point 6   Kin_en 4.90644
  C   1.493289  -1.360238   0.528190
  C   2.134811  -0.184112   0.040083
  C   1.646988   1.110900  -0.067097
  C   0.418002   1.545341   0.445762
  C  -0.752348   0.830552   0.688140
  C  -1.010424  -0.750350   0.585548
  C   0.170548  -1.582726   0.820312
  C  -1.310497   0.015867  -0.637745
  H   2.168935  -2.188728   0.750906
  H   3.196319  -0.305062  -0.191001
  H   2.346051   1.882987  -0.390145
  H   0.348654   2.613349   0.678002
  H  -1.542737   1.336556   1.239153
  H  -1.872499  -1.014503   1.203354
  H  -0.044457  -2.500612   1.374895
  C  -0.490801  -0.209923  -1.879303
  C  -2.685922   0.599471  -0.915696
 17
 Energy -388.17820772    Point 7   Kin_en 7.05516
  C   1.499138  -1.359210   0.538280
  C   2.133117  -0.170289   0.055354
  C   1.618786   1.105096  -0.095313
  C   0.381948   1.537923   0.414707
  C  -0.744385   0.804538   0.757594
  C  -1.006151  -0.737338   0.591795
  C   0.177468  -1.596751   0.802010
  C  -1.308742   0.007952  -0.644104
  H   2.180160  -2.184003   0.757589
  H   3.197823  -0.277466  -0.167275
  H   2.295018   1.879506  -0.458074
  H   0.287151   2.616122   0.579995
  H  -1.540427   1.320103   1.290683
  H  -1.872512  -1.025508   1.193341
  H  -0.047094  -2.534885   1.316629
  C  -0.482459  -0.236195  -1.873172
  C  -2.646664   0.661587  -0.926168
 17
 Energy -388.17228953    Point 8   Kin_en 9.46272
  C   1.506067  -1.362773   0.542079
  C   2.131799  -0.158602   0.074754
  C   1.589354   1.095782  -0.116563
  C   0.337655   1.526283   0.370174
  C  -0.740841   0.782991   0.819714
  C  -0.999030  -0.726667   0.603586
  C   0.185224  -1.610910   0.784077
  C  -1.296797   0.018094  -0.642284
  H   2.190856  -2.187594   0.748288
  H   3.200866  -0.247535  -0.133830
  H   2.246073   1.872621  -0.508215
  H   0.208344   2.610154   0.452882
  H  -1.540057   1.307228   1.339340
  H  -1.872285  -1.042212   1.181411
  H  -0.048196  -2.569152   1.255070
  C  -0.474280  -0.258925  -1.865617
  C  -2.607477   0.716267  -0.933993
 17
 Energy -388.16480396    Point 9   Kin_en 12.0345
  C   1.513016  -1.369167   0.541187
  C   2.130899  -0.148966   0.093126
  C   1.562583   1.084564  -0.128388
  C   0.286798   1.506179   0.315506
  C  -0.742325   0.764611   0.874126
  C  -0.989605  -0.716994   0.619433
  C   0.193834  -1.623656   0.769334
  C  -1.272900   0.048064  -0.633563
  H   2.200931  -2.195518   0.729224
  H   3.203929  -0.218554  -0.100850
  H   2.202646   1.867435  -0.535022
  H   0.114956   2.587002   0.304780
  H  -1.544493   1.298879   1.379082
  H  -1.873268  -1.060701   1.163684
  H  -0.048310  -2.598829   1.198467
  C  -0.467259  -0.278620  -1.858934
  C  -2.572517   0.760884  -0.939473
 17
 Energy -388.15569450    Point 10   Kin_en 14.7389
  C   1.518872  -1.376539   0.537993
  C   2.130058  -0.140540   0.106865
  C   1.540962   1.073719  -0.132222
  C   0.231927   1.477179   0.255906
  C  -0.748054   0.748512   0.920342
  C  -0.977948  -0.708297   0.638438
  C   0.202985  -1.635385   0.758933
  C  -1.238602   0.095885  -0.621152
  H   2.210253  -2.203866   0.707299
  H   3.206240  -0.192321  -0.073013
  H   2.167098   1.869352  -0.535700
  H   0.017867   2.545956   0.160425
  H  -1.554310   1.291889   1.409504
  H  -1.875391  -1.079008   1.139776
  H  -0.048515  -2.623160   1.151167
  C  -0.462450  -0.297897  -1.853948
  C  -2.544043   0.796214  -0.943691
 17
 Energy -388.14578919    Point 11   Kin_en 17.569
  C   1.523047  -1.383645   0.534262
  C   2.129056  -0.132761   0.115333
  C   1.525332   1.064467  -0.131248
  C   0.174986   1.443008   0.195549
  C  -0.757272   0.732053   0.956470
  C  -0.962987  -0.702939   0.663798
  C   0.212162  -1.647356   0.752386
  C  -1.197066   0.159893  -0.610303
  H   2.218312  -2.210929   0.686067
  H   3.207888  -0.169495  -0.049465
  H   2.140828   1.879737  -0.511551
  H  -0.069322   2.498778   0.047934
  H  -1.569315   1.279407   1.432451
  H  -1.875864  -1.096392   1.116203
  H  -0.048683  -2.644490   1.111945
  C  -0.460837  -0.318839  -1.850180
  C  -2.522686   0.825035  -0.948033
 17
 Energy -388.13718980    Point 12   Kin_en 20.4846
  C   1.525596  -1.389255   0.530694
  C   2.127908  -0.126218   0.119831
  C   1.515265   1.057476  -0.127521
  C   0.119361   1.410329   0.137881
  C  -0.769105   0.711188   0.980557
  C  -0.943447  -0.705135   0.702032
  C   0.219839  -1.659324   0.748085
  C  -1.152675   0.238182  -0.609757
  H   2.224161  -2.216379   0.666853
  H   3.208911  -0.151588  -0.029595
  H   2.124131   1.894108  -0.470767
  H  -0.135084   2.462120  -0.014666
  H  -1.587630   1.255658   1.450023
  H  -1.872814  -1.115260   1.101930
  H  -0.048983  -2.664681   1.075525
  C  -0.463575  -0.341530  -1.846065
  C  -2.507776   0.849306  -0.953144
 17
 Energy -388.13352841    Point 13   Kin_en 23.457
  C   1.527855  -1.392317   0.527376      2.000
  C   2.126196  -0.122211   0.122409      1.000
  C   1.507157   1.053115  -0.122309      7.000
  C   0.071027   1.385313   0.086256      6.000
  C  -0.782123   0.684868   0.994065      5.000
  C  -0.919790  -0.717543   0.755234      4.000
  C   0.224153  -1.670374   0.745420      3.000
  C  -1.110222   0.323431  -0.626930      8.000
  H   2.228689  -2.219807   0.649695     10.000
  H   3.208757  -0.139381  -0.014116      9.000
  H   2.114558   1.906245  -0.426171     15.000
  H  -0.176739   2.442042  -0.033365     14.000
  H  -1.605694   1.222270   1.463668     13.000
  H  -1.864053  -1.139136   1.105911     12.000
  H  -0.048353  -2.685116   1.037222     11.000
  C  -0.471183  -0.363498  -1.840297     16.000
  C  -2.497015   0.870689  -0.958928     17.000
 17
 Energy -388.13718980    Point 14   Kin_en 26.5105
  C   1.531215  -1.393095   0.522449      2.000
  C   2.123357  -0.120635   0.126136      1.000
  C   1.497184   1.051879  -0.115355      7.000
  C   0.034333   1.370129   0.041542      6.000
  C  -0.794895   0.655646   0.998535      5.000
  C  -0.893421  -0.739918   0.822561      4.000
  C   0.225235  -1.681155   0.743996      3.000
  C  -1.073996   0.405707  -0.662667      8.000
  H   2.233775  -2.221779   0.628421     10.000
  H   3.207355  -0.129595   0.001494      9.000
  H   2.108576   1.914954  -0.382797     15.000
  H  -0.200570   2.434029  -0.027597     14.000
  H  -1.619939   1.185898   1.472839     13.000
  H  -1.845930  -1.169994   1.141996     12.000
  H  -0.043640  -2.707693   0.993827     11.000
  C  -0.483914  -0.383226  -1.832611     16.000
  C  -2.487570   0.892968  -0.966097     17.000
 17
 Energy -388.14578919    Point 15   Kin_en 29.5212
  C   1.535608  -1.393010   0.515012      2.000
  C   2.118485  -0.120104   0.131054      1.000
  C   1.484566   1.053289  -0.107348      7.000
  C   0.011155   1.364526   0.006398      6.000
  C  -0.807249   0.624555   0.991200      5.000
  C  -0.866584  -0.768867   0.899450      4.000
  C   0.226104  -1.694029   0.745719      3.000
  C  -1.047927   0.477442  -0.710562      8.000
  H   2.241304  -2.221795   0.601583     10.000
  H   3.203946  -0.119095   0.018748      9.000
  H   2.102707   1.922011  -0.341497     15.000
  H  -0.212705   2.433428  -0.006031     14.000
  H  -1.628502   1.151667   1.474176     13.000
  H  -1.814058  -1.205935   1.227156     12.000
  H  -0.031587  -2.732272   0.954954     11.000
  C  -0.499347  -0.397938  -1.824690     16.000
  C  -2.479089   0.918973  -0.976218     17.000
 17
 Energy -388.15569450    Point 16   Kin_en 32.4627
  C   1.540045  -1.393962   0.503439      2.000
  C   2.111505  -0.118768   0.136795      1.000
  C   1.471288   1.057132  -0.097206      7.000
  C  -0.000927   1.365748  -0.020038      6.000
  C  -0.821217   0.591372   0.970961      5.000
  C  -0.839339  -0.798735   0.979219      4.000
  C   0.229861  -1.710883   0.751641      3.000
  C  -1.032435   0.534965  -0.759637      8.000
  H   2.251382  -2.220355   0.568857     10.000
  H   3.198394  -0.106330   0.038523      9.000
  H   2.096287   1.930352  -0.296363     15.000
  H  -0.219768   2.435478   0.024177     14.000
  H  -1.632922   1.122252   1.464813     13.000
  H  -1.764105  -1.239359   1.363770     12.000
  H  -0.011905  -2.757965   0.933412     11.000
  C  -0.515957  -0.408052  -1.818518     16.000
  C  -2.471825   0.951387  -0.990761     17.000
 17
 Energy -388.16480396    Point 17   Kin_en 35.4773
  C   1.543814  -1.396854   0.486857      2.000
  C   2.103099  -0.116353   0.141969      1.000
  C   1.458917   1.063150  -0.083551      7.000
  C  -0.007192   1.369420  -0.041638      6.000
  C  -0.839680   0.555710   0.941220      5.000
  C  -0.809925  -0.825310   1.055111      4.000
  C   0.237764  -1.730659   0.763359      3.000
  C  -1.024041   0.578390  -0.800494      8.000
  H   2.262769  -2.218481   0.530390     10.000
  H   3.191248  -0.092553   0.059464      9.000
  H   2.089303   1.941304  -0.242323     15.000
  H  -0.226693   2.435951   0.056015     14.000
  H  -1.638845   1.095205   1.445382     13.000
  H  -1.695927  -1.262201   1.526226     12.000
  H   0.013903  -2.782877   0.938410     11.000
  C  -0.533577  -0.415306  -1.815052     16.000
  C  -2.464765   0.992026  -1.010057     17.000
 17
 Energy -388.17228953    Point 18   Kin_en 38.6283
  C   1.547497  -1.401379   0.465508      2.000
  C   2.094139  -0.113701   0.144529      1.000
  C   1.447104   1.070394  -0.065294      7.000
  C  -0.010628   1.373566  -0.060207      6.000
  C  -0.864473   0.517774   0.904681      5.000
  C  -0.777975  -0.847246   1.121387      4.000
  C   0.250700  -1.750658   0.782762      3.000
  C  -1.020610   0.607231  -0.827142      8.000
  H   2.274555  -2.217041   0.485656     10.000
  H   3.183241  -0.079292   0.077729      9.000
  H   2.080442   1.954070  -0.177300     15.000
  H  -0.236043   2.434088   0.082992     14.000
  H  -1.651507   1.066457   1.417620     13.000
  H  -1.616667  -1.272171   1.682077     12.000
  H   0.045928  -2.804761   0.970072     11.000
  C  -0.553256  -0.421639  -1.813460     16.000
  C  -2.455154   1.042812  -1.033962     17.000
 17
 Energy -388.17820772    Point 19   Kin_en 41.7824
  C   1.552540  -1.405856   0.442083      2.000
  C   2.086114  -0.112030   0.142095      1.000
  C   1.435628   1.077717  -0.042734      7.000
  C  -0.010810   1.378598  -0.074707      6.000
  C  -0.896698   0.477867   0.861925      5.000
  C  -0.746933  -0.865581   1.173002      4.000
  C   0.268652  -1.767468   0.809117      3.000
  C  -1.021603   0.621125  -0.835626      8.000
  H   2.286741  -2.215542   0.439575     10.000
  H   3.175664  -0.068276   0.086075      9.000
  H   2.070182   1.965913  -0.104420     15.000
  H  -0.246135   2.431142   0.104890     14.000
  H  -1.672770   1.034116   1.383436     13.000
  H  -1.540079  -1.273931   1.807816     12.000
  H   0.085347  -2.820802   1.022387     11.000
  C  -0.575748  -0.428351  -1.811728     16.000
  C  -2.440435   1.103547  -1.061497     17.000
 17
 Energy -388.18312966    Point 20   Kin_en 44.8222
  C   1.559908  -1.407951   0.421046      2.000
  C   2.080582  -0.112140   0.133220      1.000
  C   1.425034   1.084415  -0.018413      7.000
  C  -0.005931   1.385547  -0.084101      6.000
  C  -0.936938   0.435068   0.813784      5.000
  C  -0.722105  -0.883077   1.208406      4.000
  C   0.289206  -1.778922   0.838430      3.000
  C  -1.026366   0.623033  -0.826303      8.000
  H   2.300009  -2.212160   0.402879     10.000
  H   3.169995  -0.060747   0.078153      9.000
  H   2.060440   1.974575  -0.031816     15.000
  H  -0.252153   2.429939   0.123875     14.000
  H  -1.698927   0.999458   1.347832     13.000
  H  -1.476476  -1.274031   1.899397     12.000
  H   0.131650  -2.828962   1.086941     11.000
  C  -0.599803  -0.434902  -1.807714     16.000
  C  -2.419227   1.170558  -1.090493     17.000
 17
 Energy -388.18742055    Point 21   Kin_en 47.946
  C   1.569318  -1.407151   0.404924      2.000
  C   2.077539  -0.113731   0.118440      1.000
  C   1.415808   1.090149   0.003516      7.000
  C   0.003289   1.393453  -0.088272      6.000
  C  -0.984132   0.388743   0.766558      5.000
  C  -0.705716  -0.901127   1.232275      4.000
  C   0.310498  -1.784873   0.868519      3.000
  C  -1.034204   0.618354  -0.808312      8.000
  H   2.314489  -2.206503   0.379954     10.000
  H   3.166176  -0.056294   0.052658      9.000
  H   2.052532   1.979571   0.030715     15.000
  H  -0.254300   2.429943   0.141935     14.000
  H  -1.727816   0.963459   1.316487     13.000
  H  -1.424081  -1.275107   1.969735     12.000
  H   0.183898  -2.828540   1.159515     11.000
  C  -0.623489  -0.440414  -1.801978     16.000
  C  -2.390965   1.240034  -1.119879     17.000
 17
 Energy -388.19088450    Point 22   Kin_en 51.5841
  C   1.580263  -1.405075   0.393830      2.000
  C   2.076072  -0.115393   0.098002      1.000
  C   1.407475   1.093602   0.019432      7.000
  C   0.010124   1.396302  -0.086404      6.000
  C  -1.034066   0.341805   0.731458      5.000
  C  -0.696415  -0.918107   1.251460      4.000
  C   0.334366  -1.784938   0.902164      3.000
  C  -1.043583   0.612538  -0.795167      8.000
  H   2.329326  -2.200456   0.363975     10.000
  H   3.163057  -0.052959   0.011016      9.000
  H   2.044143   1.982239   0.074231     15.000
  H  -0.258330   2.426032   0.159830     14.000
  H  -1.764193   0.924031   1.293026     13.000
  H  -1.380463  -1.277272   2.028003     12.000
  H   0.241467  -2.818454   1.239980     11.000
  C  -0.646770  -0.446301  -1.798145     16.000
  C  -2.354904   1.310968  -1.150840     17.000
 17
 Energy -388.19327250    Point 23   Kin_en 55.679
  C   1.592626  -1.402311   0.388149      2.000
  C   2.075471  -0.116712   0.071871      1.000
  C   1.398622   1.092892   0.027739      7.000
  C   0.009488   1.389633  -0.076078      6.000
  C  -1.081222   0.299310   0.709520      5.000
  C  -0.692010  -0.932429   1.268138      4.000
  C   0.361491  -1.778526   0.940805      3.000
  C  -1.053186   0.607282  -0.789366      8.000
  H   2.344040  -2.195051   0.353423     10.000
  H   3.159460  -0.049515  -0.044845      9.000
  H   2.032200   1.983195   0.094919     15.000
  H  -0.267732   2.413984   0.181730     14.000
  H  -1.808894   0.881192   1.275947     13.000
  H  -1.349751  -1.282245   2.071259     12.000
  H   0.300712  -2.798897   1.324133     11.000
  C  -0.669720  -0.452232  -1.799259     16.000
  C  -2.311939   1.381054  -1.182996     17.000
 17
 Energy -388.19461522    Point 24   Kin_en 59.7376
  C   1.605823  -1.398256   0.389745      2.000
  C   2.074787  -0.118993   0.040705      1.000
  C   1.388803   1.088013   0.027906      7.000
  C   0.002899   1.375636  -0.056166      6.000
  C  -1.122563   0.262733   0.693273      5.000
  C  -0.690589  -0.944383   1.281554      4.000
  C   0.388610  -1.767257   0.981735      3.000
  C  -1.063522   0.601714  -0.786403      8.000
  H   2.359780  -2.188559   0.356059     10.000
  H   3.153868  -0.047663  -0.112875      9.000
  H   2.017775   1.981990   0.093290     15.000
  H  -0.280267   2.395214   0.212724     14.000
  H  -1.855382   0.838103   1.260864     13.000
  H  -1.331704  -1.289262   2.100048     12.000
  H   0.356884  -2.772074   1.408070     11.000
  C  -0.689206  -0.453420  -1.805724     16.000
  C  -2.266337   1.445107  -1.213276     17.000
 17
 Energy -388.19503658    Point 25   Kin_en 63.2602
  C   1.616909  -1.394608   0.398959      2.000
  C   2.068639  -0.125925   0.000406      3.000
  C   1.376093   1.078343   0.017532      4.000
  C  -0.008904   1.358612  -0.026461      5.000
  C  -1.157251   0.229943   0.678139      6.000
  C  -0.690914  -0.953803   1.295640      7.000
  C   0.413972  -1.752790   1.029651      1.000
  C  -1.072705   0.597497  -0.785849      8.000
  H   2.374817  -2.181404   0.373755     10.000
  H   3.139826  -0.053173  -0.199705     11.000
  H   2.002161   1.975726   0.067268     12.000
  H  -0.295355   2.372540   0.258341     13.000
  H  -1.901197   0.794831   1.242778     14.000
  H  -1.322698  -1.292572   2.123728     15.000
  H   0.409796  -2.737799   1.501428      9.000
  C  -0.688861  -0.437708  -1.821769     16.000
  C  -2.227129   1.494659  -1.237047     17.000
 17
 Energy -388.19461522    Point 26   Kin_en 66.0781
  C   1.613070  -1.390086   0.389044      2.000
  C   2.053935  -0.131309  -0.046086      3.000
  C   1.363328   1.073488   0.010547      4.000
  C  -0.020881   1.345095   0.009442      5.000
  C  -1.181101   0.214263   0.674261      6.000
  C  -0.691415  -0.952102   1.314827      7.000
  C   0.427342  -1.734624   1.062552      1.000
  C  -1.074731   0.588585  -0.781082      8.000
  H   2.368446  -2.179084   0.356621     10.000
  H   3.115061  -0.063146  -0.294667     11.000
  H   1.988238   1.972492   0.044955     12.000
  H  -0.312176   2.355030   0.301695     13.000
  H  -1.935200   0.772698   1.232393     14.000
  H  -1.312784  -1.284230   2.153081     15.000
  H   0.446077  -2.703651   1.566264      9.000
  C  -0.672327  -0.441764  -1.814953     16.000
  C  -2.183200   1.523346  -1.268742     17.000
 17
 Energy -388.19327250    Point 27   Kin_en 69.8251
  C   1.612971  -1.380582   0.381985      2.000
  C   2.037577  -0.134086  -0.096156      3.000
  C   1.347014   1.068658   0.000902      4.000
  C  -0.035586   1.325759   0.056046      5.000
  C  -1.201205   0.204608   0.672458      6.000
  C  -0.693142  -0.953770   1.327104      7.000
  C   0.441918  -1.714799   1.091119      1.000
  C  -1.079995   0.577369  -0.775465      8.000
  H   2.368710  -2.169243   0.348253     10.000
  H   3.084442  -0.068839  -0.398823     11.000
  H   1.966339   1.972187   0.009247     12.000
  H  -0.330866   2.333364   0.350114     13.000
