COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CO   UNL     1      14.815 -58.337  20.889  1.00  0.00          Co  
HETATM    2  C   UNL     1      13.520 -56.198  18.345  1.00  0.00           C  
HETATM    3  C   UNL     1      14.495 -59.162  14.471  1.00  0.00           C  
HETATM    4  C   UNL     1      13.329 -59.647  13.736  1.00  0.00           C  
HETATM    5  C   UNL     1      17.047 -60.761  17.824  1.00  0.00           C  
HETATM    6  C   UNL     1      16.696 -63.994  21.635  1.00  0.00           C  
HETATM    7  C   UNL     1      12.646 -62.747  20.645  1.00  0.00           C  
HETATM    8  C   UNL     1      11.530 -62.514  21.684  1.00  0.00           C  
HETATM    9  C   UNL     1      13.535 -59.992  25.774  1.00  0.00           C  
HETATM   10  C   UNL     1      12.627 -56.922  25.198  1.00  0.00           C  
HETATM   11  C   UNL     1      12.048 -56.884  26.606  1.00  0.00           C  
HETATM   12  C   UNL     1      12.731 -55.922  27.514  1.00  0.00           C  
HETATM   13  C   UNL     1      14.833 -53.038  21.958  1.00  0.00           C  
HETATM   14  C   UNL     1      13.310 -53.187  22.038  1.00  0.00           C  
HETATM   15  C   UNL     1      12.666 -52.007  22.753  1.00  0.00           C  
HETATM   16  C   UNL     1      14.345 -60.732  22.951  1.00  0.00           C  
HETATM   17  C   UNL     1      14.300 -59.473  23.487  1.00  0.00           C  
HETATM   18  C   UNL     1      14.342 -59.155  25.009  1.00  0.00           C  
HETATM   19  C   UNL     1      11.481 -49.842  22.464  1.00  0.00           C  
HETATM   20  C   UNL     1      10.048 -50.044  22.828  1.00  0.00           C  
HETATM   21  C   UNL     1      13.978 -57.620  24.983  1.00  0.00           C  
HETATM   22  C   UNL     1       9.392 -48.709  23.210  1.00  0.00           C  
HETATM   23  C   UNL     1       9.750 -56.579  21.839  1.00  0.00           C  
HETATM   24  C   UNL     1       9.466 -55.243  21.138  1.00  0.00           C  
HETATM   25  C   UNL     1      14.559 -57.247  23.618  1.00  0.00           C  
HETATM   26  C   UNL     1      15.157 -56.040  23.325  1.00  0.00           C  
HETATM   27  C   UNL     1       9.440 -54.665  24.837  1.00  0.00           C  
HETATM   28  C   UNL     1      15.339 -55.634  21.939  1.00  0.00           C  
HETATM   29  C   UNL     1      15.694 -54.202  21.393  1.00  0.00           C  
HETATM   30  C   UNL     1      12.110 -57.350  21.467  1.00  0.00           C  
HETATM   31  C   UNL     1      11.976 -59.774  18.918  1.00  0.00           C  
HETATM   32  C   UNL     1      10.842 -60.258  18.262  1.00  0.00           C  
HETATM   33  C   UNL     1       9.557 -59.726  18.599  1.00  0.00           C  
HETATM   34  C   UNL     1      15.442 -54.380  19.871  1.00  0.00           C  
HETATM   35  C   UNL     1      11.885 -58.836  19.929  1.00  0.00           C  
HETATM   36  C   UNL     1      11.048 -61.319  17.204  1.00  0.00           C  
HETATM   37  C   UNL     1      15.617 -55.896  19.650  1.00  0.00           C  
HETATM   38  P   UNL     1       8.447 -51.822  21.701  1.00  0.00           P  
HETATM   39  N   UNL     1      15.035 -58.111  19.034  1.00  0.00           N  
HETATM   40  N   UNL     1      14.737 -60.226  20.671  1.00  0.00           N  
HETATM   41  N   UNL     1      14.598 -58.363  22.791  1.00  0.00           N  
HETATM   42  N   UNL     1      15.244 -56.493  20.950  1.00  0.00           N  
HETATM   43  N   UNL     1      19.239 -58.198  16.829  1.00  0.00           N  
