 21
000
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    1.565826    2.117508   -0.969772
  H    1.609756    2.156967    0.842224
  H    0.029251    1.969925   -0.022339
 21
000
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    1.565826    2.117508   -0.969772
  H    1.609756    2.156967    0.842224
  H    0.029251    1.969925   -0.022339
 21
030
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    1.042389    2.054764   -1.096848
  H    1.980698    2.192291    0.448288
  H    0.180664    1.997147    0.495163
 21
060
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    0.525406    1.998062   -0.943359
  H    2.106628    2.196854   -0.079102
  H    0.569016    2.048950    0.866592
 21
090
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    0.153366    1.962616   -0.550430
  H    1.953827    2.169434   -0.598648
  H    1.090302    2.111435    0.992416
 21
120
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    0.025955    1.957900   -0.023376
  H    1.563217    2.117371   -0.971115
  H    1.604828    2.167847    0.838928
 21
150
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    0.177353    1.985168    0.496628
  H    1.039459    2.054642   -1.096725
  H    1.974731    2.203094    0.447235
 21
180
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    0.566956    2.037155    0.870193
  H    0.522919    1.998016   -0.941788
  H    2.100845    2.207733   -0.077682
 21
210
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    1.090363    2.099884    0.997253
  H    0.151993    1.962708   -0.547852
  H    1.949402    2.180511   -0.595184
 21
240
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    1.607361    2.156586    0.843750
  H    0.026062    1.958160   -0.020462
  H    1.561020    2.128738   -0.966600
 21
270
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    1.979385    2.192032    0.450821
  H    0.178894    1.985596    0.499069
  H    1.039719    2.066284   -1.092392
 21
300
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    2.106750    2.196762   -0.076248
  H    0.569504    2.037674    0.871536
  H    0.525223    2.009872   -0.938873
 21
330
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    1.955322    2.169479   -0.596222
  H    1.093231    2.100418    0.997147
  H    0.155380    1.974640   -0.547195
 21
360
  C    1.283981    0.189590   -0.014114
  C    0.720413   -0.416183    1.263351
  C   -0.793732   -0.431564    1.288361
  C   -1.360092   -1.121628    0.064987
  C   -0.842285   -0.483337   -1.207047
  C    0.671646   -0.469467   -1.241776
  C    1.110672    1.692886   -0.042526
  H    2.392227   -0.024307   -0.031097
  H    1.101318    0.160431    2.146362
  H    1.098694   -1.468613    1.358353
  H   -1.144928   -0.958984    2.213333
  H   -1.179367    0.620865    1.335342
  H   -2.479416   -1.066574    0.085556
  H   -1.075302   -2.206512    0.081955
  H   -1.229446   -1.047653   -2.095291
  H   -1.229233    0.566986   -1.282211
  H    1.018219    0.067535   -2.162842
  H    1.045776   -1.525742   -1.305328
  H    1.565704    2.117508   -0.969757
  H    1.609772    2.157043    0.842209
  H    0.029266    1.970032   -0.022263

