19
comment
  C           2.715  -0.158   0.380
  C            1.214   0.035   0.117
  C            0.758   1.589   0.205
  C           -0.822   1.684   0.530
 Br            1.142   2.477  -1.441
  H            2.971  -1.219   0.577
  H          3.316   0.140  -0.507
  H          3.068   0.445   1.244
  H            0.921  -0.421  -0.862
  H            0.649  -0.591   0.847
  H          -1.385   0.814   0.112
  H            -1.046   1.707   1.620
  H            -1.312   2.614   0.166
  H           1.325   2.078   1.034
  S          0.512  -0.559   5.064
  C          1.180  -0.174   6.685
  H         0.802   0.796   7.023
  H          2.268  -0.139   6.633
  H         0.875  -0.949   7.385
19
comment
  C           2.713  -0.162   0.389
  C            1.212   0.030   0.126
  C            0.756   1.584   0.214
  C           -0.817   1.707   0.560
 Br            1.142   2.477  -1.441
  H            2.969  -1.224   0.585
  H          3.314   0.135  -0.498
  H          3.066   0.440   1.253
  H            0.919  -0.426  -0.853
  H            0.647  -0.596   0.855
  H          -1.401   0.847   0.152
  H            -1.026   1.737   1.653
  H            -1.297   2.645   0.200
  H           1.338   2.098   1.017
  S            0.460   0.332   2.701
  C            1.212   0.989   4.192
  H            0.868   2.014   4.362
  H            2.296   0.985   4.087
  H            0.927   0.363   5.036
19
comment
  C           2.713  -0.162   0.389
  C            1.212   0.030   0.126
  C            0.756   1.584   0.214
  C           -0.817   1.707   0.560
 Br            1.142   2.477  -1.441
  H            2.969  -1.224   0.585
  H          3.314   0.135  -0.498
  H          3.066   0.440   1.253
  H            0.919  -0.426  -0.853
  H            0.647  -0.596   0.855
  H          -1.401   0.847   0.152
  H            -1.026   1.737   1.653
  H            -1.297   2.645   0.200
  H           1.338   2.098   1.017
  S            0.460   0.332   2.701
  C            1.212   0.989   4.192
  H            0.868   2.014   4.362
  H            2.296   0.985   4.087
  H            0.927   0.363   5.036
19
comment
  C           2.819  -0.025  -0.038
  C            1.297   0.109  -0.189
  C            0.756   1.584   0.214
  C           -0.832   1.706   0.486
 Br            1.148   2.491  -1.467
  H            3.149  -1.085  -0.058
  H          3.349   0.474  -0.878
  H          3.186   0.428   0.909
  H            0.974  -0.175  -1.222
  H            0.813  -0.679   0.433
  H          -1.395   0.844   0.055
  H            -1.090   1.739   1.569
  H            -1.295   2.643   0.102
  H           1.422   2.201   0.865
  S            0.598   0.399   2.523
  C            1.427   1.132   3.936
  H            1.062   2.151   4.093
  H            2.501   1.157   3.757
  H            1.220   0.529   4.818
19
comment
  C           2.819  -0.025  -0.038
  C            1.297   0.109  -0.189
  C            0.756   1.584   0.214
  C           -0.832   1.855   0.338
 Br            1.158   2.514  -1.510
  H            3.149  -1.085  -0.058
  H          3.349   0.474  -0.878
  H          3.186   0.428   0.909
  H            0.974  -0.175  -1.222
  H            0.813  -0.679   0.433
  H          -1.431   1.035  -0.125
  H            -1.181   1.942   1.392
  H            -1.171   2.818  -0.105
  H           1.440   2.259   0.782
  S            0.552   0.634   2.408
  C            1.396   1.511   3.727
  H            1.037   2.543   3.776
  H            2.469   1.511   3.539
  H            1.194   1.008   4.671
19
comment
  C           2.840   0.041  -0.218
  C            1.311   0.157  -0.321
  C            0.756   1.584   0.214
  C           -0.816   1.945   0.132
 Br            1.179   2.561  -1.596
  H            3.187  -1.007  -0.333