  H  -1.962981   0.756011   1.227671     14.000
  H  -1.308929  -1.285660   2.169259     15.000
  H   0.484127  -2.667522   1.623760      9.000
  C  -0.669976  -0.460853  -1.796974     16.000
  C  -2.120786   1.562575  -1.308617     17.000
 17
 Energy -388.19088450    Point 28   Kin_en 73.5923
  C   1.615311  -1.368573   0.379928      2.000
  C   2.018015  -0.136366  -0.143957      3.000
  C   1.327142   1.064234  -0.012933      4.000
  C  -0.050389   1.306142   0.112278      5.000
  C  -1.210270   0.204602   0.671277      6.000
  C  -0.695128  -0.958574   1.332390      7.000
  C   0.454774  -1.697312   1.115933      1.000
  C  -1.086999   0.565569  -0.771442      8.000
  H   2.374242  -2.154482   0.348464     10.000
  H   3.046376  -0.073500  -0.503717     11.000
  H   1.937658   1.973123  -0.046595     12.000
  H  -0.346715   2.315011   0.398299     13.000
  H  -1.979257   0.747181   1.225630     14.000
  H  -1.314145  -1.295263   2.169936     15.000
  H   0.516999  -2.635611   1.671565      9.000
  C  -0.675841  -0.485029  -1.777303     16.000
  C  -2.052308   1.599667  -1.348234     17.000
 17
 Energy -388.18742055    Point 29   Kin_en 76.8758
  C   1.619579  -1.355945   0.381021      2.000
  C   1.995642  -0.139509  -0.185621      3.000
  C   1.303750   1.061980  -0.031586      4.000
  C  -0.060007   1.292649   0.180850      5.000
  C  -1.207028   0.214688   0.668210      6.000
  C  -0.696924  -0.966606   1.331510      7.000
  C   0.464641  -1.683236   1.137523      1.000
  C  -1.098935   0.550825  -0.770871      8.000
  H   2.381943  -2.138686   0.349648     10.000
  H   3.001346  -0.079233  -0.603799     11.000
  H   1.902623   1.974452  -0.123811     12.000
  H  -0.354975   2.307248   0.444229     13.000
  H  -1.985373   0.745486   1.221468     14.000
  H  -1.329080  -1.312307   2.154977     15.000
  H   0.542438  -2.610224   1.709709      9.000
  C  -0.686799  -0.512078  -1.759520     16.000
  C  -1.983207   1.630730  -1.384245     17.000
 17
 Energy -388.18312966    Point 30   Kin_en 79.873
  C   1.624904  -1.343063   0.385735      2.000
  C   1.970155  -0.143620  -0.221433      3.000
  C   1.276643   1.062279  -0.057056      4.000
  C  -0.061364   1.288451   0.255950      5.000
  C  -1.196135   0.229821   0.665802      6.000
  C  -0.700060  -0.978549   1.326415      7.000
  C   0.471233  -1.673806   1.155620      1.000
  C  -1.112821   0.535602  -0.774037      8.000
  H   2.391657  -2.121467   0.354051     10.000
  H   2.952177  -0.086384  -0.692098     11.000
  H   1.861723   1.974492  -0.214959     12.000
  H  -0.354775   2.309956   0.490058     13.000
  H  -1.987384   0.746015   1.215441     14.000
  H  -1.352512  -1.338605   2.127021     15.000
  H   0.559433  -2.594544   1.736100      9.000
  C  -0.699827  -0.539652  -1.742340     16.000
  C  -1.914574   1.655806  -1.415894     17.000
 17
 Energy -388.17820772    Point 31   Kin_en 83.2371
  C   1.629955  -1.329865   0.396176      2.000
  C   1.940477  -0.147787  -0.251984      3.000
  C   1.242965   1.062762  -0.092999      4.000
  C  -0.059268   1.290287   0.327086      5.000
  C  -1.182871   0.244293   0.668854      6.000
  C  -0.705116  -0.993834   1.318876      7.000
  C   0.474686  -1.670944   1.169286      1.000
  C  -1.116314   0.527440  -0.776781      8.000
  H   2.405939  -2.099125   0.369015     10.000
  H   2.900930  -0.093865  -0.765033     11.000
  H   1.809064   1.971204  -0.323400     12.000
  H  -0.350303   2.317142   0.538138     13.000
  H  -1.990894   0.743113   1.210849     14.000
  H  -1.380780  -1.373592   2.089991     15.000
  H   0.567384  -2.591908   1.748427      9.000
  C  -0.711838  -0.564452  -1.723952     16.000
  C  -1.845371   1.676755  -1.443403     17.000
 17
 Energy -388.17228953    Point 32   Kin_en 87.1516
  C   1.634232  -1.317480   0.410901      2.000
  C   1.908451  -0.151456  -0.274314      3.000
  C   1.198954   1.059963  -0.139879      4.000
  C  -0.058586   1.295478   0.390071      5.000
  C  -1.168250   0.257088   0.677879      6.000
  C  -0.710312  -1.010318   1.311042      7.000
  C   0.475045  -1.675127   1.177930      1.000
  C  -1.099928   0.530292  -0.776844      8.000
  H   2.423509  -2.073125   0.391775     10.000
  H   2.851244  -0.098712  -0.818841     11.000
  H   1.734582   1.960773  -0.456081     12.000
  H  -0.345259   2.326999   0.583375     13.000
  H  -1.998107   0.734745   1.206278     14.000
  H  -1.409460  -1.411790   2.048985     15.000
  H   0.567423  -2.602024   1.747242      9.000
  C  -0.721313  -0.584687  -1.705977     16.000
  C  -1.779447   1.693932  -1.465770     17.000
 17
 Energy -388.16480396    Point 33   Kin_en 91.4958
  C   1.637616  -1.307345   0.425037      2.000
  C   1.878437  -0.154356  -0.286488      3.000
  C   1.143566   1.051335  -0.193195      4.000
  C  -0.060864   1.303168   0.444772      5.000
  C  -1.152018   0.268831   0.691145      6.000
  C  -0.714035  -1.025831   1.305193      7.000
  C   0.473084  -1.683661   1.182454      1.000
  C  -1.061469   0.543514  -0.775798      8.000
  H   2.440699  -2.048150   0.413723     10.000
  H   2.809459  -0.096500  -0.850199     11.000
  H   1.635882   1.938918  -0.602640     12.000
  H  -0.342417   2.339600   0.619222     13.000
  H  -2.008298   0.723019   1.196813     14.000
  H  -1.434867  -1.446532   2.010291     15.000
  H   0.563082  -2.619378   1.737228      9.000
  C  -0.729730  -0.601376  -1.690395     16.000
  C  -1.722272   1.707263  -1.482710     17.000
 17
 Energy -388.15569450    Point 34   Kin_en 96.2402
  C   1.640108  -1.299666   0.435007      2.000
  C   1.853627  -0.156635  -0.290603      3.000
  C   1.078957   1.037130  -0.248090      4.000
  C  -0.066124   1.312104   0.490809      5.000
  C  -1.134222   0.279326   0.707946      6.000
  C  -0.716297  -1.039775   1.302863      7.000
  C   0.469571  -1.693320   1.184668      1.000
  C  -1.003779   0.564913  -0.776183      8.000
  H   2.455596  -2.026420   0.431236     10.000
  H   2.780929  -0.083529  -0.858618     11.000
  H   1.523505   1.908004  -0.739190     12.000
  H  -0.344283   2.352876   0.645757     13.000
  H  -2.020194   0.709334   1.181566     14.000
  H  -1.456413  -1.474634   1.978086     15.000
  H   0.557755  -2.638012   1.724041      9.000
  C  -0.739774  -0.616691  -1.676948     16.000
  C  -1.675758   1.717796  -1.495887     17.000
 17
 Energy -388.14578919    Point 35   Kin_en 101.479
  C   1.641836  -1.293960   0.440285      2.000
  C   1.835009  -0.159299  -0.290379      3.000
  C   1.009232   1.020305  -0.302590      4.000
  C  -0.075331   1.319500   0.526729      5.000
  C  -1.114834   0.287842   0.732385      6.000
  C  -0.717936  -1.052158   1.304765      7.000
  C   0.465217  -1.701551   1.186540      1.000
  C  -0.931075   0.592669  -0.782844      8.000
  H   2.467974  -2.007999   0.445835     10.000
  H   2.767331  -0.060707  -0.846424     11.000
  H   1.418067   1.878487  -0.843427     12.000
  H  -0.354277   2.362761   0.665880     13.000
  H  -2.030086   0.695705   1.166873     14.000
  H  -1.474906  -1.497130   1.953298     15.000
  H   0.552798  -2.654129   1.711670      9.000
  C  -0.753903  -0.632341  -1.664022     16.000
  C  -1.639305   1.726747  -1.508117     17.000
 17
 Energy -388.13718980    Point 36   Kin_en 107.194
  C   1.642615  -1.290000   0.442719      2.000
  C   1.822285  -0.162836  -0.288626      3.000
  C   0.941309   1.004536  -0.356555      4.000
  C  -0.090033   1.321695   0.551199      5.000
  C  -1.094233   0.293774   0.772339      6.000
  C  -0.719753  -1.061277   1.310329      7.000
  C   0.461182  -1.706264   1.189573      1.000
  C  -0.849185   0.624051  -0.804139      8.000
  H   2.476976  -1.993637   0.459310     10.000
  H   2.765183  -0.035448  -0.820797     11.000
  H   1.340447   1.861326  -0.905078     12.000
  H  -0.373566   2.365404   0.682002     13.000
  H  -2.036373   0.683728   1.162407     14.000
  H  -1.491469  -1.515388   1.933597     15.000
  H   0.548210  -2.665074   1.703164      9.000
  C  -0.773662  -0.648441  -1.649385     16.000
  C  -1.611748   1.733867  -1.521420     17.000
 17
 Energy -388.13352841    Point 37   Kin_en 113.178
  C   1.641533  -1.287645   0.444935      1.000
  C   1.812599  -0.165622  -0.287381      7.000
  C   0.883896   0.991573  -0.408764      6.000
  C  -0.109392   1.317959   0.565636      5.000
  C  -1.073815   0.296977   0.830655      4.000
  C  -0.722566  -1.064880   1.319080      3.000
  C   0.459279  -1.706902   1.194388      2.000
  C  -0.767281   0.653224  -0.845470      8.000
  H   2.481546  -1.983730   0.471688      9.000
  H   2.767429  -0.015963  -0.792357     15.000
  H   1.295882   1.856543  -0.932661     14.000
  H  -0.397920   2.360913   0.694457     13.000
  H  -2.038068   0.673610   1.178088     12.000
  H  -1.506367  -1.531782   1.916382     11.000
  H   0.545084  -2.670300   1.699730     10.000
  C  -0.798164  -0.663049  -1.632218     16.000
  C  -1.590439   1.738446  -1.536567     17.000
 17
 Energy -388.13718980    Point 38   Kin_en 119.33
  C   1.638430  -1.285445   0.449763      1.000
  C   1.803256  -0.165052  -0.286953      7.000
  C   0.841869   0.980449  -0.458406      6.000
  C  -0.130647   1.309850   0.570986      5.000
  C  -1.054468   0.298678   0.906186      4.000
  C  -0.726830  -1.063624   1.330776      3.000
  C   0.460064  -1.705253   1.199475      2.000
  C  -0.694890   0.674840  -0.904938      8.000
  H   2.483915  -1.974286   0.486088      9.000
  H   2.770111  -0.002858  -0.765605     15.000
  H   1.274954   1.857429  -0.943364     14.000
  H  -0.420602   2.351876   0.701130     13.000
  H  -2.031700   0.667306   1.227761     12.000
  H  -1.518911  -1.550854   1.899726     11.000
  H   0.543580  -2.673751   1.696037     10.000
  C  -0.826490  -0.674560  -1.612880     16.000
  C  -1.570762   1.741408  -1.555297     17.000
 17
 Energy -388.14578919    Point 39   Kin_en 125.548
  C   1.633531  -1.281723   0.456445      1.000
  C   1.793404  -0.160837  -0.287597      7.000
  C   0.816815   0.970979  -0.502105      6.000
  C  -0.153849   1.296600   0.565115      5.000
  C  -1.036512   0.300951   0.993079      4.000
  C  -0.731404  -1.060894   1.347778      3.000
  C   0.462513  -1.703141   1.203827      2.000
  C  -0.639063   0.688016  -0.974286      8.000
  H   2.485753  -1.961762   0.502325      9.000
  H   2.771613   0.007788  -0.741771     15.000
  H   1.269145   1.861742  -0.943420     14.000
  H  -0.438125   2.339185   0.698434     13.000
  H  -2.010562   0.669882   1.326611     12.000
  H  -1.525588  -1.572031   1.891969     11.000
  H   0.545289  -2.677508   1.689772     10.000
  C  -0.854677  -0.682333  -1.594097     16.000
  C  -1.550906   1.744310  -1.579705     17.000
 17
 Energy -388.15569450    Point 40   Kin_en 131.902
  C   1.627930  -1.275279   0.463444      1.000
  C   1.784769  -0.153384  -0.287641      7.000
  C   0.805111   0.962691  -0.539159      6.000
  C  -0.181426   1.278165   0.547962      5.000
  C  -1.017605   0.304852   1.082997      4.000
  C  -0.734966  -1.060449   1.371202      3.000
  C   0.464400  -1.702835   1.205406      2.000
  C  -0.600995   0.695023  -1.041589      8.000
  H   2.488195  -1.944540   0.519772      9.000
  H   2.774098   0.021778  -0.715831     15.000
  H   1.269623   1.868304  -0.936982     14.000
  H  -0.451193   2.323747   0.684240     13.000
  H  -1.966175   0.684967   1.474083     12.000
  H  -1.524296  -1.591512   1.902992     11.000
  H   0.549811  -2.683444   1.679027     10.000
  C  -0.881386  -0.687276  -1.578143     16.000
  C  -1.529551   1.749412  -1.611426     17.000
 17
 Energy -388.16480396    Point 41   Kin_en 138.631
  C   1.622078  -1.267155   0.468935      1.000
  C   1.778708  -0.143078  -0.285369      7.000
  C   0.799647   0.954448  -0.571568      6.000
  C  -0.215722   1.256721   0.523342      5.000
  C  -0.994854   0.309111   1.168371      4.000
  C  -0.735874  -1.062384   1.401520      3.000
  C   0.464229  -1.705723   1.202744      2.000
  C  -0.576474   0.698409  -1.097219      8.000
  H   2.490703  -1.924662   0.536880      9.000
  H   2.779193   0.042561  -0.683258     15.000
  H   1.269327   1.874997  -0.928212     14.000
  H  -0.465932   2.306687   0.660696     13.000
  H  -1.896535   0.708213   1.643251     12.000
  H  -1.514017  -1.604319   1.938848     11.000
  H   0.555173  -2.692697   1.662607     10.000
  C  -0.907359  -0.690187  -1.565867     16.000
  C  -1.504637   1.758112  -1.650608     17.000
 17
 Energy -388.17228953    Point 42   Kin_en 145.891
  C   1.615629  -1.259755   0.471164      1.000
  C   1.774570  -0.130115  -0.279444      7.000
  C   0.796904   0.946063  -0.600274      6.000
  C  -0.257641   1.234302   0.493935      5.000
  C  -0.968049   0.311703   1.243504      4.000
  C  -0.731801  -1.064864   1.439063      3.000
  C   0.462215  -1.712427   1.195516      2.000
  C  -0.562949   0.699893  -1.134803      8.000
  H   2.492067  -1.905802   0.550339      9.000
  H   2.785846   0.071052  -0.641930     15.000
  H   1.265315   1.880385  -0.922236     14.000
  H  -0.488456   2.288575   0.631101     13.000
  H  -1.810055   0.732388   1.802422     12.000
  H  -1.493408  -1.608890   1.997759     11.000
  H   0.559384  -2.706358   1.639344     10.000
  C  -0.934486  -0.690841  -1.556272     16.000
  C  -1.472441   1.770911  -1.697087     17.000
 17
 Energy -388.17820772    Point 43   Kin_en 153.535
  C   1.608358  -1.256290   0.468544      1.000
  C   1.771514  -0.115568  -0.269645      7.000
  C   0.797908   0.938049  -0.624209      6.000
  C  -0.307631   1.211952   0.460298      5.000
  C  -0.941426   0.311439   1.303762      4.000
  C  -0.721106  -1.065921   1.481420      3.000
  C   0.460337  -1.721972   1.185390      2.000
  C  -0.559202   0.701402  -1.150247      8.000
  H   2.490772  -1.893600   0.554301      9.000
  H   2.792595   0.103413  -0.593369     15.000
  H   1.260059   1.884128  -0.918884     14.000
  H  -0.520727   2.269893   0.598230     13.000
  H  -1.723825   0.752230   1.930161     12.000
  H  -1.460881  -1.606226   2.072523     11.000
  H   0.562611  -2.722660   1.612957     10.000
  C  -0.963906  -0.688371  -1.547372     16.000
  C  -1.430446   1.787140  -1.749362     17.000
 17
 Energy -388.18312966    Point 44   Kin_en 161.267
  C   1.600507  -1.259153   0.460497      1.000
  C   1.769243  -0.101568  -0.257839      7.000
  C   0.805089   0.930403  -0.642675      6.000
  C  -0.366445   1.189879   0.423422      5.000
  C  -0.921263   0.308709   1.348139      4.000
  C  -0.705172  -1.064123   1.523662      3.000
  C   0.461004  -1.731536   1.175661      2.000
  C  -0.562591   0.705022  -1.144906      8.000
  H   2.485843  -1.892940   0.544083      9.000
  H   2.798598   0.133108  -0.543600     15.000
  H   1.259666   1.885880  -0.916638     14.000
  H  -0.558009   2.251571   0.566543     13.000
  H  -1.650858   0.767113   2.024117     12.000
  H  -1.416971  -1.597689   2.154388     11.000
  H   0.567461  -2.736362   1.592582     10.000
  C  -0.994057  -0.682141  -1.537293     16.000
  C  -1.379066   1.804393  -1.803991     17.000
 17
 Energy -388.18742055    Point 45   Kin_en 169.05
  C   1.592140  -1.267980   0.447714      1.000
  C   1.767257  -0.090808  -0.248004      7.000
  C   0.817345   0.922463  -0.656142      6.000
  C  -0.432406   1.170075   0.388840      5.000
  C  -0.909200   0.306450   1.381307      4.000
  C  -0.685404  -1.058275   1.564219      3.000
  C   0.464740  -1.738941   1.169144      2.000
  C  -0.570695   0.710128  -1.129306      8.000
  H   2.476874  -1.904326   0.518893      9.000
  H   2.803021   0.154102  -0.501857     15.000
  H   1.263960   1.885368  -0.915003     14.000
  H  -0.596616   2.235908   0.539912     13.000
  H  -1.589070   0.780264   2.097571     12.000
  H  -1.362116  -1.582645   2.240270     11.000
  H   0.575037  -2.744505   1.583321     10.000
  C  -1.023509  -0.673592  -1.525953     16.000
  C  -1.320188   1.819232  -1.859039     17.000
 17
 Energy -388.19088450    Point 46   Kin_en 177.171
  C   1.583187  -1.281288   0.429901      1.000
  C   1.763642  -0.086159  -0.243868      7.000
  C   0.825816   0.913678  -0.663662      6.000
  C  -0.498171   1.157367   0.365351      5.000
  C  -0.901312   0.309167   1.409297      4.000
  C  -0.658964  -1.046613   1.606883      3.000
  C   0.470465  -1.744068   1.167672      2.000
  C  -0.581491   0.713339  -1.117844      8.000
  H   2.463775  -1.925586   0.479364      9.000
  H   2.803090   0.163639  -0.478760     15.000
  H   1.265426   1.881629  -0.914375     14.000
  H  -0.639977   2.226631   0.520260     13.000
  H  -1.533850   0.795940   2.159556     12.000
  H  -1.295033  -1.557845   2.331426     11.000
  H   0.582846  -2.749386   1.581585     10.000
  C  -1.054714  -0.666173  -1.514798     16.000
  C  -1.254693   1.828592  -1.915891     17.000
 17
 Energy -388.19327250    Point 47   Kin_en 185.46
  C   1.573284  -1.298314   0.406850      1.000
  C   1.755819  -0.088562  -0.246138      7.000
  C   0.824206   0.905336  -0.661823      6.000
  C  -0.556192   1.152558   0.352574      5.000
  C  -0.894587   0.317435   1.433675      4.000
  C  -0.624439  -1.028676   1.652528      3.000
  C   0.478048  -1.747024   1.171738      2.000
  C  -0.593449   0.713923  -1.113204      8.000
  H   2.446435  -1.954347   0.426770      9.000
  H   2.795860   0.162516  -0.478190     15.000
  H   1.259270   1.875869  -0.909604     14.000
  H  -0.689116   2.223840   0.506252     13.000
  H  -1.490040   0.813939   2.207573     12.000
  H  -1.218830  -1.523243   2.423173     11.000
  H   0.590042  -2.751946   1.586293     10.000
  C  -1.087931  -0.660921  -1.506639     16.000
