 21
000
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.843964    1.037613   -0.871780
  H    2.759445   -0.510483    0.065200
  H    2.816040    1.074371    0.940857
 21
000
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.843964    1.037613   -0.871780
  H    2.759445   -0.510483    0.065200
  H    2.816040    1.074371    0.940857
 21
030
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.856873    1.428009   -0.496048
  H    2.774414   -0.381287   -0.459686
  H    2.788147    0.554474    1.091415
 21
060
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.855667    1.578583    0.024597
  H    2.799118   -0.007187   -0.849350
  H    2.764572    0.028839    0.961502
 21
090
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.840683    1.448990    0.550659
  H    2.826950    0.511566   -0.999435
  H    2.751648   -0.361710    0.585953
 21
120
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.815933    1.073959    0.941147
  H    2.850479    1.035980   -0.869690
  H    2.752823   -0.512497    0.065369
 21
150
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.788055    0.553970    1.091446
  H    2.863358    1.425568   -0.494873
  H    2.767807   -0.383133   -0.460739
 21
180
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.764496    0.028397    0.961273
  H    2.862183    1.575882    0.024536
  H    2.792572   -0.008270   -0.851379
 21
210
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.751587   -0.361984    0.585526
  H    2.847244    1.446686    0.549423
  H    2.820480    0.511627   -1.001892
 21
240
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.752792   -0.512527    0.064865
  H    2.822556    1.072586    0.939087
  H    2.844055    1.037247   -0.871964
 21
270
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.767776   -0.382904   -0.461182
  H    2.794708    0.553802    1.089157
  H    2.856979    1.427780   -0.496384
 21
300
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.792542   -0.007843   -0.851654
  H    2.771210    0.029388    0.959381
  H    2.855804    1.578552    0.024185
 21
330
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.820450    0.512146   -1.001923
  H    2.758331   -0.360153    0.584549
  H    2.840820    1.449173    0.550278
 21
360
  C    0.906403    0.625839    0.013550
  C    0.318115   -0.015700    1.262238
  C   -1.195740    0.020477    1.238434
  C   -1.743713   -0.635025   -0.012634
  C   -1.156555   -0.010330   -1.261536
  C    0.357391   -0.045776   -1.237000
  C    2.416946    0.552155    0.038345
  H    0.598785    1.709885   -0.004440
  H    0.693405    0.524445    2.169815
  H    0.667847   -1.078857    1.333420
  H   -1.596954   -0.504500    2.144058
  H   -1.544600    1.085663    1.284714
  H   -2.860031   -0.535370   -0.031189
  H   -1.503159   -1.730591    0.004745
  H   -1.528839   -0.557785   -2.166016
  H   -1.503723    1.053116   -1.344849
  H    0.760864    0.472198   -2.145523
  H    0.709213   -1.110306   -1.271393
  H    2.844009    1.037720   -0.871735
  H    2.759537   -0.510422    0.065125
  H    2.816071    1.074326    0.940918