  H          3.339   0.617  -1.027
  H          3.223   0.423   0.753
  H            0.968  -0.048  -1.366
  H            0.858  -0.688   0.246
  H          -1.400   1.146  -0.384
  H            -1.288   2.082   1.131
  H            -1.042   2.912  -0.372
  H           1.454   2.297   0.715
  S            0.565   0.693   2.271
  C            1.438   1.633   3.526
  H            1.071   2.664   3.542
  H            2.505   1.633   3.307
  H            1.267   1.170   4.496
19
comment
  C           2.854   0.122  -0.393
  C            1.322   0.217  -0.449
  C            0.756   1.584   0.214
  C           -0.797   1.989   0.027
 Br            1.213   2.640  -1.744
  H            3.216  -0.906  -0.602
  H          3.322   0.771  -1.164
  H          3.255   0.431   0.597
  H            0.955   0.090  -1.499
  H            0.898  -0.681   0.058
  H          -1.370   1.199  -0.516
  H            -1.327   2.153   0.993
  H            -0.961   2.954  -0.502
  H           1.466   2.339   0.629
  S            0.577   0.752   2.134
  C            1.460   1.713   3.367
  H            1.090   2.743   3.371
  H            2.525   1.713   3.138
  H            1.300   1.263   4.345
19
comment
  C           2.867   0.172  -0.462
  C            1.334   0.249  -0.502
  C            0.756   1.584   0.214
  C           -0.778   2.023  -0.038
 Br            1.249   2.723  -1.898
  H            3.241  -0.843  -0.710
  H          3.320   0.854  -1.213
  H          3.273   0.451   0.535
  H            0.960   0.155  -1.553
  H            0.926  -0.672  -0.024
  H          -1.347   1.243  -0.598
  H            -1.342   2.208   0.904
  H            -0.898   2.988  -0.580
  H           1.469   2.355   0.593
  S            0.588   0.804   2.015
  C            1.471   1.764   3.248
  H            1.101   2.794   3.252
  H            2.536   1.764   3.019
  H            1.311   1.314   4.226
19
comment
  C           2.878   0.219  -0.522
  C            1.343   0.279  -0.549
  C            0.756   1.584   0.214
  C           -0.753   2.061  -0.110
 Br            1.279   2.793  -2.027
  H            3.261  -0.783  -0.806
  H          3.317   0.930  -1.255
  H          3.288   0.471   0.479
  H            0.962   0.215  -1.599
  H            0.950  -0.661  -0.098
  H          -1.317   1.290  -0.689
  H            -1.354   2.268   0.804
  H            -0.824   3.023  -0.664
  H           1.473   2.368   0.557
  S            0.597   0.844   1.924
  C            1.489   1.824   3.135
  H            1.116   2.853   3.127
  H            2.551   1.823   2.895
  H            1.339   1.388   4.120
19
comment
  C           2.892   0.294  -0.611
  C            1.357   0.328  -0.618
  C            0.756   1.584   0.214
  C           -0.726   2.069  -0.208
 Br            1.320   2.886  -2.200
  H            3.289  -0.687  -0.946
  H          3.311   1.047  -1.313
  H          3.310   0.504   0.397
  H            0.964   0.307  -1.665
  H            0.985  -0.640  -0.207
  H          -1.262   1.293  -0.806
  H            -1.378   2.298   0.665
  H            -0.754   3.022  -0.782
  H           1.465   2.390   0.522
  S            0.600   0.859   1.887
  C            1.492   1.840   3.098
  H            1.119   2.868   3.091
  H            2.554   1.839   2.858
  H            1.342   1.404   4.084
19
comment
  C           2.918   0.513  -0.828
  C            1.384   0.474  -0.788
  C            0.756   1.584   0.214
  C           -0.631   2.151  -0.389
 Br           1.350   2.956  -2.329
  H            3.347  -0.396  -1.297
  H            3.279   1.369  -1.439
  H          3.360   0.614   0.187
  H          0.957   0.567  -1.818
  H            1.069  -0.554  -0.496
  H           -1.142   1.398  -1.036
  H          -1.366   2.441   0.396
  H            -0.528   3.091  -0.977