  C  -1.184970   1.831110  -1.973508     17.000
 17
 Energy -388.19461522    Point 48   Kin_en 193.264
  C   1.561464  -1.318408   0.379722      1.000
  C   1.743380  -0.096657  -0.254180      7.000
  C   0.815170   0.899828  -0.649111      6.000
  C  -0.605213   1.151176   0.343972      5.000
  C  -0.888849   0.327985   1.453797      4.000
  C  -0.585910  -1.006350   1.697642      3.000
  C   0.488277  -1.746695   1.181664      2.000
  C  -0.606672   0.713798  -1.110860      8.000
  H   2.423642  -1.988845   0.363802      9.000
  H   2.781730   0.151950  -0.497287     15.000
  H   1.248331   1.871572  -0.894280     14.000
  H  -0.739400   2.223321   0.494739     13.000
  H  -1.458883   0.832293   2.241603     12.000
  H  -1.139343  -1.481725   2.510142     11.000
  H   0.600875  -2.749022   1.602173     10.000
  C  -1.116649  -0.656390  -1.504487     16.000
  C  -1.117168   1.827496  -2.027030     17.000
 17
 Energy -388.19503658    Point 49   Kin_en 199.93
  C   1.541878  -1.341008   0.345590      3.000
  C   1.724071  -0.108598  -0.269346      4.000
  C   0.801327   0.901301  -0.626210      5.000
  C  -0.648004   1.148303   0.336849      6.000
  C  -0.883310   0.339858   1.473108      7.000
  C  -0.544357  -0.979460   1.745899      1.000
  C   0.499603  -1.742387   1.197070      2.000
  C  -0.619071   0.713074  -1.110646      8.000
  H   2.387669  -2.029393   0.286047     11.000
  H   2.759188   0.131587  -0.535006     12.000
  H   1.234099   1.874885  -0.862976     13.000
  H  -0.792422   2.220328   0.482716     14.000
  H  -1.434492   0.853517   2.268091     15.000
  H  -1.054160  -1.431903   2.599262      9.000
  H   0.616886  -2.739207   1.629162     10.000
  C  -1.120340  -0.656774  -1.516063     16.000
  C  -1.063952   1.819771  -2.069018     17.000
 17
 Energy -388.19461522    Point 50   Kin_en 203.776
  C   1.514927  -1.360153   0.304953      3.000
  C   1.708058  -0.115840  -0.283322      4.000
  C   0.790902   0.908179  -0.599574      5.000
  C  -0.670191   1.155442   0.333670      6.000
  C  -0.870150   0.362002   1.491683      7.000
  C  -0.512083  -0.948680   1.777171      1.000
  C   0.496475  -1.736323   1.193476      2.000
  C  -0.627894   0.706478  -1.103724      8.000
  H   2.338125  -2.070355   0.203043     11.000
  H   2.740052   0.113574  -0.570136     12.000
  H   1.221659   1.882080  -0.836638     13.000
  H  -0.822381   2.227994   0.469665     14.000
  H  -1.401134   0.885104   2.293866     15.000
  H  -0.986087  -1.383462   2.659993      9.000
  H   0.607254  -2.734103   1.625130     10.000
  C  -1.119164  -0.670853  -1.496216     16.000
  C  -1.021415   1.790382  -2.109004     17.000
 17
 Energy -388.19327250    Point 51   Kin_en 208.677
  C   1.484716  -1.380761   0.260891      3.000
  C   1.688263  -0.125413  -0.300859      4.000
  C   0.778581   0.916016  -0.562824      5.000
  C  -0.683149   1.166957   0.329358      6.000
  C  -0.859335   0.383065   1.505368      7.000
  C  -0.478728  -0.916430   1.804811      1.000
  C   0.497390  -1.727592   1.192319      2.000
  C  -0.639851   0.700743  -1.095737      8.000
  H   2.279999  -2.113488   0.111141     11.000
  H   2.713349   0.090755  -0.620966     12.000
  H   1.209563   1.887349  -0.807162     13.000
  H  -0.838932   2.240149   0.458203     14.000
  H  -1.377328   0.913417   2.310961     15.000
  H  -0.916655  -1.333137   2.714615      9.000
  H   0.604998  -2.723520   1.629141     10.000
  C  -1.138000  -0.680776  -1.460093     16.000
  C  -0.958535   1.751408  -2.160008     17.000
 17
 Energy -388.19088450    Point 52   Kin_en 213.317
  C   1.451400  -1.398952   0.219260      3.000
  C   1.665130  -0.134821  -0.321299      4.000
  C   0.769259   0.928680  -0.516670      5.000
  C  -0.681382   1.178497   0.322632      6.000
  C  -0.852659   0.399013   1.513635      7.000
  C  -0.449957  -0.886852   1.828668      1.000
  C   0.501207  -1.717237   1.194344      2.000
  C  -0.652717   0.695868  -1.089168      8.000
  H   2.214305  -2.153144   0.019071     11.000
  H   2.678055   0.062987  -0.688444     12.000
  H   1.203453   1.893506  -0.777471     13.000
  H  -0.840831   2.251835   0.447381     14.000
  H  -1.369516   0.934842   2.315988     15.000
  H  -0.857175  -1.287473   2.759624      9.000
  H   0.609347  -2.710054   1.638458     10.000
  C  -1.164856  -0.686674  -1.422114     16.000
  C  -0.890933   1.707095  -2.209232     17.000
 17
 Energy -388.18742055    Point 53   Kin_en 217.065
  C   1.416312  -1.413051   0.183984      3.000
  C   1.639933  -0.141791  -0.345078      4.000
  C   0.771161   0.949165  -0.460049      5.000
  C  -0.665235   1.187429   0.311428      6.000
  C  -0.851101   0.408220   1.517212      7.000
  C  -0.427953  -0.861175   1.848882      1.000
  C   0.506588  -1.707414   1.197875      2.000
  C  -0.670598   0.691727  -1.084952      8.000
  H   2.143130  -2.186634  -0.067519     11.000
  H   2.633966   0.031220  -0.771369     12.000
  H   1.210006   1.902599  -0.750162     13.000
  H  -0.832422   2.260138   0.433922     14.000
  H  -1.380238   0.947725   2.308526     15.000
  H  -0.811903  -1.249069   2.794862      9.000
  H   0.615070  -2.698373   1.646315     10.000
  C  -1.195322  -0.690429  -1.387206     16.000
  C  -0.824251   1.660664  -2.251960     17.000
 17
 Energy -388.18312966    Point 54   Kin_en 220.174
  C   1.379361  -1.422891   0.154642      3.000
  C   1.612384  -0.146943  -0.374344      4.000
  C   0.787324   0.974680  -0.399374      5.000
  C  -0.640817   1.194342   0.299582      6.000
  C  -0.855904   0.412229   1.518063      7.000
  C  -0.413820  -0.839928   1.866124      1.000
  C   0.512781  -1.697504   1.203519      2.000
  C  -0.689856   0.687856  -1.084125      8.000
  H   2.070349  -2.212510  -0.142352     11.000
  H   2.581993  -0.002675  -0.862638     12.000
  H   1.230107   1.914485  -0.723535     13.000
  H  -0.821238   2.265669   0.419338     14.000
  H  -1.409163   0.951669   2.292152     15.000
  H  -0.784180  -1.219953   2.820540      9.000
  H   0.622736  -2.687033   1.654706     10.000
  C  -1.225614  -0.691997  -1.354896     16.000
  C  -0.758999   1.613331  -2.287602     17.000
 17
 Energy -388.17820772    Point 55   Kin_en 223.475
  C   1.339666  -1.428017   0.129815      3.000
  C   1.577934  -0.152606  -0.412201      4.000
  C   0.810107   1.000550  -0.343462      5.000
  C  -0.613869   1.201428   0.293196      6.000
  C  -0.866082   0.413493   1.517648      7.000
  C  -0.408701  -0.824044   1.881097      1.000
  C   0.518808  -1.685610   1.213181      2.000
  C  -0.695659   0.683189  -1.084920      8.000
  H   1.998197  -2.230568  -0.203120     11.000
  H   2.515543  -0.039254  -0.966151     12.000
  H   1.258053   1.927876  -0.694297     13.000
  H  -0.812941   2.270373   0.408122     14.000
  H  -1.451066   0.948076   2.270888     15.000
  H  -0.776853  -1.201587   2.837181      9.000
  H   0.637276  -2.671883   1.669120     10.000
  C  -1.251962  -0.690211  -1.324209     16.000
  C  -0.693123   1.565558  -2.317094     17.000
 17
 Energy -388.17228953    Point 56   Kin_en 227.263
  C   1.299755  -1.427783   0.111553      3.000
  C   1.531480  -0.158669  -0.458227      4.000
  C   0.833081   1.025985  -0.295266      5.000
  C  -0.585552   1.208927   0.293336      6.000
  C  -0.878320   0.413133   1.517231      7.000
  C  -0.412846  -0.814230   1.893628      1.000
  C   0.523470  -1.672907   1.225835      2.000
  C  -0.678058   0.675132  -1.085805      8.000
  H   1.932335  -2.239254  -0.248319     11.000
  H   2.423141  -0.077313  -1.088037     12.000
  H   1.288731   1.941520  -0.666428     13.000
  H  -0.810615   2.273807   0.400116     14.000
  H  -1.497869   0.939901   2.247452     15.000
  H  -0.788620  -1.194357   2.845512      9.000
  H   0.656488  -2.654583   1.687287     10.000
  C  -1.272708  -0.685576  -1.297194     16.000
  C  -0.629359   1.520835  -2.339933     17.000
 17
 Energy -388.16480396    Point 57   Kin_en 231.453
  C   1.264023  -1.423497   0.101639      3.000
  C   1.471637  -0.163418  -0.507890      4.000
  C   0.854099   1.051357  -0.254823      5.000
  C  -0.555844   1.216177   0.298407      6.000
  C  -0.889319   0.412388   1.518141      7.000
  C  -0.423296  -0.808830   1.903506      1.000
  C   0.525421  -1.662261   1.237907      2.000
  C  -0.636621   0.660570  -1.087358      8.000
  H   1.881756  -2.237747  -0.276940     11.000
  H   2.302519  -0.112166  -1.218405     12.000
  H   1.318008   1.954373  -0.646292     13.000
  H  -0.813900   2.274555   0.390317     14.000
  H  -1.541016   0.931652   2.224829     15.000
  H  -0.811645  -1.194823   2.847770      9.000
  H   0.673882  -2.639539   1.703471     10.000
  C  -1.290212  -0.679175  -1.275017     16.000
  C  -0.572651   1.482665  -2.356517     17.000
 17
 Energy -388.15569450    Point 58   Kin_en 236.038
  C   1.234482  -1.418169   0.098835      3.000
  C   1.401132  -0.165740  -0.557401      4.000
  C   0.872094   1.075548  -0.222562      5.000
  C  -0.524970   1.222878   0.307645      6.000
  C  -0.897777   0.412922   1.521564      7.000
  C  -0.436372  -0.804669   1.911375      1.000
  C   0.524238  -1.654883   1.246938      2.000
  C  -0.575980   0.637922  -1.091083      8.000
  H   1.853064  -2.227128  -0.289514     11.000
  H   2.168056  -0.138001  -1.337324     12.000
  H   1.342374   1.966482  -0.634459     13.000
  H  -0.821096   2.272492   0.376854     14.000
  H  -1.576263   0.927673   2.205295     15.000
  H  -0.837389  -1.197596   2.847290      9.000
  H   0.686542  -2.627825   1.716242     10.000
  C  -1.308293  -0.671190  -1.256025     16.000
  C  -0.524997   1.451376  -2.369504     17.000
 17
 Energy -388.14578919    Point 59   Kin_en 241.046
  C   1.210267  -1.414931   0.100881      3.000
  C   1.325062  -0.165933  -0.606473      4.000
  C   0.884310   1.096514  -0.199624      5.000
  C  -0.492118   1.230720   0.324410      6.000
  C  -0.903332   0.416683   1.528151      7.000
  C  -0.448710  -0.798415   1.918535      1.000
  C   0.520507  -1.650040   1.253095      2.000
  C  -0.502098   0.605599  -1.100977      8.000
  H   1.846116  -2.210836  -0.286886     11.000
  H   2.046161  -0.152346  -1.428640     12.000
  H   1.357348   1.978299  -0.628877     13.000
  H  -0.826279   2.269764   0.363708     14.000
  H  -1.603348   0.929825   2.190164     15.000
  H  -0.860401  -1.197412   2.847054      9.000
  H   0.694987  -2.617577   1.728295     10.000
  C  -1.330195  -0.660965  -1.237296     16.000
  C  -0.486640   1.424778  -2.382558     17.000
 17
 Energy -388.13718980    Point 60   Kin_en 246.221
  C   1.190152  -1.415235   0.105794      3.000
  C   1.250574  -0.166559  -0.656208      4.000
  C   0.886940   1.112338  -0.186669      5.000
  C  -0.455871   1.243454   0.355189      6.000
  C  -0.904792   0.425870   1.536653      7.000
  C  -0.456851  -0.787754   1.926095      1.000
  C   0.515134  -1.645916   1.258523      2.000
  C  -0.423640   0.560957  -1.123855      8.000
  H   1.851903  -2.194933  -0.271891     11.000
  H   1.960983  -0.158432  -1.486587     12.000
  H   1.360006   1.989054  -0.627585     13.000
  H  -0.824784   2.270947   0.357799     14.000
  H  -1.623274   0.938154   2.178194     15.000
  H  -0.876942  -1.189640   2.849500      9.000
  H   0.699210  -2.606851   1.742526     10.000
  C  -1.357213  -0.647068  -1.216049     16.000
  C  -0.458352   1.399842  -2.397728     17.000
 17
 Energy -388.13352841    Point 61   Kin_en 251.095
  C   1.172786  -1.416991   0.110651      7.000
  C   1.185281  -0.171726  -0.705121      6.000
  C   0.880168   1.122942  -0.182296      5.000
  C  -0.416611   1.263368   0.401992      4.000
  C  -0.901133   0.442209   1.545463      3.000
  C  -0.458385  -0.773082   1.934746      2.000
  C   0.508636  -1.640303   1.265434      1.000
  C  -0.352974   0.503431  -1.162845      8.000
  H   1.857971  -2.184445  -0.250782     15.000
  H   1.914329  -0.163961  -1.518019     14.000
  H   1.353170   1.996556  -0.630252     13.000
  H  -0.813690   2.279971   0.367432     12.000
  H  -1.638025   0.950154   2.168431     11.000
  H  -0.884732  -1.173900   2.855855     10.000
  H   0.698987  -2.594668   1.759223      9.000
  C  -1.387252  -0.628787  -1.192055     16.000
  C  -0.439472   1.373712  -2.415058     17.000
 17
 Energy -388.13718980    Point 62   Kin_en 255.456
  C   1.157864  -1.416956   0.113599      7.000
  C   1.132296  -0.184959  -0.750903      6.000
  C   0.867036   1.128086  -0.185667      5.000
  C  -0.374325   1.291480   0.462868      4.000
  C  -0.893352   0.465202   1.554365      3.000
  C  -0.454593  -0.756838   1.943920      2.000
  C   0.502452  -1.630929   1.275430      1.000
  C  -0.300320   0.436870  -1.214968      8.000
  H   1.860228  -2.178860  -0.227591     15.000
  H   1.891340  -0.174822  -1.535500     14.000
  H   1.342790   1.997289  -0.638407     13.000
  H  -0.785950   2.302104   0.403856     12.000
  H  -1.650901   0.961327   2.161383     11.000
  H  -0.887671  -1.155568   2.863157     10.000
  H   0.699229  -2.578610   1.779261      9.000
  C  -1.418257  -0.605848  -1.166617     16.000
  C  -0.426166   1.343359  -2.435674     17.000
 17
 Energy -388.14578919    Point 63   Kin_en 259.38
  C   1.145277  -1.414287   0.114068      7.000
  C   1.093508  -0.205653  -0.789964      6.000
  C   0.846055   1.126652  -0.197591      5.000
  C  -0.329438   1.326634   0.531646      4.000
  C  -0.882580   0.492565   1.566967      3.000
  C  -0.447856  -0.740522   1.953167      2.000
  C   0.497886  -1.617398   1.286744      1.000
  C  -0.269584   0.369473  -1.273505      8.000
  H   1.860328  -2.174636  -0.205578     15.000
  H   1.883252  -0.188980  -1.544182     14.000
  H   1.330534   1.988318  -0.654080     13.000
  H  -0.729952   2.342937   0.478341     12.000
  H  -1.657764   0.972612   2.164276     11.000
  H  -0.886803  -1.138971   2.870200     10.000
  H   0.703787  -2.557906   1.800447      9.000
  C  -1.446983  -0.581860  -1.142312     16.000
  C  -0.416534   1.307941  -2.461541     17.000
 17
 Energy -388.15569450    Point 64   Kin_en 263.254
  C   1.136471  -1.409648   0.113978      7.000
  C   1.066364  -0.231343  -0.821596      6.000
  C   0.815221   1.120238  -0.217635      5.000
  C  -0.281634   1.364099   0.601043      4.000
  C  -0.870489   0.521393   1.585975      3.000
  C  -0.442487  -0.725467   1.961179      2.000
  C   0.495759  -1.600753   1.297338      1.000
  C  -0.256826   0.309465  -1.329447      8.000
  H   1.864941  -2.167267  -0.182916     15.000
  H   1.882473  -0.202862  -1.547765     14.000
  H   1.315857   1.969732  -0.678407     13.000
  H  -0.636833   2.398952   0.589423     12.000
  H  -1.653000   0.988941   2.183429     11.000
  H  -0.885205  -1.126647   2.875652     10.000
  H   0.713854  -2.533094   1.821088      9.000
  C  -1.473115  -0.559164  -1.121158     16.000
  C  -0.407801   1.267638  -2.494685     17.000
 17
 Energy -388.16480396    Point 65   Kin_en 267.538
  C   1.132236  -1.403736   0.115218      7.000
  C   1.044653  -0.259142  -0.847728      6.000
  C   0.775365   1.113251  -0.243416      5.000
  C  -0.231336   1.397689   0.665826      4.000
  C  -0.856102   0.550857   1.611855      3.000
  C  -0.441673  -0.712384   1.966984      2.000
  C   0.494481  -1.583155   1.306073      1.000
  C  -0.254215   0.260664  -1.375287      8.000
  H   1.878133  -2.154174  -0.157234     15.000
  H   1.881945  -0.215197  -1.549309     14.000
  H   1.296032   1.946894  -0.710153     13.000
  H  -0.513655   2.453888   0.716433     12.000
  H  -1.631317   1.015574   2.220952     11.000
  H  -0.886617  -1.118808   2.878415     10.000
  H   0.726157  -2.506284   1.840490      9.000
  C  -1.497787  -0.537664  -1.104151     16.000
  C  -0.396640   1.222172  -2.535423     17.000
 17
 Energy -388.17228953    Point 66   Kin_en 272.522
  C   1.131766  -1.396102   0.118842      7.000
  C   1.025483  -0.287614  -0.869531      6.000
  C   0.728235   1.108446  -0.273628      5.000
  C  -0.180807   1.423353   0.722464      4.000
  C  -0.836356   0.580943   1.644197      3.000
  C  -0.446307  -0.701872   1.970658      2.000
  C   0.491012  -1.566931   1.312581      1.000
  C  -0.256574   0.225941  -1.406292      8.000
  H   1.899525  -2.133914  -0.127578     15.000
  H   1.877414  -0.227895  -1.552665     14.000
  H   1.268574   1.925249  -0.747389     13.000
  H  -0.378335   2.494160   0.835130     12.000
  H  -1.590695   1.052259   2.274264     11.000
  H  -0.894362  -1.115189   2.877708     10.000
  H   0.735403  -2.480828   1.857425      9.000
  C  -1.522134  -0.514889  -1.091103     16.000
  C  -0.379347   1.169554  -2.583129     17.000
 17
 Energy -388.17820772    Point 67   Kin_en 278.222
  C   1.133459  -1.387081   0.124921      7.000
  C   1.010097  -0.316662  -0.886374      6.000
  C   0.674658   1.106898  -0.308142      5.000
  C  -0.134841   1.440692   0.767657      4.000
  C  -0.809107   0.610309   1.680374      3.000
  C  -0.454085  -0.694293   1.973326      2.000
  C   0.482250  -1.555044   1.316771      1.000
  C  -0.260320   0.208408  -1.420049      8.000
  H   1.924699  -2.109028  -0.094367     15.000
  H   1.870323  -0.242840  -1.557227     14.000
  H   1.233642   1.907586  -0.787840     13.000
  H  -0.251798   2.517360   0.928677     12.000
  H  -1.531775   1.093714   2.338148     11.000
  H  -0.906535  -1.113630   2.875598     10.000
  H   0.734614  -2.462488   1.869065      9.000
  C  -1.546115  -0.487884  -1.081123     16.000
  C  -0.354097   1.109034  -2.635332     17.000
 17
 Energy -388.18312966    Point 68   Kin_en 284.423
  C   1.135172  -1.378745   0.132149      7.000
  C   1.000263  -0.347241  -0.897634      6.000
  C   0.614596   1.109928  -0.345996      5.000
  C  -0.097953   1.453101   0.800255      4.000
  C  -0.775395   0.637478   1.715679      3.000
  C  -0.460415  -0.688908   1.976447      2.000
  C   0.466629  -1.549853   1.318847      1.000
  C  -0.262314   0.207819  -1.418583      8.000
  H   1.947161  -2.085729  -0.060603     15.000
  H   1.864929  -0.263072  -1.560885     14.000
  H   1.196560   1.893785  -0.826888     13.000
  H  -0.144573   2.529803   0.995007     12.000
  H  -1.457496   1.134137   2.406500     11.000
  H  -0.915173  -1.109675   2.876993     10.000
  H   0.718561  -2.456458   1.873006      9.000
  C  -1.567828  -0.455816  -1.072791     16.000
  C  -0.322345   1.042239  -2.687354     17.000
 17
 Energy -388.18742055    Point 69   Kin_en 290.827
  C   1.133949  -1.374030   0.138389      7.000
  C   0.994621  -0.378907  -0.903699      6.000
  C   0.551947   1.120566  -0.383319      5.000
  C  -0.068494   1.465301   0.822660      4.000
  C  -0.735899   0.662694   1.748083      3.000
  C  -0.462566  -0.683844   1.981209      2.000
  C   0.444779  -1.550852   1.319152      1.000
  C  -0.263777   0.217406  -1.410129      8.000
  H   1.960212  -2.071023  -0.031077     15.000
  H   1.860910  -0.287920  -1.563187     14.000
  H   1.162269   1.884963  -0.861849     13.000
  H  -0.050177   2.537789   1.044446     12.000
  H  -1.368565   1.171684   2.476514     11.000
  H  -0.915778  -1.100454   2.884481     10.000
  H   0.686568  -2.463090   1.868803      9.000
  C  -1.587034  -0.420524  -1.065041     16.000
  C  -0.287655   0.969741  -2.735943     17.000
 17
 Energy -388.19088450    Point 70   Kin_en 297.235
  C   1.125659  -1.374743   0.142488      7.000
  C   0.987029  -0.405478  -0.904759      6.000
  C   0.497601   1.140920  -0.414546      5.000
  C  -0.039551   1.480101   0.837736      4.000
  C  -0.686878   0.686889   1.779912      3.000
  C  -0.460956  -0.677018   1.988903      2.000
  C   0.417389  -1.556800   1.317253      1.000
  C  -0.269016   0.226543  -1.404588      8.000
  H   1.957264  -2.069364  -0.012297     15.000
  H   1.852446  -0.313046  -1.564722     14.000
  H   1.131283   1.886496  -0.894124     13.000
  H   0.039102   2.544939   1.082431     12.000
  H  -1.262292   1.207739   2.547063     11.000
  H  -0.912803  -1.086746   2.895862     10.000
  H   0.639862  -2.480006   1.856880      9.000
  C  -1.607744  -0.383465  -1.057797     16.000
  C  -0.252851   0.889085  -2.781049     17.000
 17
 Energy -388.19327250    Point 71   Kin_en 303.389
  C   1.107951  -1.379473   0.144312      7.000
  C   0.975432  -0.419707  -0.899631      6.000
  C   0.457335   1.166211  -0.439138      5.000
  C  -0.008935   1.496276   0.847085      4.000
  C  -0.627587   0.709086   1.811705      3.000
  C  -0.455919  -0.668538   1.999697      2.000
  C   0.384627  -1.567027   1.312576      1.000
  C  -0.277895   0.232536  -1.403493      8.000
  H   1.935945  -2.079415  -0.007608     15.000
  H   1.839009  -0.331084  -1.562195     14.000
  H   1.102483   1.898962  -0.924724     13.000
  H   0.117681   2.552982   1.106585     12.000
  H  -1.143426   1.240962   2.613460     11.000
  H  -0.908149  -1.069607   2.910135     10.000
  H   0.580242  -2.504964   1.837152      9.000
  C  -1.631137  -0.346792  -1.053327     16.000
  C  -0.219818   0.801966  -2.821415     17.000
 17
 Energy -388.19461522    Point 72   Kin_en 308.962
  C   1.082451  -1.386048   0.143168      7.000
  C   0.964352  -0.420239  -0.888235      6.000
  C   0.426577   1.190284  -0.459412      5.000
  C   0.020035   1.511197   0.852664      4.000
  C  -0.563843   0.727951   1.841246      3.000
  C  -0.445691  -0.659405   2.013016      2.000
  C   0.347485  -1.580160   1.304954      1.000
  C  -0.288095   0.239119  -1.404063      8.000
  H   1.899234  -2.097872  -0.015726     15.000
  H   1.827251  -0.336930  -1.551929     14.000
  H   1.074456   1.916527  -0.952421     13.000
  H   0.181442   2.561393   1.119009     12.000
  H  -1.020722   1.268969   2.672502     11.000
  H  -0.894744  -1.049835   2.929575     10.000
  H   0.510225  -2.535056   1.809713      9.000
  C  -1.652358  -0.316439  -1.053951     16.000
  C  -0.191340   0.716651  -2.854200     17.000
 17
 Energy -388.19503658    Point 73   Kin_en 313.611
  C   1.050773  -1.390780   0.135537      4.000
  C   0.959223  -0.404651  -0.873358      5.000
  C   0.397269   1.212126  -0.474240      6.000
  C   0.045424   1.524883   0.859334      7.000
  C  -0.496803   0.743529   1.871945      1.000
  C  -0.430106  -0.650943   2.027258      2.000
  C   0.303998  -1.593831   1.289345      3.000
  C  -0.298313   0.245640  -1.405677      8.000
  H   1.849677  -2.119899  -0.037288     12.000
  H   1.824864  -0.321219  -1.532843     13.000
  H   1.038893   1.939021  -0.975552     14.000
  H   0.233269   2.570224   1.126956     15.000
  H  -0.892410   1.290238   2.730687      9.000
  H  -0.869113  -1.031994   2.952559     10.000
  H   0.427173  -2.567918   1.767636     11.000
  C  -1.661686  -0.314869  -1.060480     16.000
  C  -0.173164   0.649183  -2.876277     17.000
 17
 Energy -388.19461522    Point 74   Kin_en 313.971
  C   1.027972  -1.392122   0.128151      4.000
  C   0.963885  -0.383925  -0.856349      5.000
  C   0.388034   1.228080  -0.486606      6.000
  C   0.077328   1.537764   0.861757      7.000
  C  -0.443963   0.756678   1.884381      1.000
  C  -0.431227  -0.643082   2.021430      2.000
  C   0.257122  -1.603522   1.265156      3.000
  C  -0.305818   0.250000  -1.398408      8.000
  H   1.809968  -2.137016  -0.054934     12.000
  H   1.828586  -0.301904  -1.516499     13.000
  H   1.023196   1.953615  -0.998655     14.000
  H   0.289508   2.577566   1.131699     15.000
  H  -0.793489   1.304472   2.762359      9.000
  H  -0.876516  -1.017849   2.946324     10.000
  H   0.335626  -2.593635   1.718963     11.000
  C  -1.664437  -0.311622  -1.036230     16.000
  C  -0.172660   0.579787  -2.886293     17.000
 17
 Energy -388.19327250    Point 75   Kin_en 314.583
  C   0.996914  -1.395760   0.120391      4.000
  C   0.970033  -0.359653  -0.831703      5.000
  C   0.390433   1.237666  -0.502695      6.000
  C   0.109035   1.550216   0.858061      7.000
  C  -0.388435   0.771510   1.892157      1.000
  C  -0.428071  -0.631551   2.017794      2.000
  C   0.202653  -1.611923   1.240799      3.000
  C  -0.314285   0.256205  -1.391644      8.000
  H   1.752340  -2.163061  -0.081051     12.000
  H   1.831410  -0.288449  -1.496454     13.000
  H   1.024418   1.958172  -1.023794     14.000
  H   0.340274   2.586307   1.125668     15.000
  H  -0.690802   1.321052   2.786443      9.000
  H  -0.874422  -0.995742   2.946450     10.000
  H   0.228502  -2.616791   1.666665     11.000
  C  -1.674288  -0.281848  -1.003838     16.000
  C  -0.167320   0.481810  -2.896846     17.000
 17
 Energy -388.19088450    Point 76   Kin_en 314.796
  C   0.962116  -1.398640   0.110486      4.000
  C   0.984579  -0.331019  -0.801364      5.000
  C   0.403065   1.235221  -0.518647      6.000
  C   0.133426   1.560338   0.851395      7.000
  C  -0.339072   0.786901   1.897053      1.000
  C  -0.421665  -0.618639   2.016445      2.000
  C   0.147227  -1.614987   1.217311      3.000
  C  -0.322671   0.262429  -1.386929      8.000
  H   1.679365  -2.194482  -0.117836     12.000
  H   1.839467  -0.280005  -1.475157     13.000
  H   1.036872   1.951492  -1.046175     14.000
  H   0.372720   2.596668   1.109820     15.000
  H  -0.601081   1.338266   2.802786      9.000
  H  -0.865406  -0.972522   2.950511     10.000
  H   0.116567  -2.631831   1.612271     11.000
  C  -1.686071  -0.242873  -0.974165     16.000
  C  -0.161476   0.377429  -2.901743     17.000
 17
 Energy -388.18742055    Point 77   Kin_en 314.3
  C   0.927019  -1.399953   0.096597      4.000
  C   1.015913  -0.300667  -0.764703      5.000
  C   0.422220   1.219037  -0.534034      6.000
  C   0.147508   1.568219   0.843730      7.000
  C  -0.299088   0.802861   1.899761      1.000
  C  -0.414622  -0.606491   2.016695      2.000
  C   0.095339  -1.611175   1.196466      3.000
  C  -0.334175   0.271285  -1.385655      8.000
  H   1.593753  -2.228525  -0.165494     12.000
  H   1.858290  -0.279471  -1.454440     13.000
  H   1.053032   1.934689  -1.066557     14.000
  H   0.381564   2.609412   1.085315     15.000
  H  -0.530564   1.356214   2.812436      9.000
  H  -0.857813  -0.952184   2.954215     10.000
  H   0.006895  -2.636544   1.558049     11.000
  C  -1.699043  -0.202250  -0.949828     16.000
  C  -0.155452   0.275630  -2.899722     17.000
 17
 Energy -388.18312966    Point 78   Kin_en 313.361
  C   0.890334  -1.401035   0.076910      4.000
  C   1.062088  -0.275432  -0.724905      5.000
  C   0.445132   1.195647  -0.546933      6.000
  C   0.152251   1.576499   0.835756      7.000
  C  -0.269049   0.820148   1.901082      1.000
  C  -0.406611  -0.594189   2.018546      2.000
  C   0.047097  -1.600790   1.177465      3.000
  C  -0.347103   0.279642  -1.387694      8.000
  H   1.499461  -2.261446  -0.219808     12.000
  H   1.888538  -0.286723  -1.432876     13.000
  H   1.068467   1.914214  -1.085217     14.000
  H   0.368247   2.625951   1.055532     15.000
  H  -0.482301   1.376257   2.816375      9.000
  H  -0.849351  -0.933716   2.958509     10.000
  H  -0.094707  -2.630134   1.508388     11.000
  C  -1.710645  -0.162208  -0.929578     16.000
  C  -0.148907   0.178145  -2.891044     17.000
 17
 Energy -388.17820772    Point 79   Kin_en 312.661
  C   0.845362  -1.402141   0.049364      4.000
  C   1.111785  -0.257654  -0.687668      5.000
  C   0.472143   1.172920  -0.554589      6.000
  C   0.151652   1.586392   0.827461      7.000
  C  -0.249550   0.839762   1.901877      1.000
  C  -0.397039  -0.578841   2.022264      2.000
  C   0.000503  -1.583789   1.158619      3.000
  C  -0.351230   0.277654  -1.388267      8.000
  H   1.388705  -2.291999  -0.284927     12.000
  H   1.926203  -0.298310  -1.407908     13.000
  H   1.083573   1.896492  -1.100553     14.000
  H   0.340648   2.645198   1.023846     15.000
  H  -0.458035   1.400510   2.815260      9.000
  H  -0.833151  -0.915165   2.966374     10.000
  H  -0.187915  -2.612912   1.465216     11.000
  C  -1.717333  -0.123010  -0.912670     16.000
  C  -0.140088   0.083507  -2.876407     17.000
 17
 Energy -388.17228953    Point 80   Kin_en 312.553
  C   0.788592  -1.399473   0.013272      4.000
  C   1.159271  -0.244996  -0.655683      5.000
  C   0.503354   1.152258  -0.556201      6.000
  C   0.149260   1.596677   0.820036      7.000
  C  -0.241601   0.861401   1.902329      1.000
  C  -0.388508  -0.560839   2.027271      2.000
  C  -0.042243  -1.560688   1.141421      3.000
  C  -0.340765   0.257906  -1.382715      8.000
  H   1.252326  -2.314548  -0.368735     12.000
  H   1.966006  -0.313655  -1.382351     13.000
  H   1.096707   1.883321  -1.112531     14.000
  H   0.307464   2.664267   0.992580     15.000
  H  -0.457313   1.428252   2.810038      9.000
  H  -0.813611  -0.897155   2.976219     10.000
  H  -0.268248  -2.587391   1.429437     11.000
  C  -1.718679  -0.086713  -0.900629     16.000
  C  -0.127636  -0.004034  -2.857973     17.000
 17
 Energy -388.16480396    Point 81   Kin_en 313.028
  C   0.722275  -1.388467  -0.029139      4.000
  C   1.203460  -0.235490  -0.629286      5.000
  C   0.537552   1.132660  -0.552463      6.000
  C   0.147935   1.606309   0.814611      7.000
  C  -0.242693   0.883581   1.901869      1.000
  C  -0.385091  -0.542684   2.031943      2.000
  C  -0.078089  -1.534408   1.128682      3.000
  C  -0.317881   0.218133  -1.369436      8.000
  H   1.096168  -2.319306  -0.466824     12.000
  H   2.002737  -0.332962  -1.361100     13.000
  H   1.105293   1.871693  -1.124042     14.000
  H   0.277501   2.680937   0.963398     15.000
  H  -0.472670   1.456644   2.801952      9.000
  H  -0.800091  -0.880634   2.984533     10.000
  H  -0.328060  -2.559245   1.402802     11.000
  C  -1.717174  -0.053327  -0.894463     16.000
  C  -0.112246  -0.079347  -2.839102     17.000
 17
 Energy -388.15569450    Point 82   Kin_en 313.991
  C   0.650796  -1.368267  -0.075145      4.000
  C   1.242691  -0.228942  -0.608431      5.000
  C   0.573747   1.113806  -0.543985      6.000
  C   0.149741   1.615877   0.811286      7.000
  C  -0.247953   0.905759   1.899839      1.000
  C  -0.388231  -0.525732   2.034994      2.000
  C  -0.107515  -1.508395   1.121653      3.000
  C  -0.287896   0.159777  -1.349350      8.000
  H   0.941056  -2.303061  -0.564156     12.000
  H   2.033746  -0.353662  -1.345495     13.000
  H   1.109238   1.859625  -1.136583     14.000
  H   0.256730   2.695576   0.936199     15.000
  H  -0.493639   1.484224   2.792117      9.000
  H  -0.795112  -0.864602   2.990411     10.000
  H  -0.362977  -2.534119   1.387176     11.000
  C  -1.715089  -0.019964  -0.893195     16.000
  C  -0.096131  -0.142574  -2.822605     17.000
 17
 Energy -388.14578919    Point 83   Kin_en 315.245
  C   0.578045  -1.342297  -0.123430      4.000
  C   1.273279  -0.224683  -0.593697      5.000
  C   0.614168   1.097660  -0.529186      6.000
  C   0.156211   1.626548   0.809209      7.000
  C  -0.252196   0.928133   1.895929      1.000
  C  -0.396307  -0.509555   2.036444      2.000
  C  -0.133266  -1.484483   1.120493      3.000
  C  -0.257904   0.083913  -1.325687      8.000
  H   0.812135  -2.275257  -0.643923     12.000
  H   2.056768  -0.370971  -1.335526     13.000
  H   1.114379   1.846016  -1.147709     14.000
  H   0.246498   2.709690   0.910461     15.000
  H  -0.511736   1.511597   2.780828      9.000
  H  -0.795182  -0.846649   2.995429     10.000
  H  -0.374774  -2.514052   1.384677     11.000
  C  -1.713427   0.016810  -0.895033     16.000
  C  -0.082607  -0.197117  -2.810287     17.000
 17
 Energy -388.13718980    Point 84   Kin_en 316.336
  C   0.507580  -1.317208  -0.172080      4.000
  C   1.291186  -0.220340  -0.585741      5.000
  C   0.663434   1.088605  -0.504927      6.000
  C   0.168446   1.637993   0.806177      7.000
  C  -0.251238   0.949895   1.890420      1.000
  C  -0.405897  -0.492794   2.037323      2.000
  C  -0.156598  -1.463436   1.124444      3.000
  C  -0.238217  -0.008183  -1.303986      8.000
  H   0.726126  -2.251865  -0.694509     12.000
  H   2.069926  -0.380897  -1.330465     13.000
  H   1.127515   1.833707  -1.154000     14.000
  H   0.244313   2.723495   0.884626     15.000
  H  -0.520718   1.539422   2.768204      9.000
  H  -0.796631  -0.824423   3.001112     10.000
  H  -0.372649  -2.497096   1.395293     11.000
  C  -1.711431   0.058793  -0.898358     16.000
  C  -0.075372  -0.245280  -2.802303     17.000
 17
 Energy -388.13352841    Point 85   Kin_en 316.77
  C   0.442877  -1.299499  -0.216193      6.000
  C   1.296974  -0.214174  -0.583879      5.000
  C   0.722511   1.089669  -0.471022      4.000
  C   0.186765   1.649460   0.800277      3.000
  C  -0.243827   0.969082   1.884792      2.000
  C  -0.413549  -0.474108   2.038339      1.000
  C  -0.176565  -1.445037   1.129702      7.000
  C  -0.238540  -0.109352  -1.288946      8.000
  H   0.677855  -2.241205  -0.716542     14.000
  H   2.073749  -0.384527  -1.328994     13.000
  H   1.154063   1.827549  -1.150465     12.000
  H   0.244947   2.736781   0.859098     11.000
  H  -0.518935   1.566119   2.755845     10.000
  H  -0.797382  -0.797911   3.007202      9.000
  H  -0.368072  -2.480143   1.414270     15.000
  C  -1.707492   0.103637  -0.902533     16.000
  C  -0.076281  -0.288715  -2.797062     17.000
 17
 Energy -388.13718980    Point 86   Kin_en 316.36
  C   0.384113  -1.292081  -0.251282      6.000
  C   1.292618  -0.207768  -0.587174      5.000
  C   0.791218   1.100704  -0.429779      4.000
  C   0.210058   1.661322   0.791471      3.000
  C  -0.232374   0.985086   1.879866      2.000
  C  -0.415658  -0.452844   2.039919      1.000
  C  -0.191255  -1.428685   1.132959      7.000
  C  -0.261844  -0.208774  -1.282593      8.000
  H   0.649320  -2.241827  -0.719780     14.000
  H   2.068978  -0.388144  -1.329844     13.000
  H   1.205038   1.830928  -1.129640     12.000
  H   0.243014   2.750086   0.836163     11.000
  H  -0.513139   1.590257   2.743854     10.000
  H  -0.791358  -0.769319   3.014270      9.000
  H  -0.363951  -2.462048   1.437196     15.000
  C  -1.700907   0.149063  -0.907851     16.000
  C  -0.085757  -0.332053  -2.793050     17.000
 17
 Energy -388.14578919    Point 87   Kin_en 315.295
  C   0.333470  -1.294463  -0.274337      6.000
  C   1.275945  -0.201209  -0.596384      5.000
  C   0.866708   1.118538  -0.385778      4.000
  C   0.237558   1.675178   0.783772      3.000
  C  -0.219079   0.998659   1.875764      2.000
  C  -0.411329  -0.430768   2.040791      1.000
  C  -0.200399  -1.414362   1.133269      7.000
  C  -0.302709  -0.296367  -1.285120      8.000
  H   0.633796  -2.249229  -0.711423     14.000
  H   2.053677  -0.395654  -1.333198     13.000
  H   1.295268   1.843984  -1.083052     12.000
  H   0.244656   2.764493   0.822173     11.000
  H  -0.506563   1.609902   2.733739     10.000
  H  -0.775729  -0.742265   3.021108      9.000
  H  -0.357954  -2.444038   1.459682     15.000
  C  -1.693224   0.190148  -0.913254     16.000
  C  -0.104225  -0.377873  -2.791011     17.000
 17
 Energy -388.15569450    Point 88   Kin_en 314.068
  C   0.290040  -1.303648  -0.286440      6.000
  C   1.246746  -0.193241  -0.612509      5.000
  C   0.944622   1.136606  -0.342277      4.000
  C   0.268196   1.692270   0.780523      3.000
  C  -0.207405   1.011912   1.871186      2.000