  H             1.488   2.412   0.374
  S           0.603   0.871   1.860
  C            1.503   1.871   3.048
  H            1.127   2.899   3.029
  H            2.563   1.870   2.798
  H            1.364   1.449   4.041
19
comment
  C           2.918   0.513  -0.828
  C            1.384   0.474  -0.788
  C            0.756   1.584   0.214
  C           -0.631   2.151  -0.389
 Br            1.503   3.363  -2.751
  H            3.347  -0.396  -1.297
  H            3.279   1.369  -1.439
  H          3.360   0.614   0.187
  H          0.957   0.567  -1.818
  H            1.069  -0.554  -0.496
  H           -1.142   1.398  -1.036
  H          -1.366   2.441   0.396
  H            -0.528   3.091  -0.977
  H             1.485   2.418   0.350
  S           0.604   0.875   1.851
  C            1.512   1.895   3.016
  H            1.133   2.921   2.986
  H            2.570   1.893   2.756
  H            1.384   1.486   4.016
19
comment
  C             2.918   0.513  -0.828
  C             1.384   0.474  -0.788
  C             0.756   1.584   0.214
  C            -0.631   2.151  -0.389
 BR              2.179   3.910  -4.170
  H             3.347  -0.396  -1.297
  H            3.279   1.369  -1.439
  H              3.360   0.614   0.187
  H              0.957   0.567  -1.818
  H              1.069  -0.554  -0.496
  H            -1.142   1.398  -1.036
  H             -1.366   2.441   0.396
  H             -0.528   3.091  -0.977
  H              1.485   2.418   0.350
  S              0.604   0.875   1.851
  C              1.512   1.895   3.016
  H               1.133   2.921   2.986
  H              2.570   1.893   2.756
  H               1.384   1.486   4.016
19
comment
  C              2.918   0.513  -0.828
  C             1.384   0.474  -0.788
  C              0.756   1.584   0.214
  C            -0.631   2.151  -0.389
 BR          3.012   4.712  -5.700
  H            3.347  -0.396  -1.297
  H            3.279   1.369  -1.439
  H            3.360   0.614   0.187
  H           0.957   0.567  -1.818
  H           1.069  -0.554  -0.496
  H          -1.142   1.398  -1.036
  H         -1.366   2.441   0.396
  H         -0.528   3.091  -0.977
  H          1.485   2.418   0.350
  S           0.460   0.841   1.816
  C          1.306   1.805   3.072
  H           0.960   2.842   3.040
  H          2.380   1.776   2.892
  H          1.091   1.376   4.049
19
comment
  C              2.918   0.513  -0.828
  C             1.384   0.474  -0.788
  C              0.756   1.584   0.214
  C            -0.631   2.151  -0.389
 BR           3.900   5.700  -6.900
  H            3.347  -0.396  -1.297
  H            3.279   1.369  -1.439
  H            3.360   0.614   0.187
  H           0.957   0.567  -1.818
  H           1.069  -0.554  -0.496
  H          -1.142   1.398  -1.036
  H         -1.366   2.441   0.396
  H         -0.528   3.091  -0.977
  H          1.485   2.418   0.350
  S           0.460   0.841   1.816
  C          1.306   1.805   3.072
  H           0.960   2.842   3.040
  H          2.380   1.776   2.892
  H          1.091   1.376   4.049
19
comment
  C              2.918   0.513  -0.828
  C             1.384   0.474  -0.788
  C              0.756   1.584   0.214
  C            -0.631   2.151  -0.389
 BR          5.000   6.500  -7.500
  H            3.347  -0.396  -1.297
  H            3.279   1.369  -1.439
  H            3.360   0.614   0.187
  H           0.957   0.567  -1.818
  H           1.069  -0.554  -0.496
  H          -1.142   1.398  -1.036
  H         -1.366   2.441   0.396
  H         -0.528   3.091  -0.977
  H          1.485   2.418   0.350
  S           0.460   0.841   1.816
  C          1.306   1.805   3.072
  H           0.960   2.842   3.040
  H          2.380   1.776   2.892
  H          1.091   1.376   4.049