  C  -0.401842  -0.409628   2.040098      1.000
  C  -0.204136  -1.402288   1.132952      7.000
  C  -0.349939  -0.366574  -1.293184      8.000
  H   0.625876  -2.258695  -0.697865     14.000
  H   2.026966  -0.408953  -1.340047     13.000
  H   1.428997   1.857472  -1.007824     12.000
  H   0.260884   2.781399   0.820685     11.000
  H  -0.502292   1.625946   2.725124     10.000
  H  -0.751364  -0.717992   3.026954      9.000
  H  -0.344055  -2.427589   1.482209     15.000
  C  -1.686444   0.225895  -0.919023     16.000
  C  -0.130379  -0.429230  -2.792029     17.000
 17
 Energy -388.16480396    Point 89   Kin_en 313.133
  C   0.250257  -1.315060  -0.291695      6.000
  C   1.209505  -0.182385  -0.635298      5.000
  C   1.019929   1.149006  -0.299840      4.000
  C   0.303035   1.711732   0.782671      3.000
  C  -0.200399   1.026692   1.864762      2.000
  C  -0.391456  -0.389304   2.037627      1.000
  C  -0.203559  -1.392078   1.134191      7.000
  C  -0.393065  -0.419384  -1.301386      8.000
  H   0.619508  -2.266672  -0.683222     14.000
  H   1.991566  -0.424813  -1.351894     13.000
  H   1.586013   1.857626  -0.912399     12.000
  H   0.301088   2.800551   0.831551     11.000
  H  -0.503400   1.641128   2.715950     10.000
  H  -0.724193  -0.694500   3.031399      9.000
  H  -0.319739  -2.412758   1.506297     15.000
  C  -1.680933   0.257851  -0.927133     16.000
  C  -0.161144  -0.489110  -2.795389     17.000
 17
 Energy -388.17228953    Point 90   Kin_en 312.688
  C   0.212367  -1.326645  -0.292120      6.000
  C   1.167981  -0.168726  -0.664232      5.000
  C   1.088024   1.153098  -0.259129      4.000
  C   0.344316   1.731160   0.790508      3.000
  C  -0.199550   1.043765   1.856352      2.000
  C  -0.385171  -0.368368   2.033515      1.000
  C  -0.199865  -1.382095   1.137534      7.000
  C  -0.424858  -0.454722  -1.306623      8.000
  H   0.608708  -2.273374  -0.669802     14.000
  H   1.950781  -0.439197  -1.369676     13.000
  H   1.739271   1.837734  -0.811840     12.000
  H   0.366477   2.819155   0.853168     11.000
  H  -0.512784   1.658203   2.704099     10.000
  H  -0.702355  -0.669335   3.033816      9.000
  H  -0.285967  -2.397697   1.532100     15.000
  C  -1.674968   0.288682  -0.940028     16.000
  C  -0.194015  -0.561122  -2.798537     17.000
 17
 Energy -388.17820772    Point 91   Kin_en 312.826
  C   0.177282  -1.338813  -0.287020      6.000
  C   1.123832  -0.152466  -0.699354      5.000
  C   1.144764   1.150140  -0.223085      4.000
  C   0.391685   1.746909   0.803542      3.000
  C  -0.203738   1.061778   1.847530      2.000
  C  -0.387842  -0.346083   2.028403      1.000
  C  -0.194935  -1.371327   1.142711      7.000
  C  -0.439781  -0.472243  -1.308174      8.000
  H   0.593159  -2.280399  -0.655727     14.000
  H   1.907813  -0.449985  -1.392556     13.000
  H   1.868865   1.802491  -0.722019     12.000
  H   0.451447   2.832463   0.884780     11.000
  H  -0.527747   1.677731   2.690305     10.000
  H  -0.696394  -0.641730   3.033172      9.000
  H  -0.248451  -2.380675   1.559496     15.000
  C  -1.665708   0.320406  -0.959212     16.000
  C  -0.226800  -0.645323  -2.798648     17.000
 17
 Energy -388.18312966    Point 92   Kin_en 313.552
  C   0.145971  -1.352647  -0.275480      6.000
  C   1.078574  -0.131913  -0.740714      5.000
  C   1.188948   1.144519  -0.194891      4.000
  C   0.441430   1.756316   0.819551      3.000
  C  -0.209533   1.077768   1.840498      2.000
  C  -0.402240  -0.323158   2.023096      1.000
  C  -0.191822  -1.360348   1.148772      7.000
  C  -0.436275  -0.474943  -1.307084      8.000
  H   0.574747  -2.290596  -0.637465     14.000
  H   1.867813  -0.457556  -1.415569     13.000
  H   1.971238   1.761625  -0.649415     12.000
  H   0.547215   2.836463   0.925655     11.000
  H  -0.539319   1.697413   2.678419     10.000
  H  -0.714271  -0.612915   3.028666      9.000
  H  -0.216317  -2.362123   1.587120     15.000
  C  -1.650701   0.352650  -0.983646     16.000
  C  -0.257553  -0.736311  -2.793484     17.000
 17
 Energy -388.18742055    Point 93   Kin_en 314.513
  C   0.118635  -1.366960  -0.258574      6.000
  C   1.038386  -0.105603  -0.786034      5.000
  C   1.224879   1.139192  -0.174580      4.000
  C   0.491259   1.759088   0.837126      3.000
  C  -0.214476   1.090891   1.835961      2.000
  C  -0.427453  -0.300144   2.017505      1.000
  C  -0.194285  -1.349746   1.154724      7.000
  C  -0.421792  -0.469515  -1.306504      8.000
  H   0.555484  -2.302645  -0.615388     14.000
  H   1.836116  -0.461983  -1.435964     13.000
  H   2.056780   1.720035  -0.587276     12.000
  H   0.648826   2.829612   0.975322     11.000
  H  -0.543312   1.715981   2.670225     10.000
  H  -0.756602  -0.583669   3.019519      9.000
  H  -0.198750  -2.343276   1.613100     15.000
  C  -1.630801   0.383872  -1.011414     16.000
  C  -0.286576  -0.829287  -2.781849     17.000
 17
 Energy -388.19088450    Point 94   Kin_en 315.03
  C   0.096672  -1.374761  -0.240650      6.000
  C   1.013890  -0.077164  -0.828992      5.000
  C   1.259063   1.132806  -0.159923      4.000
  C   0.543173   1.755154   0.857964      3.000
  C  -0.218481   1.103968   1.833055      2.000
  C  -0.462686  -0.276417   2.010600      1.000
  C  -0.205934  -1.337458   1.160227      7.000
  C  -0.408660  -0.463971  -1.309308      8.000
  H   0.536409  -2.310675  -0.592417     14.000
  H   1.817340  -0.461433  -1.456873     13.000
  H   2.133455   1.677992  -0.531613     12.000
  H   0.755855   2.811277   1.031960     11.000
  H  -0.546029   1.736237   2.662251     10.000
  H  -0.821218  -0.552526   3.004692      9.000
  H  -0.203739  -2.324070   1.634163     15.000
  C  -1.609536   0.414486  -1.043271     16.000
  C  -0.315903  -0.925087  -2.762799     17.000
 17
 Energy -388.19327250    Point 95   Kin_en 314.837
  C   0.084221  -1.370873  -0.224886      6.000
  C   1.005497  -0.052874  -0.865002      5.000
  C   1.292499   1.124176  -0.148829      4.000
  C   0.597014   1.744414   0.882915      3.000
  C  -0.221663   1.117939   1.831576      2.000
  C  -0.507241  -0.251559   2.001448      1.000
  C  -0.227129  -1.320897   1.164032      7.000
  C  -0.399241  -0.460915  -1.315011      8.000
  H   0.523319  -2.309503  -0.569526     14.000
  H   1.810845  -0.455927  -1.479732     13.000
  H   2.198164   1.639085  -0.487411     12.000
  H   0.862718   2.782633   1.090987     11.000
  H  -0.549502   1.759458   2.653306     10.000
  H  -0.904877  -0.519106   2.983015      9.000
  H  -0.232462  -2.303545   1.646679     15.000
  C  -1.589940   0.442701  -1.080036     16.000
  C  -0.345451  -1.021923  -2.736456     17.000
 17
 Energy -388.19461522    Point 96   Kin_en 314.243
  C   0.084490  -1.357856  -0.211251      6.000
  C   1.004423  -0.033466  -0.894327      5.000
  C   1.322069   1.115238  -0.139751      4.000
  C   0.648718   1.728996   0.909812      3.000
  C  -0.221963   1.130321   1.832701      2.000
  C  -0.558017  -0.226428   1.989449      1.000
  C  -0.254994  -1.301070   1.164268      7.000
  C  -0.389786  -0.458321  -1.322716      8.000
  H   0.523807  -2.299641  -0.546010     14.000
  H   1.810634  -0.446582  -1.502266     13.000
  H   2.248908   1.606590  -0.455103     12.000
  H   0.962981   2.746930   1.149551     11.000
  H  -0.546424   1.780844   2.648612     10.000
  H  -1.001518  -0.484942   2.953589      9.000
  H  -0.279640  -2.282414   1.649483     15.000
  C  -1.574390   0.462048  -1.117606     16.000
  C  -0.372870  -1.111601  -2.705914     17.000
 17
 Energy -388.19503658    Point 97   Kin_en 313.611
  C   0.101703  -1.340011  -0.201579      5.000
  C   1.004527  -0.013097  -0.918003      6.000
  C   1.347966   1.109899  -0.129991      7.000
  C   0.699052   1.711735   0.940807      1.000
  C  -0.219836   1.139700   1.836096      2.000
  C  -0.615095  -0.201426   1.968809      3.000
  C  -0.286419  -1.279534   1.156510      4.000
  C  -0.380313  -0.457071  -1.331055      8.000
  H   0.549242  -2.281841  -0.523884     13.000
  H   1.810972  -0.426941  -1.526075     14.000
  H   2.289806   1.582050  -0.429417     15.000
  H   1.059309   2.705983   1.213789      9.000
  H  -0.537093   1.795334   2.650714     10.000
  H  -1.111698  -0.451135   2.908921     11.000
  H  -0.339756  -2.260992   1.639862     12.000
  C  -1.573330   0.455479  -1.141110     16.000
  C  -0.390748  -1.181310  -2.678846     17.000
 17
 Energy -388.19461522    Point 98   Kin_en 309.262
  C   0.131350  -1.325073  -0.191657      5.000
  C   1.012366  -0.005607  -0.933070      6.000
  C   1.374044   1.100146  -0.122500      7.000
  C   0.732289   1.694343   0.955778      1.000
  C  -0.232498   1.147334   1.820784      2.000
  C  -0.669136  -0.180717   1.938457      3.000
  C  -0.304843  -1.264628   1.148451      4.000
  C  -0.370211  -0.453164  -1.330096      8.000
  H   0.583373  -2.266466  -0.507394     13.000
  H   1.816436  -0.420229  -1.544287     14.000
  H   2.327760   1.557143  -0.406498     15.000
  H   1.121730   2.670088   1.254691      9.000
  H  -0.557244   1.811844   2.625228     10.000
  H  -1.216704  -0.417967   2.852956     11.000
  H  -0.381334  -2.245001   1.631071     12.000
  C  -1.562013   0.460189  -1.135594     16.000
  C  -0.421591  -1.230724  -2.646551     17.000
 17
 Energy -388.19327250    Point 99   Kin_en 303.698
  C   0.167305  -1.305005  -0.176116      5.000
  C   1.022741  -0.011002  -0.943842      6.000
  C   1.397377   1.088304  -0.119404      7.000
  C   0.765611   1.674934   0.966853      1.000
  C  -0.240702   1.155581   1.805628      2.000
  C  -0.727592  -0.154341   1.904136      3.000
  C  -0.329753  -1.244977   1.139198      4.000
  C  -0.358762  -0.449112  -1.330668      8.000
  H   0.615373  -2.250414  -0.483313     13.000
  H   1.826285  -0.430590  -1.552836     14.000
  H   2.359456   1.532892  -0.393844     15.000
  H   1.183655   2.631142   1.289457      9.000
  H  -0.566262   1.829655   2.601805     10.000
  H  -1.331178  -0.375541   2.786488     11.000
  H  -0.441754  -2.225003   1.615646     12.000
  C  -1.534406   0.484327  -1.140787     16.000
  C  -0.467993  -1.298517  -2.597439     17.000
 17
 Energy -388.19088450    Point 100   Kin_en 297.549
  C   0.212898  -1.285059  -0.156368      5.000
  C   1.030651  -0.028251  -0.945615      6.000
  C   1.413479   1.079379  -0.119773      7.000
  C   0.795257   1.658684   0.974334      1.000
  C  -0.243952   1.162556   1.793187      2.000
  C  -0.781024  -0.126266   1.867020      3.000
  C  -0.356087  -1.224528   1.125966      4.000
  C  -0.348767  -0.445675  -1.332776      8.000
  H   0.647031  -2.238792  -0.455292     13.000
  H   1.835186  -0.451340  -1.551222     14.000
  H   2.377785   1.517490  -0.395816     15.000
  H   1.236441   2.597866   1.315358      9.000
  H  -0.567257   1.844056   2.584168     10.000
  H  -1.440940  -0.330534   2.711822     11.000
  H  -0.516993  -2.204387   1.588489     12.000
  C  -1.503357   0.512914  -1.152240     16.000
  C  -0.519031  -1.365428  -2.540640     17.000
 17
 Energy -388.18742055    Point 101   Kin_en 291.141
  C   0.271226  -1.271656  -0.128748      5.000
  C   1.032006  -0.055054  -0.938853      6.000
  C   1.421284   1.075950  -0.123426      7.000
  C   0.820580   1.647169   0.978067      1.000
  C  -0.244185   1.167847   1.784182      2.000
  C  -0.824028  -0.098619   1.829688      3.000
  C  -0.381266  -1.206942   1.107471      4.000
  C  -0.341690  -0.439358  -1.339971      8.000
  H   0.678351  -2.237728  -0.423266     13.000
  H   1.837745  -0.476879  -1.544254     14.000
  H   2.380570   1.514483  -0.414435     15.000
  H   1.278296   2.573586   1.331625      9.000
  H  -0.567351   1.855452   2.570076     10.000
  H  -1.537930  -0.286535   2.632793     11.000
  H  -0.603223  -2.185019   1.547765     12.000
  C  -1.474884   0.541892  -1.166574     16.000
  C  -0.570174  -1.424838  -2.480577     17.000
 17
 Energy -388.18312966    Point 102   Kin_en 284.733
  C   0.335560  -1.268127  -0.092927      5.000
  C   1.030429  -0.085234  -0.926175      6.000
  C   1.423403   1.078851  -0.130477      7.000
  C   0.841585   1.641184   0.978464      1.000
  C  -0.241096   1.171241   1.778480      2.000
  C  -0.857553  -0.072270   1.791801      3.000
  C  -0.407736  -1.193217   1.082355      4.000
  C  -0.338251  -0.432374  -1.350190      8.000
  H   0.710582  -2.246717  -0.386338     13.000
  H   1.836069  -0.501006  -1.536676     14.000
  H   2.370510   1.525302  -0.446662     15.000
  H   1.307991   2.560870   1.337824      9.000
  H  -0.564902   1.862610   2.560775     10.000
  H  -1.617705  -0.244933   2.554378     11.000
  H  -0.694539  -2.166039   1.495570     12.000
  C  -1.448283   0.569416  -1.181091     16.000
  C  -0.619242  -1.475827  -2.418784     17.000
 17
 Energy -388.17820772    Point 103   Kin_en 278.527
  C   0.395647  -1.271130  -0.055051      5.000
  C   1.033307  -0.114266  -0.908543      6.000
  C   1.423468   1.085659  -0.139329      7.000
  C   0.857904   1.642152   0.975679      1.000
  C  -0.233822   1.174337   1.774404      2.000
  C  -0.885070  -0.045976   1.750807      3.000
  C  -0.441638  -1.179702   1.047059      4.000
  C  -0.336450  -0.433750  -1.351444      8.000
  H   0.744491  -2.260231  -0.344293     13.000
  H   1.836816  -0.520789  -1.528697     14.000
  H   2.353154   1.545558  -0.485063     15.000
  H   1.324868   2.562162   1.333026      9.000
  H  -0.555683   1.864212   2.558705     10.000
  H  -1.682512  -0.203585   2.477335     11.000
  H  -0.797736  -2.143387   1.425641     12.000
  C  -1.419994   0.593166  -1.195449     16.000
  C  -0.664069  -1.521367  -2.354733     17.000
 17
 Energy -388.17228953    Point 104   Kin_en 272.825
  C   0.448292  -1.277693  -0.019642      5.000
  C   1.042072  -0.141950  -0.885640      6.000
  C   1.423735   1.093354  -0.147211      7.000
  C   0.869031   1.650620   0.969265      1.000
  C  -0.224617   1.179285   1.770352      2.000
  C  -0.905804  -0.019259   1.708660      3.000
  C  -0.483551  -1.162042   0.998207      4.000
  C  -0.336449  -0.448479  -1.334244      8.000
  H   0.775457  -2.276630  -0.300124     13.000
  H   1.840439  -0.535742  -1.520905     14.000
  H   2.333531   1.568062  -0.523337     15.000
  H   1.329519   2.577058   1.317764      9.000
  H  -0.543472   1.863454   2.560645     10.000
  H  -1.732004  -0.163851   2.404818     11.000
  H  -0.917931  -2.111748   1.326401     12.000
  C  -1.390707   0.611236  -1.210304     16.000
  C  -0.701143  -1.562389  -2.291649     17.000
 17
 Energy -388.16480396    Point 105   Kin_en 267.842
  C   0.493816  -1.286768   0.012074      5.000
  C   1.054765  -0.168910  -0.857925      6.000
  C   1.425848   1.099751  -0.152353      7.000
  C   0.875941   1.663938   0.959561      1.000
  C  -0.217816   1.187519   1.764638      2.000
  C  -0.918962   0.007205   1.670295      3.000
  C  -0.528273  -1.137811   0.936315      4.000
  C  -0.341307  -0.475641  -1.296635      8.000
  H   0.798163  -2.295766  -0.258466     13.000
  H   1.842044  -0.548208  -1.514834     14.000
  H   2.316610   1.586045  -0.557090     15.000
  H   1.325902   2.599911   1.295612      9.000
  H  -0.535122   1.865361   2.560697     10.000
  H  -1.764498  -0.130668   2.344074     11.000
  H  -1.043376  -2.067110   1.198794     12.000
  C  -1.362116   0.624564  -1.227256     16.000
  C  -0.728791  -1.598635  -2.234419     17.000
 17
 Energy -388.15569450    Point 106   Kin_en 263.562
  C   0.531651  -1.297171   0.039724      5.000
  C   1.070191  -0.194897  -0.826060      6.000
  C   1.431287   1.104150  -0.154717      7.000
  C   0.880979   1.678593   0.947349      1.000
  C  -0.215774   1.198984   1.756188      2.000
  C  -0.926875   0.033175   1.638512      3.000
  C  -0.571150  -1.107805   0.864807      4.000
  C  -0.353861  -0.511957  -1.241709      8.000
  H   0.813035  -2.315423  -0.222139     13.000
  H   1.839786  -0.559767  -1.510724     14.000
  H   2.306120   1.596174  -0.585272     15.000
  H   1.319560   2.624230   1.270707      9.000
  H  -0.532044   1.871979   2.556348     10.000
  H  -1.780452  -0.108129   2.301318     11.000
  H  -1.153841  -2.013059   1.060279     12.000
  C  -1.333609   0.635788  -1.247793     16.000
  C  -0.749021  -1.630908  -2.185354     17.000
 17
 Energy -388.14578919    Point 107   Kin_en 259.696
  C   0.560700  -1.306155   0.061412      5.000
  C   1.091519  -0.218967  -0.789135      6.000
  C   1.440911   1.106573  -0.155403      7.000
  C   0.886582   1.691755   0.933552      1.000
  C  -0.217761   1.212887   1.745076      2.000
  C  -0.932518   0.059420   1.613640      3.000
  C  -0.610820  -1.075658   0.788030      4.000
  C  -0.378609  -0.554491  -1.174818      8.000
  H   0.823691  -2.331396  -0.194099     13.000
  H   1.837459  -0.572409  -1.504308     14.000
  H   2.302739   1.599533  -0.609100     15.000
  H   1.314906   2.645865   1.245081      9.000
  H  -0.530926   1.882965   2.548388     10.000
  H  -1.781826  -0.095473   2.279084     11.000
  H  -1.234398  -1.961571   0.937815     12.000
  C  -1.303520   0.646963  -1.272583     16.000
  C  -0.765902  -1.660382  -2.144742     17.000
 17
 Energy -388.13718980    Point 108   Kin_en 255.78
  C   0.581099  -1.309836   0.073871      5.000
  C   1.125504  -0.239394  -0.745713      6.000
  C   1.453748   1.106145  -0.156127      7.000
  C   0.893830   1.701234   0.919772      1.000
  C  -0.220816   1.228026   1.732476      2.000
  C  -0.937050   0.085285   1.595371      3.000
  C  -0.648163  -1.046260   0.712398      4.000
  C  -0.422478  -0.599385  -1.104285      8.000
  H   0.833976  -2.339467  -0.176613     13.000
  H   1.842305  -0.585907  -1.492687     14.000
  H   2.303043   1.599015  -0.631525     15.000
  H   1.314662   2.662208   1.219933      9.000
  H  -0.528154   1.897486   2.538024     10.000
  H  -1.772626  -0.086923   2.274080     11.000
  H  -1.281388  -1.925420   0.855161     12.000
  C  -1.270696   0.658132  -1.300651     16.000
  C  -0.782731  -1.686494  -2.112301     17.000
 17
 Energy -388.13352841    Point 109   Kin_en 251.443
  C   0.595382  -1.307145   0.076284      5.000
  C   1.174828  -0.254331  -0.697392      4.000
  C   1.468489   1.102050  -0.158335      3.000
  C   0.901963   1.706466   0.908543      2.000
  C  -0.221440   1.242639   1.719722      1.000
  C  -0.939891   0.107224   1.581342      7.000
  C  -0.683927  -1.022713   0.646436      6.000
  C  -0.487639  -0.639829  -1.040706      8.000
  H   0.844909  -2.339265  -0.168790     13.000
  H   1.862034  -0.597404  -1.473534     12.000
  H   2.302361   1.599610  -0.654522     11.000
  H   1.318248   2.672836   1.197860     10.000
  H  -0.522270   1.913256   2.526348      9.000
  H  -1.758220  -0.077325   2.278032     15.000
  H  -1.303429  -1.905995   0.814970     14.000
  C  -1.236628   0.667216  -1.329064     16.000
  C  -0.801563  -1.707878  -2.086474     17.000
 17
 Energy -388.13718980    Point 110   Kin_en 246.562
  C   0.604061  -1.299617   0.070064      5.000
  C   1.238756  -0.264246  -0.646485      4.000
  C   1.484568   1.095515  -0.162629      3.000
  C   0.909168   1.709066   0.900441      2.000
  C  -0.216383   1.254208   1.708581      1.000
  C  -0.939612   0.121590   1.569606      7.000
  C  -0.719202  -1.004336   0.595160      6.000
  C  -0.568606  -0.670210  -0.992320      8.000
  H   0.852908  -2.333312  -0.167377     13.000
  H   1.907541  -0.607217  -1.439817     12.000
  H   2.297488   1.607028  -0.678385     11.000
  H   1.320170   2.681427   1.178163     10.000
  H  -0.510253   1.924549   2.517872      9.000
  H  -1.739995  -0.067766   2.286373     15.000
  H  -1.313172  -1.896508   0.802699     14.000
  C  -1.203115   0.673090  -1.356084     16.000
  C  -0.826028  -1.724929  -2.064228     17.000
 17
 Energy -388.14578919    Point 111   Kin_en 241.396
  C   0.604795  -1.286663   0.054022      5.000
  C   1.312339  -0.271541  -0.595958      4.000
  C   1.503953   1.089600  -0.166886      3.000
  C   0.915214   1.710616   0.894418      2.000
  C  -0.206197   1.260891   1.699181      1.000
  C  -0.936290   0.128208   1.559423      7.000
  C  -0.752330  -0.990336   0.561543      6.000
  C  -0.654606  -0.689939  -0.962536      8.000
  H   0.852742  -2.322746  -0.170975     13.000
  H   1.990477  -0.620437  -1.379876     12.000
  H   2.295121   1.620361  -0.696489     11.000
  H   1.318172   2.689617   1.161940     10.000
  H  -0.492421   1.927617   2.514283      9.000
  H  -1.718388  -0.061940   2.296830     15.000
  H  -1.314210  -1.893818   0.808181     14.000
  C  -1.174180   0.675724  -1.379091     16.000
  C  -0.858900  -1.738988  -2.044897     17.000
 17
 Energy -388.15569450    Point 112   Kin_en 236.397
  C   0.597121  -1.268703   0.026916      5.000
  C   1.387540  -0.278934  -0.546136      4.000
  C   1.528216   1.086702  -0.168983      3.000
  C   0.919821   1.713068   0.887495      2.000
  C  -0.192913   1.262506   1.691193      1.000
  C  -0.930174   0.129130   1.552342      7.000
  C  -0.782928  -0.978847   0.542728      6.000
  C  -0.733667  -0.701693  -0.947901      8.000
  H   0.840713  -2.309246  -0.179287     13.000
  H   2.108081  -0.642987  -1.284722     12.000
  H   2.305552   1.633709  -0.702280     11.000
  H   1.312030   2.698762   1.147847     10.000
  H  -0.469940   1.922544   2.515054      9.000
  H  -1.691139  -0.062963   2.311838     15.000
  H  -1.309470  -1.894865   0.821713     14.000
  C  -1.151001   0.676570  -1.398991     16.000
  C  -0.902020  -1.752756  -2.027528     17.000
 17
 Energy -388.16480396    Point 113   Kin_en 231.826
  C   0.584321  -1.248294  -0.010120      5.000
  C   1.456848  -0.286995  -0.495583      4.000
  C   1.558264   1.085574  -0.166647      3.000
  C   0.922468   1.717910   0.877173      2.000
  C  -0.179395   1.261809   1.682966      1.000
  C  -0.921886   0.126978   1.549100      7.000
  C  -0.811676  -0.967327   0.531561      6.000
  C  -0.797789  -0.708555  -0.940994      8.000
  H   0.819444  -2.294622  -0.194006     13.000
  H   2.235970  -0.673615  -1.159899     12.000
  H   2.336226   1.639838  -0.691515     11.000
  H   1.302119   2.710110   1.132646     10.000
  H  -0.445452   1.914080   2.516751      9.000
  H  -1.657232  -0.070768   2.332626     15.000
  H  -1.302617  -1.895672   0.835465     14.000
  C  -1.132063   0.676114  -1.418767     16.000
  C  -0.955275  -1.768860  -2.009472     17.000
 17
 Energy -388.17228953    Point 114   Kin_en 227.656
  C   0.568642  -1.227771  -0.055475      5.000
  C   1.515227  -0.294898  -0.444637      4.000
  C   1.594280   1.083510  -0.156999      3.000
  C   0.922743   1.725940   0.863124      2.000
  C  -0.168190   1.262472   1.672457      1.000
  C  -0.911348   0.123548   1.548643      7.000
  C  -0.839062  -0.954683   0.524381      6.000
  C  -0.841433  -0.712566  -0.937432      8.000
  H   0.793351  -2.279892  -0.217119     13.000
  H   2.348611  -0.707281  -1.022348     12.000
  H   2.386521   1.635619  -0.662646     11.000
  H   1.288290   2.724994   1.113305     10.000
  H  -0.423139   1.907860   2.515229      9.000
  H  -1.616528  -0.083801   2.357515     15.000
  H  -1.299020  -1.893670   0.844956     14.000
  C  -1.114129   0.673627  -1.441336     16.000
  C  -1.018838  -1.788682  -1.986681     17.000
 17
 Energy -388.17820772    Point 115   Kin_en 223.894
  C   0.550876  -1.208349  -0.108475      5.000
  C   1.560184  -0.301747  -0.397299      4.000
  C   1.633644   1.078370  -0.138251      3.000
  C   0.920840   1.736427   0.848013      2.000
  C  -0.162172   1.268222   1.658290      1.000
  C  -0.899479   0.120476   1.549436      7.000
  C  -0.864914  -0.941096   0.522009      6.000
  C  -0.860411  -0.715984  -0.935307      8.000
  H   0.765879  -2.265695  -0.247998     13.000
  H   2.432842  -0.739310  -0.893107     12.000
  H   2.449775   1.621651  -0.615087     11.000
  H   1.273162   2.742023   1.091515     10.000
  H  -0.410164   1.910269   2.505904      9.000
  H  -1.572223  -0.097438   2.383273     15.000
  H  -1.300314  -1.888204   0.852001     14.000
  C  -1.093571   0.667718  -1.468191     16.000
  C  -1.090617  -1.811815  -1.956577     17.000
 17
 Energy -388.18312966    Point 116   Kin_en 220.624
  C   0.533205  -1.190158  -0.169105      5.000
  C   1.593349  -0.307165  -0.358321      4.000
  C   1.671735   1.069548  -0.111972      3.000
  C   0.917496   1.747077   0.835968      2.000
  C  -0.163846   1.281354   1.640253      1.000
  C  -0.889244   0.119416   1.549839      7.000
  C  -0.889361  -0.926858   0.526136      6.000
  C  -0.855839  -0.721553  -0.933420      8.000
  H   0.740977  -2.252647  -0.280099     13.000
  H   2.491705  -0.767811  -0.782763     12.000
  H   2.517390   1.600569  -0.550209     11.000
  H   1.262178   2.756724   1.073958     10.000
  H  -0.413432   1.925906   2.485684      9.000
  H  -1.531691  -0.106055   2.405836     15.000
  H  -1.307042  -1.879497   0.861778     14.000
  C  -1.068308   0.657054  -1.497909     16.000
  C  -1.164979  -1.835981  -1.919385     17.000
 17
 Energy -388.18742055    Point 117   Kin_en 217.549
  C   0.521776  -1.174806  -0.234155      5.000
  C   1.619706  -0.312301  -0.328006      4.000
  C   1.706189   1.057812  -0.080361      3.000
  C   0.913626   1.756721   0.828260      2.000
  C  -0.173132   1.301184   1.618665      1.000
  C  -0.883652   0.121933   1.548303      7.000
  C  -0.911248  -0.912233   0.535699      6.000
  C  -0.838027  -0.729788  -0.932968      8.000
  H   0.723439  -2.242278  -0.309136     13.000
  H   2.536792  -0.792991  -0.685282     12.000
  H   2.584183   1.574832  -0.469931     11.000
  H   1.257150   2.767483   1.063245     10.000
  H  -0.434336   1.954564   2.453904      9.000
  H  -1.502198  -0.105549   2.421733     15.000
  H  -1.316304  -1.868648   0.874606     14.000
  C  -1.040010   0.641953  -1.528432     16.000
  C  -1.238466  -1.858601  -1.876255     17.000
 17
 Energy -388.19088450    Point 118   Kin_en 213.837
  C   0.523183  -1.166659  -0.293839      5.000
  C   1.643222  -0.319769  -0.302715      4.000
  C   1.738002   1.043686  -0.042100      3.000
  C   0.910570   1.766546   0.822647      2.000
  C  -0.189158   1.326429   1.593048      1.000
  C  -0.883143   0.130298   1.542857      7.000
  C  -0.924644  -0.897708   0.544409      6.000
  C  -0.821690  -0.738681  -0.935807      8.000
  H   0.718435  -2.237810  -0.337909     13.000
  H   2.574496  -0.816081  -0.596558     12.000
  H   2.647968   1.544661  -0.376602     11.000
  H   1.254085   2.778250   1.053016     10.000
  H  -0.470461   1.994111   2.410403      9.000
  H  -1.488622  -0.094209   2.426609     15.000
  H  -1.322266  -1.856024   0.885832     14.000
  C  -1.012095   0.624176  -1.561054     16.000
  C  -1.312935  -1.878583  -1.826409     17.000
 17
 Energy -388.19327250    Point 119   Kin_en 209.234
  C   0.533988  -1.166348  -0.341373      5.000
  C   1.664092  -0.329781  -0.280210      4.000
  C   1.767314   1.027393   0.003190      3.000
  C   0.909184   1.776841   0.818420      2.000
  C  -0.210984   1.356196   1.562877      1.000
  C  -0.886207   0.145291   1.531291      7.000
  C  -0.923566  -0.884920   0.548543      6.000
  C  -0.810449  -0.747624  -0.940915      8.000
  H   0.725027  -2.239532  -0.368061     13.000
  H   2.604175  -0.836572  -0.523941     12.000
  H   2.705147   1.511015  -0.276757     11.000
  H   1.252719   2.790108   1.040995     10.000
  H  -0.519021   2.041818   2.355471      9.000
  H  -1.491465  -0.073062   2.417044     15.000
  H  -1.317495  -1.843080   0.894029     14.000
  C  -0.988244   0.604526  -1.596337     16.000
  C  -1.387632  -1.895014  -1.770663     17.000
 17
 Energy -388.19461522    Point 120   Kin_en 204.368
  C   0.546845  -1.169362  -0.378625      5.000
  C   1.681605  -0.339791  -0.260577      4.000
  C   1.793111   1.010021   0.051286      3.000
  C   0.910326   1.785598   0.817702      2.000
  C  -0.236763   1.388780   1.528329      1.000
  C  -0.892272   0.164982   1.513260      7.000
  C  -0.908228  -0.876025   0.550672      6.000
  C  -0.800322  -0.757481  -0.947246      8.000
  H   0.737252  -2.243428  -0.397654     13.000
  H   2.626211  -0.853852  -0.468815     12.000
  H   2.754160   1.475759  -0.176527     11.000
  H   1.257249   2.798826   1.034904     10.000
  H  -0.576450   2.094258   2.289909      9.000
  H  -1.508610  -0.044194   2.393856     15.000
  H  -1.298347  -1.832904   0.903111     14.000
  C  -0.973065   0.583257  -1.629168     16.000
  C  -1.456461  -1.907093  -1.714168     17.000
 17
 Energy -388.19503658    Point 121   Kin_en 199.93
  C   0.559921  -1.170805  -0.409488      6.000
  C   1.698621  -0.348953  -0.242291      7.000
  C   1.819465   0.991428   0.102204      1.000
  C   0.914665   1.792081   0.818735      2.000
  C  -0.266534   1.423089   1.482870      3.000
  C  -0.901369   0.187311   1.486342      4.000
  C  -0.880208  -0.874864   0.553582      5.000
  C  -0.792285  -0.768198  -0.952582      8.000
  H   0.752463  -2.244999  -0.429630     14.000
  H   2.644359  -0.870707  -0.423942     15.000
  H   2.800989   1.437733  -0.071736      9.000
  H   1.267657   2.803180   1.035953     10.000
  H  -0.643242   2.150820   2.204865     11.000
  H  -1.537948  -0.007561   2.356125     12.000
  H  -1.260356  -1.831107   0.917316     13.000
  C  -0.981851   0.565519  -1.643507     16.000
  C  -1.508375  -1.917324  -1.665254     17.000
 17
 Energy -388.19461522    Point 122   Kin_en 193.906
  C   0.571122  -1.177306  -0.428142      6.000
  C   1.712318  -0.360109  -0.227178      7.000
  C   1.830732   0.975178   0.134188      1.000
  C   0.904436   1.794911   0.803729      2.000
  C  -0.297419   1.444083   1.436725      3.000
  C  -0.903675   0.193837   1.468656      4.000
  C  -0.843795  -0.884658   0.561424      5.000
  C  -0.781508  -0.770822  -0.952180      8.000
  H   0.764140  -2.251562  -0.455424     14.000
  H   2.659809  -0.884822  -0.388477     15.000
  H   2.822780   1.412022  -0.000337      9.000
  H   1.253902   2.809733   1.009085     10.000
  H  -0.706882   2.191781   2.119159     11.000
  H  -1.554104   0.008547   2.330349     12.000
  H  -1.215963  -1.842175   0.928691     13.000
  C  -0.974072   0.567138  -1.634249     16.000
  C  -1.556069  -1.903487  -1.628508     17.000
 17
 Energy -388.19327250    Point 123   Kin_en 186.116
  C   0.578332  -1.187282  -0.439148      6.000
  C   1.722772  -0.369015  -0.217283      7.000
  C   1.838322   0.958987   0.165174      1.000
  C   0.894313   1.795527   0.793652      2.000
  C  -0.330945   1.464823   1.386981      3.000
  C  -0.907377   0.201074   1.446622      4.000
  C  -0.796214  -0.895373   0.571310      5.000
  C  -0.768715  -0.774489  -0.954114      8.000
  H   0.773402  -2.261366  -0.469141     14.000
  H   2.671614  -0.894184  -0.367174     15.000
  H   2.838657   1.387055   0.068956      9.000
  H   1.243645   2.811722   0.992596     10.000
  H  -0.776923   2.231482   2.023478     11.000
  H  -1.581124   0.026179   2.292478     12.000
  H  -1.166902  -1.851733   0.941310     13.000
  C  -0.945101   0.564363  -1.636657     16.000
  C  -1.621527  -1.880323  -1.576986     17.000
 17
 Energy -388.19088450    Point 124   Kin_en 177.833
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  C   1.729892  -0.372650  -0.214327      7.000
  C   1.844647   0.945308   0.191483      1.000
  C   0.886163   1.793631   0.790045      2.000
  C  -0.361585   1.480361   1.337719      3.000
  C  -0.912662   0.205484   1.420877      4.000
  C  -0.740555  -0.910540   0.586216      5.000
  C  -0.757054  -0.777669  -0.958466      8.000
  H   0.777936  -2.269276  -0.472341     14.000
  H   2.678377  -0.897073  -0.367236     15.000
  H   2.850278   1.366642   0.126769      9.000
  H   1.235954   2.809987   0.988248     10.000
  H  -0.845463   2.262858   1.924631     11.000
  H  -1.620880   0.043464   2.240706     12.000
  H  -1.119410  -1.862670   0.956823     13.000
  C  -0.911740   0.559991  -1.644980     16.000
  C  -1.687355  -1.850031  -1.522778     17.000
 17
 Energy -388.18742055    Point 125   Kin_en 169.712
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  C   1.734369  -0.369947  -0.219212      7.000
  C   1.850768   0.934294   0.211868      1.000
  C   0.879466   1.790397   0.792348      2.000
  C  -0.385711   1.488695   1.292872      3.000
  C  -0.920432   0.204125   1.392731      4.000
  C  -0.678899  -0.932765   0.613429      5.000
  C  -0.746095  -0.779506  -0.970062      8.000
  H   0.775617  -2.272659  -0.472101     14.000
  H   2.679908  -0.892844  -0.391729     15.000
  H   2.859160   1.351617   0.170140      9.000
  H   1.227302   2.807524   0.990668     10.000
  H  -0.907342   2.282936   1.828623     11.000
  H  -1.672606   0.058244   2.175491     12.000
  H  -1.078884  -1.877277   0.979070     13.000
  C  -0.879926   0.557517  -1.656723     16.000
  C  -1.747530  -1.814353  -1.470641     17.000
 17
 Energy -388.18312966    Point 126   Kin_en 161.923
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  C   1.738518  -0.362245  -0.230986      7.000
  C   1.857215   0.926632   0.226385      1.000
  C   0.874309   1.785593   0.800103      2.000
  C  -0.404620   1.490405   1.251457      3.000
  C  -0.933530   0.197911   1.360464      4.000
  C  -0.618397  -0.959474   0.652975      5.000
  C  -0.737426  -0.779786  -0.986160      8.000
  H   0.771261  -2.272532  -0.473587     14.000
  H   2.679364  -0.880597  -0.436954     15.000
  H   2.865924   1.343952   0.197327      9.000
  H   1.218316   2.803470   1.001128     10.000
  H  -0.959419   2.292028   1.740095     11.000
  H  -1.731580   0.069731   2.099430     12.000
  H  -1.044267  -1.895418   1.009365     13.000
  C  -0.849565   0.556480  -1.668922     16.000
  C  -1.800059  -1.775351  -1.421253     17.000
 17
 Energy -388.17820772    Point 127   Kin_en 154.18
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  C   1.743638  -0.351933  -0.245354      7.000
  C   1.864405   0.923783   0.235012      1.000
  C   0.871718   1.778707   0.811517      2.000
  C  -0.420770   1.487038   1.209321      3.000
  C  -0.954896   0.190770   1.317138      4.000
  C  -0.565312  -0.986222   0.695074      5.000
  C  -0.733428  -0.778274  -0.992024      8.000
  H   0.771976  -2.271451  -0.476021     14.000
  H   2.679077  -0.861384  -0.491871     15.000
  H   2.871133   1.345565   0.207265      9.000
  H   1.210979   2.795833   1.023665     10.000
  H  -1.002238   2.293256   1.657099     11.000
  H  -1.801545   0.081155   2.002697     12.000
  H  -1.011415  -1.914729   1.045134     13.000
  C  -0.819029   0.553328  -1.679390     16.000
  C  -1.844744  -1.735864  -1.372593     17.000
 17
 Energy -388.17228953    Point 128   Kin_en 146.522
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  C   1.749697  -0.340860  -0.257856      7.000
  C   1.872341   0.925963   0.236996      1.000
  C   0.871613   1.771347   0.823363      2.000
  C  -0.432482   1.479732   1.167786      3.000
  C  -0.982379   0.184148   1.257617      4.000
  C  -0.520953  -1.011882   0.733862      5.000
  C  -0.736338  -0.772815  -0.977292      8.000
  H   0.777858  -2.269823  -0.479823     14.000
  H   2.678707  -0.839214  -0.546182     15.000
  H   2.875092   1.356046   0.200839      9.000
  H   1.204767   2.786611   1.052647     10.000
  H  -1.035152   2.287770   1.582531     11.000
  H  -1.884121   0.093297   1.871577     12.000
  H  -0.983488  -1.932981   1.082030     13.000
  C  -0.790037   0.547000  -1.687940     16.000
  C  -1.880587  -1.699998  -1.325790     17.000
 17
 Energy -388.16480396    Point 129   Kin_en 139.244
  C   0.545412  -1.209723  -0.340871      6.000
  C   1.756544  -0.330735  -0.266216      7.000
  C   1.880256   0.931066   0.233394      1.000
  C   0.872217   1.766059   0.831785      2.000
  C  -0.437954   1.470554   1.131412      3.000
  C  -1.009752   0.177179   1.182954      4.000
  C  -0.484568  -1.036638   0.768341      5.000
  C  -0.748217  -0.760533  -0.941141      8.000
  H   0.782845  -2.266890  -0.486562     14.000
  H   2.677727  -0.819238  -0.592619     15.000
  H   2.877748   1.371494   0.183665      9.000
  H   1.198120   2.779484   1.077995     10.000
  H  -1.057727   2.275966   1.525255     11.000
  H  -1.966726   0.103060   1.708817     12.000
  H  -0.964991  -1.949138   1.115377     13.000
  C  -0.764013   0.538077  -1.696571     16.000
  C  -1.907821  -1.670844  -1.283704     17.000
 17
 Energy -388.15569450    Point 130   Kin_en 132.496
  C   0.549651  -1.212080  -0.307269      6.000
  C   1.764747  -0.322812  -0.270414      7.000
  C   1.887672   0.936316   0.226436      1.000
  C   0.871785   1.763869   0.834909      2.000
  C  -0.438271   1.462251   1.102116      3.000
  C  -1.033051   0.168722   1.098032      4.000
  C  -0.455497  -1.059715   0.797753      5.000
  C  -0.769913  -0.740160  -0.888007      8.000
  H   0.784446  -2.262446  -0.496405     14.000
  H   2.676716  -0.805127  -0.628862     15.000
  H   2.879434   1.387411   0.162682      9.000
  H   1.191191   2.775387   1.095713     10.000
  H  -1.071561   2.258757   1.492496     11.000
  H  -2.033399   0.105973   1.536882     12.000
  H  -0.953977  -1.963774   1.142399     13.000
  C  -0.739700   0.526719  -1.707378     16.000
  C  -1.929094  -1.648768  -1.247729     17.000
 17
 Energy -388.14578919    Point 131   Kin_en 126.123
  C   0.560068  -1.214937  -0.268974      6.000
  C   1.774859  -0.317707  -0.271693      7.000
  C   1.894425   0.939711   0.218352      1.000
  C   0.869976   1.764300   0.833183      2.000
  C  -0.435294   1.457028   1.079139      3.000
  C  -1.052803   0.158082   1.008835      4.000
  C  -0.432459  -1.079952   0.819074      5.000
  C  -0.803673  -0.710799  -0.824547      8.000
  H   0.785324  -2.257460  -0.503973     14.000
  H   2.676857  -0.796688  -0.657148     15.000
  H   2.880564   1.400717   0.141931      9.000
  H   1.185696   2.773064   1.107233     10.000
  H  -1.077560   2.238298   1.485640     11.000
  H  -2.076822   0.099833   1.388468     12.000
  H  -0.944448  -1.978439   1.159891     13.000
  C  -0.715228   0.512504  -1.721332     16.000
  C  -1.947909  -1.632472  -1.218227     17.000
 17
 Energy -388.13718980    Point 132   Kin_en 119.885
  C   0.583372  -1.220585  -0.223620      6.000
  C   1.785430  -0.315830  -0.271675      7.000
  C   1.899875   0.940747   0.211144      1.000
  C   0.867959   1.765994   0.828369      2.000
  C  -0.430653   1.455076   1.061996      3.000
  C  -1.071931   0.146290   0.922957      4.000
  C  -0.412775  -1.096611   0.828170      5.000
  C  -0.853246  -0.671068  -0.760810      8.000
  H   0.791973  -2.254698  -0.504584     14.000
  H   2.677247  -0.791210  -0.682651     15.000
  H   2.881237   1.409672   0.123374      9.000
  H   1.183314   2.771231   1.114006     10.000
  H  -1.075734   2.218307   1.497703     11.000
  H  -2.099278   0.086582   1.290749     12.000
  H  -0.930244  -1.993915   1.165659     13.000
  C  -0.690029   0.494675  -1.737428     16.000
  C  -1.965947  -1.620128  -1.195401     17.000
 17
 Energy -388.13352841    Point 133   Kin_en 113.743
  C   0.622725  -1.230366  -0.172267      4.000
  C   1.794819  -0.317714  -0.271524      3.000
  C   1.903420   0.940944   0.206477      2.000
  C   0.867312   1.766894   0.822486      1.000
  C  -0.426629   1.453038   1.049858      7.000
  C  -1.091988   0.136525   0.848823      6.000
  C  -0.393942  -1.110381   0.825100      5.000
  C  -0.917297  -0.621544  -0.708865      8.000
  H   0.812432  -2.256245  -0.494646     12.000
  H   2.677402  -0.784203  -0.710324     11.000
  H   2.881076   1.415750   0.108416     10.000
  H   1.183724   2.768879   1.117072      9.000
  H  -1.067849   2.201245   1.516894     15.000
  H  -2.107755   0.071532   1.244255     14.000
  H  -0.910133  -2.009265   1.161478     13.000
  C  -0.666198   0.473639  -1.752906     16.000
  C  -1.983558  -1.609261  -1.178349     17.000
 17
 Energy -388.13718980    Point 134   Kin_en 107.714
  C   0.677173  -1.245049  -0.116511      4.000
  C   1.803411  -0.322656  -0.272295      3.000
  C   1.904802   0.942675   0.203417      2.000
  C   0.868989   1.764701   0.818411      1.000
  C  -0.424864   1.447037   1.042540      7.000
  C  -1.112873   0.132226   0.790056      6.000
  C  -0.376484  -1.121238   0.812334      5.000
  C  -0.989226  -0.566491  -0.676546      8.000
  H   0.855796  -2.265456  -0.464566     12.000
  H   2.678570  -0.770635  -0.743359     11.000
  H   2.878236   1.424105   0.093007     10.000
  H   1.185954   2.763492   1.122741      9.000
  H  -1.056379   2.185460   1.538669     15.000
  H  -2.109264   0.058500   1.230069     14.000
  H  -0.888082  -2.021455   1.151017     13.000
  C  -0.645438   0.450005  -1.766466     16.000
  C  -2.003205  -1.596608  -1.164799     17.000
 17
 Energy -388.14578919    Point 135   Kin_en 101.981
  C   0.741006  -1.264355  -0.058753      4.000
  C   1.814948  -0.329307  -0.272900      3.000
  C   1.904882   0.946121   0.200212      2.000
  C   0.871737   1.758696   0.816482      1.000
  C  -0.425353   1.436830   1.038977      7.000
  C  -1.132578   0.134286   0.749220      6.000
  C  -0.362305  -1.127588   0.788338      5.000
  C  -1.061181  -0.513485  -0.664250      8.000
  H   0.928948  -2.286716  -0.398726     12.000
  H   2.685831  -0.752476  -0.773523     11.000
  H   2.872425   1.437018   0.076649     10.000
  H   1.188088   2.753855   1.133376      9.000
  H  -1.043999   2.168474   1.562022     15.000
  H  -2.105815   0.046649   1.237021     14.000
  H  -0.869140  -2.026677   1.135222     13.000
  C  -0.630210   0.427051  -1.776980     16.000
  C  -2.028025  -1.580801  -1.153939     17.000
 17
 Energy -388.15569450    Point 136   Kin_en 96.7235
  C   0.806357  -1.284961  -0.000206      4.000
  C   1.832459  -0.336166  -0.272047      3.000
  C   1.904372   0.950847   0.193841      2.000
  C   0.874020   1.749514   0.816433      1.000
  C  -0.426669   1.424325   1.039671      7.000
  C  -1.150123   0.141759   0.723043      6.000
  C  -0.352569  -1.130123   0.751932      5.000
  C  -1.125392  -0.469079  -0.665295      8.000
  H   1.027390  -2.317213  -0.287994     12.000
  H   2.704007  -0.736467  -0.789766     11.000
  H   2.864236   1.454323   0.058267     10.000
  H   1.189500   2.740013   1.148883      9.000
  H  -1.030581   2.148077   1.591281     15.000
  H  -2.098981   0.034538   1.254402     14.000
  H  -0.857687  -2.023716   1.113779     13.000
  C  -0.620309   0.406172  -1.786048     16.000
  C  -2.061113  -1.561432  -1.144729     17.000
 17
 Energy -388.16480396    Point 137   Kin_en 91.959
  C   0.867332  -1.301821   0.058059      4.000
  C   1.856188  -0.343174  -0.266884      3.000
  C   1.903458   0.956636   0.182451      2.000
  C   0.875158   1.739087   0.816330      1.000
  C  -0.427625   1.411076   1.044850      7.000
  C  -1.165474   0.152343   0.703960      6.000
  C  -0.346572  -1.132402   0.705212      5.000
  C  -1.176606  -0.435458  -0.670791      8.000
  H   1.133048  -2.343886  -0.145211     12.000
  H   2.734968  -0.728954  -0.783451     11.000
  H   2.854286   1.474731   0.036280     10.000
  H   1.190725   2.723861   1.165729      9.000
  H  -1.015284   2.123199   1.629045     15.000
  H  -2.090196   0.022037   1.272391     14.000
  H  -0.853532  -2.017010   1.085159     13.000
  C  -0.614323   0.386446  -1.795791     16.000
  C  -2.103615  -1.538048  -1.135169     17.000
 17
 Energy -388.17228953    Point 138   Kin_en 87.5935
  C   0.920563  -1.311597   0.113392      4.000
  C   1.885035  -0.350291  -0.253593      3.000
  C   1.902139   0.964091   0.166448      2.000
  C   0.874995   1.729599   0.813699      1.000
  C  -0.427422   1.396729   1.053839      7.000
  C  -1.178925   0.164491   0.688112      6.000
  C  -0.343977  -1.136994   0.650212      5.000
  C  -1.211018  -0.414308  -0.675517      8.000
  H   1.227706  -2.356720   0.005131     12.000
  H   2.776925  -0.729929  -0.752151     11.000
  H   2.842745   1.497815   0.009215     10.000
  H   1.191218   2.708483   1.179183      9.000
  H  -0.997577   2.092479   1.674644     15.000
  H  -2.082759   0.010588   1.284286     14.000
  H  -0.854342  -2.011810   1.047459     13.000
  C  -0.610292   0.365346  -1.807367     16.000
  C  -2.155766  -1.508764  -1.122772     17.000
 17
 Energy -388.17820772    Point 139   Kin_en 83.6598
  C   0.963893  -1.314566   0.160935      4.000
  C   1.915914  -0.356486  -0.230171      3.000
  C   1.900455   0.973759   0.149372      2.000
  C   0.873478   1.723918   0.806076      1.000
  C  -0.425952   1.381537   1.065011      7.000
  C  -1.190459   0.178159   0.676237      6.000
  C  -0.345036  -1.145015   0.587562      5.000
  C  -1.226299  -0.407839  -0.676459      8.000
  H   1.301053  -2.356036   0.138931     12.000
  H   2.825505  -0.734749  -0.697249     11.000
  H   2.831054   1.521781  -0.018877     10.000
  H   1.188900   2.699145   1.182391      9.000
  H  -0.977411   2.058208   1.723315     15.000
  H  -2.077569   0.001995   1.290634     14.000
  H  -0.858156  -2.010677   1.001097     13.000
  C  -0.606110   0.340138  -1.820513     16.000
  C  -2.215426  -1.472679  -1.106082     17.000
 17
 Energy -388.18312966    Point 140   Kin_en 80.2814
  C   0.997645  -1.314328   0.196851      4.000
  C   1.944595  -0.360902  -0.198669      3.000
  C   1.898313   0.985268   0.136289      2.000
  C   0.870441   1.724594   0.791993      1.000
  C  -0.424348   1.367458   1.075641      7.000
  C  -1.200137   0.194356   0.669886      6.000
  C  -0.348437  -1.157606   0.517609      5.000
  C  -1.224695  -0.415835  -0.671995      8.000
  H   1.354195  -2.348613   0.247016     12.000
  H   2.875465  -0.738440  -0.623065     11.000
  H   2.821921   1.543141  -0.038518     10.000
  H   1.181474   2.700923   1.169528      9.000
  H  -0.957004   2.026260   1.767423     15.000
  H  -2.074725  -0.000543   1.295778     14.000
  H  -0.862094  -2.012807   0.952533     13.000
  C  -0.600521   0.309919  -1.833047     16.000
  C  -2.277289  -1.431180  -1.085227     17.000
 17
 Energy -388.18742055    Point 141   Kin_en 77.2746
  C   1.024704  -1.314945   0.222411      4.000
  C   1.969339  -0.363207  -0.162136      3.000
  C   1.895974   0.997735   0.128855      2.000
  C   0.865747   1.731312   0.772122      1.000
  C  -0.423906   1.356492   1.083136      7.000
  C  -1.207220   0.211780   0.668792      6.000
  C  -0.349956  -1.177555   0.445131      5.000
  C  -1.214585  -0.432837  -0.665389      8.000
  H   1.396224  -2.338932   0.337219     12.000
  H   2.923860  -0.738135  -0.533981     11.000
  H   2.816320   1.560783  -0.046664     10.000
  H   1.167888   2.714247   1.139962      9.000
  H  -0.939537   2.001799   1.800724     15.000
  H  -2.072519   0.000827   1.301578     14.000
  H  -0.862838  -2.019705   0.907217     13.000
  C  -0.594551   0.277075  -1.843792     16.000
  C  -2.337553  -1.385026  -1.061168     17.000
 17
 Energy -388.19088450    Point 142   Kin_en 73.9824
  C   1.047390  -1.318558   0.241753      4.000
  C   1.991418  -0.362659  -0.120161      3.000
  C   1.894699   1.010471   0.125034      2.000
  C   0.858849   1.742469   0.747780      1.000
  C  -0.423972   1.348676   1.085656      7.000
  C  -1.207994   0.222795   0.669581      6.000
  C  -0.345404  -1.206876   0.381183      5.000
  C  -1.206358  -0.449719  -0.662580      8.000
  H   1.432494  -2.329584   0.413397     12.000
  H   2.968835  -0.733076  -0.433771     11.000
  H   2.812437   1.577278  -0.051328     10.000
  H   1.148026   2.736280   1.096662      9.000
  H  -0.928537   1.985376   1.819177     15.000
  H  -2.066872  -0.001237   1.306121     14.000
  H  -0.857753  -2.038515   0.864200     13.000
  C  -0.590491   0.245069  -1.855285     16.000
  C  -2.396795  -1.332158  -1.034102     17.000
 17
 Energy -388.19327250    Point 143   Kin_en 70.2062
  C   1.066032  -1.324435   0.256753      4.000
  C   2.011108  -0.359367  -0.072437      3.000
  C   1.895237   1.022829   0.124463      2.000
  C   0.849749   1.756878   0.719495      1.000
  C  -0.423261   1.342603   1.081479      7.000
  C  -1.199151   0.221006   0.670934      6.000
  C  -0.336904  -1.240635   0.330709      5.000
  C  -1.202342  -0.463391  -0.663877      8.000
  H   1.461955  -2.323615   0.468608     12.000
  H   3.007394  -0.724400  -0.329256     11.000
  H   2.810455   1.592490  -0.054782     10.000
  H   1.122196   2.764201   1.042363      9.000
  H  -0.925667   1.975002   1.820554     15.000
  H  -2.053020  -0.012849   1.310331     14.000
  H  -0.847768  -2.069603   0.821383     13.000
  C  -0.590782   0.216567  -1.869344     16.000
  C  -2.453965  -1.272941  -1.004754     17.000
 17
 Energy -388.19461522    Point 144   Kin_en 66.4513
  C   1.081014  -1.330761   0.267650      4.000
  C   2.027621  -0.355340  -0.022475      3.000
  C   1.897701   1.033288   0.129360      2.000
  C   0.839425   1.773116   0.687012      1.000
  C  -0.422254   1.338107   1.069810      7.000
  C  -1.181758   0.207643   0.675181      6.000
  C  -0.328199  -1.272097   0.289586      5.000
  C  -1.199930  -0.476437  -0.666891      8.000
  H   1.484031  -2.321476   0.504219     12.000
  H   3.038448  -0.715147  -0.225436     11.000
  H   2.812689   1.603603  -0.048698     10.000
  H   1.092064   2.795285   0.977586      9.000
  H  -0.930130   1.971234   1.804855     15.000
  H  -2.029704  -0.034005   1.319088     14.000
  H  -0.835781  -2.104545   0.779099     13.000
  C  -0.597865   0.195140  -1.883006     16.000
  C  -2.504743  -1.213018  -0.975453     17.000
 17
 Energy -388.19503658    Point 145   Kin_en 63.2602
  C   1.094233  -1.338335   0.278030      7.000
  C   2.043779  -0.354667   0.031733      1.000
  C   1.902691   1.038875   0.137833      2.000
  C   0.827497   1.787960   0.643094      3.000
  C  -0.421910   1.334627   1.047629      4.000
  C  -1.159022   0.183985   0.685147      5.000
  C  -0.319217  -1.298393   0.253480      6.000
  C  -1.199769  -0.487232  -0.669639      8.000
  H   1.499015  -2.323904   0.531902     15.000
  H   3.065942  -0.710306  -0.115024      9.000
  H   2.819718   1.608131  -0.032806     10.000
  H   1.057585   2.826277   0.891570     11.000
  H  -0.939583   1.975863   1.769128     12.000
  H  -1.996677  -0.066131   1.338593     13.000
  H  -0.823174  -2.138589   0.734592     14.000
  C  -0.618190   0.198490  -1.887698     16.000
  C  -2.543382  -1.163685  -0.949442     17.000
 17
 Energy -388.19461522    Point 146   Kin_en 60.0823
  C   1.102862  -1.346796   0.288373      7.000
  C   2.047223  -0.353763   0.065502      1.000
  C   1.892567   1.042815   0.128120      2.000
  C   0.807259   1.796157   0.600140      3.000
  C  -0.424013   1.323710   1.038825      4.000
  C  -1.135432   0.152196   0.705291      5.000
  C  -0.313717  -1.320255   0.232481      6.000
  C  -1.192169  -0.492605  -0.669061      8.000
  H   1.511718  -2.327192   0.554342     15.000
  H   3.077133  -0.700899  -0.043448      9.000
  H   2.806458   1.614393  -0.051505     10.000
  H   1.017111   2.847769   0.806300     11.000
  H  -0.948660   1.969420   1.751362     12.000
  H  -1.966333  -0.108388   1.362507     13.000
  H  -0.816206  -2.168568   0.701410     14.000
  C  -0.611363   0.211917  -1.876849     16.000
  C  -2.566372  -1.107989  -0.939548     17.000
 17
 Energy -388.19327250    Point 147   Kin_en 56.0055
  C   1.111280  -1.353725   0.289508      7.000
  C   2.048130  -0.349599   0.096486      1.000
  C   1.880625   1.049345   0.125376      2.000
  C   0.782456   1.804545   0.557071      3.000
  C  -0.428460   1.309899   1.028136      4.000
  C  -1.103184   0.111371   0.729812      5.000
  C  -0.311019  -1.339221   0.216128      6.000
  C  -1.183460  -0.500891  -0.670538      8.000
  H   1.525491  -2.331303   0.556603     15.000
  H   3.084671  -0.686243   0.022845      9.000
  H   2.792582   1.623592  -0.055843     10.000
  H   0.966549   2.868620   0.717206     11.000
  H  -0.968530   1.960924   1.724189     12.000
  H  -1.930605  -0.156802   1.387378     13.000
  H  -0.809099  -2.195732   0.675383     14.000
  C  -0.592500   0.207633  -1.869814     16.000
  C  -2.595331  -1.030316  -0.924425     17.000
 17
 Energy -388.19088450    Point 148   Kin_en 51.8963
  C   1.119515  -1.358167   0.281777      7.000
  C   2.049055  -0.345548   0.122338      1.000
  C   1.869376   1.055978   0.130045      2.000
  C   0.756588   1.808787   0.517268      3.000
  C  -0.436433   1.293829   1.014692      4.000
  C  -1.066495   0.064767   0.761280      5.000
  C  -0.312194  -1.347858   0.207462      6.000
  C  -1.175463  -0.509301  -0.674876      8.000
  H   1.536802  -2.337455   0.536514     15.000
  H   3.090334  -0.672151   0.076851      9.000
  H   2.779775   1.634284  -0.047028     10.000
  H   0.911321   2.883216   0.629362     11.000
  H  -1.000615   1.954234   1.682153     12.000
  H  -1.896508  -0.204169   1.414107     13.000
  H  -0.803272  -2.213897   0.656750     14.000
  C  -0.571488   0.196942  -1.866932     16.000
  C  -2.620291  -0.947116  -0.908674     17.000
 17
 Energy -388.18742055    Point 149   Kin_en 48.2489
  C   1.128013  -1.360123   0.265711      7.000
  C   2.050603  -0.343206   0.142712      1.000
  C   1.859480   1.062769   0.140191      2.000
  C   0.732525   1.807165   0.483801      3.000
  C  -0.449845   1.275816   0.999247      4.000
  C  -1.027796   0.016042   0.806614      5.000
  C  -0.318247  -1.343971   0.204878      6.000
  C  -1.167994  -0.519723  -0.686285      8.000
  H   1.544485  -2.345937   0.493638     15.000
  H   3.095156  -0.661015   0.116958      9.000
  H   2.767127   1.646754  -0.033030     10.000
  H   0.855640   2.889189   0.547175     11.000
  H  -1.044989   1.950014   1.624562     12.000
  H  -1.869573  -0.245072   1.446160     13.000
  H  -0.800702  -2.222270   0.640179     14.000
  C  -0.550269   0.185203  -1.868885     16.000
  C  -2.638365  -0.864937  -0.894109     17.000
 17
 Energy -388.18312966    Point 150   Kin_en 45.1208
  C   1.137760  -1.361369   0.243303      7.000
  C   2.053564  -0.342332   0.157576      1.000
  C   1.850907   1.069050   0.155565      2.000
  C   0.709701   1.800101   0.455115      3.000
  C  -0.470520   1.257427   0.979284      4.000
  C  -0.991324  -0.028952   0.863607      5.000
  C  -0.325308  -1.333470   0.207077      6.000
  C  -1.161880  -0.529722  -0.702711      8.000
  H   1.551777  -2.356064   0.431655     15.000
  H   3.100521  -0.652338   0.141057      9.000
  H   2.754901   1.660233  -0.012137     10.000
  H   0.803106   2.886404   0.474873     11.000
  H  -1.097960   1.946303   1.554743     12.000
  H  -1.848941  -0.279368   1.485021     13.000
  H  -0.799065  -2.226530   0.622568     14.000
  C  -0.528617   0.173342  -1.872765     16.000
  C  -2.649221  -0.786266  -0.880597     17.000
 17
 Energy -388.17820772    Point 151   Kin_en 42.0812
  C   1.149004  -1.362507   0.218388      7.000
  C   2.059139  -0.341848   0.166420      1.000
  C   1.843773   1.073142   0.176400      2.000
  C   0.686350   1.787799   0.428354      3.000
  C  -0.499567   1.239086   0.947720      4.000
  C  -0.960790  -0.068809   0.920591      5.000
  C  -0.328230  -1.323784   0.214687      6.000
  C  -1.157034  -0.530948  -0.712114      8.000
  H   1.561451  -2.365224   0.359109     15.000
  H   3.107957  -0.644819   0.147383      9.000
  H   2.743669   1.674158   0.022722     10.000
  H   0.754582   2.875772   0.412340     11.000
  H  -1.162143   1.941654   1.463677     12.000
  H  -1.830558  -0.310880   1.527698     13.000
  H  -0.793952  -2.233019   0.604400     14.000
  C  -0.506801   0.160764  -1.874737     16.000
  C  -2.653785  -0.711644  -0.866779     17.000
 17
 Energy -388.17228953    Point 152   Kin_en 38.93
  C   1.161296  -1.362881   0.195093      7.000
  C   2.067393  -0.341583   0.168658      1.000
  C   1.838413   1.074941   0.200118      2.000
  C   0.664371   1.770430   0.405659      3.000
  C  -0.535257   1.217987   0.900326      4.000
  C  -0.937526  -0.105204   0.971509      5.000
  C  -0.326539  -1.316014   0.227819      6.000
  C  -1.152671  -0.516200  -0.706700      8.000
  H   1.572357  -2.371532   0.285651     15.000
  H   3.117650  -0.637814   0.137123      9.000
  H   2.733284   1.688009   0.067170     10.000
  H   0.711246   2.858632   0.363582     11.000
  H  -1.240188   1.931267   1.339238     12.000
  H  -1.816441  -0.339361   1.568385     13.000
  H  -0.785343  -2.242707   0.583856     14.000
  C  -0.486487   0.148861  -1.874482     16.000
  C  -2.653507  -0.644790  -0.852916     17.000
 17
 Energy -388.16480396    Point 153   Kin_en 35.7833
  C   1.174005  -1.362508   0.176035      7.000
  C   2.076657  -0.341639   0.165831      1.000
  C   1.834313   1.075952   0.221846      2.000
  C   0.646712   1.750334   0.390543      3.000
  C  -0.573016   1.190614   0.839323      4.000
  C  -0.921194  -0.139317   1.015758      5.000
  C  -0.321784  -1.308980   0.245197      6.000
  C  -1.148739  -0.482439  -0.686760      8.000
  H   1.582311  -2.374998   0.219656     15.000
  H   3.128032  -0.630841   0.116709      9.000
  H   2.723241   1.701436   0.110315     10.000
  H   0.674274   2.838556   0.336402     11.000
  H  -1.323456   1.907401   1.187000     12.000
  H  -1.810026  -0.363792   1.601834     13.000
  H  -0.777330  -2.252254   0.558112     14.000
  C  -0.468819   0.137982  -1.874237     16.000
  C  -2.650626  -0.589330  -0.840398     17.000
 17
 Energy -388.15569450    Point 154   Kin_en 32.773
  C   1.187091  -1.362467   0.161750      7.000
  C   2.085262  -0.342338   0.160487      1.000
  C   1.830386   1.077540   0.238566      2.000
  C   0.634193   1.730901   0.383010      3.000
  C  -0.609608   1.156242   0.769948      4.000
  C  -0.910670  -0.171233   1.052731      5.000
  C  -0.314307  -1.302412   0.265713      6.000
  C  -1.145946  -0.430708  -0.656093      8.000
  H   1.590294  -2.377464   0.164739     15.000
  H   3.137629  -0.623740   0.093555      9.000
  H   2.713529   1.713876   0.147245     10.000
  H   0.643315   2.819747   0.336058     11.000
  H  -1.399053   1.867378   1.031260     12.000
  H  -1.809987  -0.386795   1.626620     13.000
  H  -0.771259  -2.260041   0.527078     14.000
  C  -0.453413   0.126302  -1.875684     16.000
  C  -2.647703  -0.545065  -0.830201     17.000
 17
 Energy -388.14578919    Point 155   Kin_en 29.8347
  C   1.200648  -1.363968   0.151380      7.000
  C   2.092221  -0.343856   0.154781      1.000
  C   1.826131   1.080080   0.249965      2.000
  C   0.626520   1.714511   0.380630      3.000
  C  -0.644937   1.117433   0.697519      4.000
  C  -0.904186  -0.201741   1.079789      5.000
  C  -0.301615  -1.298493   0.291613      6.000
  C  -1.146627  -0.362232  -0.620513      8.000
  H   1.597348  -2.380424   0.119070     15.000
  H   3.145470  -0.616993   0.071715      9.000
  H   2.704852   1.724403   0.178683     10.000
  H   0.618795   2.804338   0.361971     11.000
  H  -1.458698   1.818517   0.903433     12.000
  H  -1.812200  -0.413802   1.642024     13.000
  H  -0.764654  -2.266016   0.497317     14.000
  C  -0.439711   0.111564  -1.879203     16.000
  C  -2.646980  -0.509569  -0.822939     17.000
 17
 Energy -388.13718980    Point 156   Kin_en 26.8255
  C   1.213055  -1.367185   0.143592      7.000
  C   2.096962  -0.345487   0.149995      1.000
  C   1.822053   1.082729   0.257102      2.000
  C   0.622676   1.702118   0.381592      3.000
  C  -0.679585   1.080005   0.627725      4.000
  C  -0.899112  -0.232586   1.093757      5.000
  C  -0.279476  -1.301785   0.327725      6.000
  C  -1.154375  -0.278066  -0.589314      8.000
  H   1.603665  -2.383683   0.077404     15.000
  H   3.150769  -0.611386   0.052758      9.000
  H   2.698177   1.731731   0.204726     10.000
  H   0.602382   2.791861   0.404778     11.000
  H  -1.500055   1.773867   0.826877     12.000
  H  -1.811750  -0.448570   1.648078     13.000
  H  -0.753510  -2.273870   0.476685     14.000
  C  -0.428252   0.092357  -1.883499     16.000
  C  -2.649022  -0.480809  -0.818689     17.000
 17
 Energy -388.13352841    Point 157   Kin_en 23.7915
  C   1.222346  -1.372194   0.137838      3.000
  C   2.100034  -0.345507   0.146619      2.000
  C   1.818710   1.083777   0.261438      1.000
  C   0.619173   1.692397   0.384645      7.000
  C  -0.711805   1.050715   0.566488      6.000
  C  -0.893454  -0.264366   1.095800      5.000
  C  -0.246368  -1.315282   0.374963      4.000
  C  -1.169911  -0.184015  -0.572440      8.000
  H   1.610539  -2.385994   0.034770     11.000
  H   3.154098  -0.605817   0.036811     10.000
  H   2.693221   1.735495   0.224438      9.000
  H   0.593595   2.780574   0.450336     15.000
  H  -1.525319   1.741163   0.798543     14.000
  H  -1.806380  -0.488614   1.647049     13.000
  H  -0.732633  -2.288115   0.472382     12.000
  C  -0.420745   0.069891  -1.886512     16.000
  C  -2.652839  -0.456460  -0.816588     17.000
 17
 Energy -388.13718980    Point 158   Kin_en 20.7972
  C   1.229067  -1.379186   0.133353      3.000
  C   2.102513  -0.342534   0.142799      2.000
  C   1.815907   1.082097   0.265814      1.000
  C   0.612520   1.683464   0.389981      7.000
  C  -0.739210   1.033232   0.515907      6.000
  C  -0.887191  -0.295029   1.088417      5.000
  C  -0.203575  -1.339350   0.432418      4.000
  C  -1.191247  -0.089732  -0.574521      8.000
  H   1.621412  -2.385805  -0.012501     11.000
  H   3.156557  -0.597325   0.017847     10.000
  H   2.688529   1.736837   0.243168      9.000
  H   0.589336   2.769274   0.493439     15.000
  H  -1.539751   1.719640   0.798432     14.000
  H  -1.796866  -0.527021   1.641137     13.000
  H  -0.695907  -2.312868   0.496847     12.000
  C  -0.418330   0.045198  -1.887447     16.000
  C  -2.658353  -0.431984  -0.815650     17.000
 17
 Energy -388.14578919    Point 159   Kin_en 17.8763
  C   1.237166  -1.388920   0.131439      3.000
  C   2.105017  -0.337521   0.137080      2.000
  C   1.812229   1.078091   0.270411      1.000
  C   0.602417   1.674746   0.396484      7.000
  C  -0.759669   1.027639   0.478493      6.000
  C  -0.881057  -0.322594   1.069517      5.000
  C  -0.155521  -1.371109   0.497000      4.000
  C  -1.216516  -0.005247  -0.592505      8.000
  H   1.639941  -2.384496  -0.054930     11.000
  H   3.159173  -0.584228  -0.005320     10.000
  H   2.682066   1.737006   0.262943      9.000
  H   0.585904   2.757625   0.533241     15.000
  H  -1.546689   1.705397   0.816224     14.000
  H  -1.784930  -0.557444   1.629365     13.000
  H  -0.638781  -2.349698   0.567338     12.000
  C  -0.420955   0.022118  -1.886665     16.000
  C  -2.667172  -0.404428  -0.816102     17.000
 17
 Energy -388.15569450    Point 160   Kin_en 15.0366
  C   1.250222  -1.401506   0.132830      3.000
  C   2.107563  -0.332133   0.127223      2.000
  C   1.806635   1.073068   0.275444      1.000
  C   0.590909   1.666838   0.405145      7.000
  C  -0.773624   1.030872   0.452196      6.000
  C  -0.876759  -0.347886   1.037859      5.000
  C  -0.106465  -1.404022   0.564555      4.000
  C  -1.242530   0.062853  -0.617516      8.000
  H   1.667278  -2.385697  -0.080021     11.000
  H   3.162216  -0.567084  -0.033117     10.000
  H   2.673134   1.736565   0.284980      9.000
  H   0.582154   2.745507   0.576019     15.000
  H  -1.549630   1.693705   0.842879     14.000
  H  -1.773770  -0.577516   1.609900     13.000
  H  -0.561994  -2.391012   0.689328     12.000
  C  -0.427399   0.001769  -1.886015     16.000
  C  -2.681239  -0.371224  -0.818420     17.000
 17
 Energy -388.16480396    Point 161   Kin_en 12.3179
  C   1.268862  -1.415975   0.139407      3.000
  C   2.109970  -0.327198   0.112078      2.000
  C   1.799328   1.068060   0.279969      1.000
  C   0.579579   1.659961   0.417525      7.000
  C  -0.783439   1.037851   0.431493      6.000
  C  -0.876024  -0.374144   0.996177      5.000
  C  -0.058263  -1.431704   0.630242      4.000
  C  -1.265246   0.113581  -0.640497      8.000
  H   1.702310  -2.391889  -0.078842     11.000
  H   3.165289  -0.547453  -0.065828     10.000
  H   2.662698   1.735333   0.307938      9.000
  H   0.577955   2.732217   0.627320     15.000
  H  -1.551169   1.680833   0.870092     14.000
  H  -1.766589  -0.592735   1.581847     13.000
  H  -0.473392  -2.422102   0.841431     12.000
  C  -0.436598  -0.016520  -1.886984     16.000
  C  -2.700741  -0.330223  -0.822403     17.000
 17
 Energy -388.17228953    Point 162   Kin_en 9.72671
  C   1.292619  -1.430311   0.154001      3.000
  C   2.112598  -0.322096   0.092155      2.000
  C   1.791128   1.063750   0.282015      1.000
  C   0.568650   1.652898   0.434378      7.000
  C  -0.790782   1.045905   0.413723      6.000
  C  -0.880145  -0.403310   0.946856      5.000
  C  -0.012056  -1.451036   0.689150      4.000
  C  -1.281838   0.145729  -0.655888      8.000
  H   1.744024  -2.401182  -0.050435     11.000
  H   3.168136  -0.526116  -0.104156     10.000
  H   2.651556   1.734077   0.327994      9.000
  H   0.572671   2.715809   0.688833     15.000
  H  -1.554012   1.666756   0.891270     14.000
  H  -1.765187  -0.609962   1.544835     13.000
  H  -0.384207  -2.434547   0.993368     12.000
  C  -0.448084  -0.035052  -1.889577     16.000
  C  -2.724394  -0.278641  -0.827255     17.000
 17
 Energy -388.17820772    Point 163   Kin_en 7.29452
  C   1.319634  -1.441477   0.177476      3.000
  C   2.116078  -0.315357   0.070809      2.000
  C   1.783481   1.061146   0.278886      1.000
  C   0.558307   1.644963   0.454665      7.000
  C  -0.795553   1.055230   0.399770      6.000
  C  -0.890074  -0.435947   0.890538      5.000
  C   0.029453  -1.462936   0.736222      4.000
  C  -1.291175   0.157730  -0.660098      8.000
  H   1.791288  -2.408478   0.001273     11.000
  H   3.171207  -0.503981  -0.143137     10.000
  H   2.640564   1.735041   0.337587      9.000
  H   0.567418   2.695849   0.756176     15.000
  H  -1.557766   1.653445   0.906378     14.000
  H  -1.769718  -0.632254   1.499934     13.000
  H  -0.305794  -2.431698   1.120838     12.000
  C  -0.461414  -0.056385  -1.892418     16.000
  C  -2.749797  -0.216030  -0.832024     17.000
 17
 Energy -388.18312966    Point 164   Kin_en 5.1168
  C   1.346428  -1.447568   0.206995      3.000
  C   2.120515  -0.305813   0.053059      2.000
  C   1.777782   1.061345   0.268670      1.000
  C   0.548816   1.637041   0.475305      7.000
  C  -0.796878   1.067284   0.390817      6.000
  C  -0.905503  -0.473353   0.827878      5.000
  C   0.063581  -1.471751   0.769034      4.000
  C  -1.294532   0.151938  -0.652285      8.000
  H   1.841800  -2.409298   0.069706     11.000
  H   3.175484  -0.482386  -0.172098     10.000
  H   2.630570   1.740691   0.329797      9.000
  H   0.563576   2.674845   0.820341     15.000
  H  -1.560025   1.645094   0.918431     14.000
  H  -1.777024  -0.658104   1.452930     13.000
  H  -0.242933  -2.422656   1.217605     12.000
  C  -0.475684  -0.080750  -1.893129     16.000
  C  -2.773498  -0.145781  -0.835759     17.000
 17
 Energy -388.18742055    Point 165   Kin_en 3.29099
  C   1.371300  -1.448677   0.239537      3.000
  C   2.125739  -0.293868   0.040889      2.000
  C   1.773878   1.064397   0.252088      1.000
  C   0.540160   1.630395   0.492939      7.000
  C  -0.794846   1.080672   0.387145      6.000
  C  -0.924170  -0.518044   0.764714      5.000
  C   0.090213  -1.481646   0.790667      4.000
  C  -1.295705   0.136014  -0.638715      8.000
  H   1.894090  -2.401864   0.149689     11.000
  H   3.181394  -0.461977  -0.187579     10.000
  H   2.621032   1.751722   0.303766      9.000
  H   0.561132   2.656171   0.873166     15.000
  H  -1.560390   1.640009   0.930048     14.000
  H  -1.784817  -0.688272   1.409769     13.000
  H  -0.190531  -2.413096   1.293996     12.000
  C  -0.490196  -0.105454  -1.891670     16.000
  C  -2.792944  -0.070735  -0.838445     17.000
 17
 Energy -388.19088450    Point 166   Kin_en 1.85074
  C   1.395941  -1.444649   0.275755      3.000
  C   2.132245  -0.281098   0.032927      2.000
  C   1.770322   1.070387   0.230712      1.000
  C   0.532381   1.624256   0.505660      7.000
  C  -0.791361   1.086296   0.388505      6.000
  C  -0.942657  -0.570007   0.712492      5.000
  C   0.110620  -1.493913   0.806259      4.000
  C  -1.298374   0.120164  -0.629559      8.000
  H   1.947052  -2.385788   0.237795     11.000
  H   3.188344  -0.442151  -0.198017     10.000
  H   2.610171   1.767962   0.263008      9.000
  H   0.556595   2.641171   0.909791     15.000
  H  -1.560320   1.629597   0.942190     14.000
  H  -1.794998  -0.729999   1.372301     13.000
  H  -0.145025  -2.406450   1.355679     12.000
  C  -0.505012  -0.127932  -1.891935     16.000
  C  -2.807388   0.010253  -0.840895     17.000
 17
 Energy -388.19327250    Point 167   Kin_en 0.814293
  C   1.420621  -1.435470   0.316555      3.000
  C   2.140265  -0.268338   0.029199      2.000
  C   1.766395   1.078969   0.205042      1.000
  C   0.525405   1.616545   0.511917      7.000
  C  -0.787596   1.077037   0.395780      6.000
  C  -0.959251  -0.622596   0.673986      5.000
  C   0.125845  -1.507237   0.817847      4.000
  C  -1.302716   0.107596  -0.626454      8.000
  H   1.997076  -2.362480   0.328572     11.000
  H   3.196245  -0.423678  -0.205410     10.000
  H   2.596731   1.788677   0.210427      9.000
  H   0.546996   2.629089   0.927683     15.000
  H  -1.559502   1.607052   0.957790     14.000
  H  -1.808503  -0.783529   1.338670     13.000
  H  -0.109374  -2.406257   1.397877     12.000
  C  -0.520800  -0.146121  -1.896783     16.000
  C  -2.816309   0.095509  -0.843287     17.000
 17
 Energy -388.19461522    Point 168   Kin_en 0.206098
  C   1.442983  -1.423529   0.359698      3.000
  C   2.149168  -0.256391   0.032114      2.000
  C   1.762268   1.088314   0.174759      1.000
  C   0.519019   1.607376   0.510182      7.000
  C  -0.783231   1.055426   0.410075      6.000
  C  -0.973486  -0.669801   0.643035      5.000
  C   0.137153  -1.520044   0.825718      4.000
  C  -1.307967   0.095708  -0.625805      8.000
  H   2.040647  -2.335506   0.419037     11.000
  H   3.206005  -0.407742  -0.201022     10.000
  H   2.580905   1.810899   0.146536      9.000
  H   0.533856   2.620429   0.925608     15.000
  H  -1.556063   1.573916   0.980973     14.000
  H  -1.822666  -0.840033   1.306473     13.000
  H  -0.084309  -2.411247   1.422891     12.000
  C  -0.537532  -0.155613  -1.904751     16.000
  C  -2.819766   0.177653  -0.844994     17.000