HETATM   44  N   UNL     1      12.799 -58.756  12.989  1.00  0.00           N  
HETATM   45  N   UNL     1      17.279 -65.034  21.136  1.00  0.00           N  
HETATM   46  N   UNL     1       9.389 -61.680  21.838  1.00  0.00           N  
HETATM   47  N   UNL     1      12.273 -54.704  27.534  1.00  0.00           N  
HETATM   48  N   UNL     1      12.156 -51.075  21.998  1.00  0.00           N  
HETATM   49  N   UNL     1      15.661 -52.417  16.745  1.00  0.00           N  
HETATM   50  N   UNL     1      10.779 -57.392  21.221  1.00  0.00           N  
HETATM   51  N   UNL     1      12.822 -58.199  20.745  1.00  0.00           N  
HETATM   52  C   UNL     1      14.968 -56.687  18.496  1.00  0.00           C  
HETATM   53  C   UNL     1      15.739 -56.887  17.109  1.00  0.00           C  
HETATM   54  C   UNL     1      15.354 -58.392  16.776  1.00  0.00           C  
HETATM   55  C   UNL     1      15.266 -59.014  18.147  1.00  0.00           C  
HETATM   56  C   UNL     1      15.712 -60.349  18.467  1.00  0.00           C  
HETATM   57  C   UNL     1      15.223 -60.971  19.589  1.00  0.00           C  
HETATM   58  C   UNL     1      15.208 -62.479  20.002  1.00  0.00           C  
HETATM   59  C   UNL     1      14.084 -62.438  21.098  1.00  0.00           C  
HETATM   60  C   UNL     1      14.236 -61.029  21.620  1.00  0.00           C  
HETATM   61  C   UNL     1      15.410 -55.842  16.042  1.00  0.00           C  
HETATM   62  C   UNL     1      17.299 -56.839  17.298  1.00  0.00           C  
HETATM   63  C   UNL     1      18.194 -57.539  16.290  1.00  0.00           C  
HETATM   64  C   UNL     1      14.137 -58.790  15.909  1.00  0.00           C  
HETATM   65  C   UNL     1      14.983 -63.545  18.953  1.00  0.00           C  
HETATM   66  C   UNL     1      16.573 -62.763  20.757  1.00  0.00           C  
HETATM   67  C   UNL     1      10.146 -62.449  21.231  1.00  0.00           C  
HETATM   68  C   UNL     1      15.746 -59.425  25.635  1.00  0.00           C  
HETATM   69  C   UNL     1      15.963 -55.455  24.454  1.00  0.00           C  
HETATM   70  C   UNL     1      17.152 -53.896  21.717  1.00  0.00           C  
HETATM   71  C   UNL     1      16.151 -53.457  18.859  1.00  0.00           C  
HETATM   72  C   UNL     1      15.235 -52.646  17.924  1.00  0.00           C  
HETATM   73  C   UNL     1       9.143 -54.317  22.323  1.00  0.00           C  
HETATM   74  C   UNL     1       9.968 -54.903  23.453  1.00  0.00           C  
HETATM   75  C   UNL     1       9.437 -58.785  19.554  1.00  0.00           C  
HETATM   76  C   UNL     1      10.600 -58.332  20.214  1.00  0.00           C  
HETATM   77  C   UNL     1       8.284 -60.206  17.890  1.00  0.00           C  
HETATM   78  O   UNL     1      16.704 -58.596  21.102  1.00  0.00           O  
HETATM   79  O   UNL     1      18.063 -57.547  15.074  1.00  0.00           O  
HETATM   80  O   UNL     1      12.924 -60.873  13.870  1.00  0.00           O  
HETATM   81  O   UNL     1      16.255 -63.943  22.793  1.00  0.00           O  
HETATM   82  O   UNL     1       9.720 -63.187  20.222  1.00  0.00           O  
HETATM   83  O   UNL     1      13.690 -56.294  28.213  1.00  0.00           O  
HETATM   84  O   UNL     1      12.644 -52.008  24.002  1.00  0.00           O  
HETATM   85  O   UNL     1      14.129 -52.228  18.337  1.00  0.00           O  
HETATM   86  O   UNL     1       9.524 -52.957  22.059  1.00  0.00           O  
HETATM   87  O   UNL     1       9.376 -50.567  21.654  1.00  0.00           O  
HETATM   88  O   UNL     1       7.415 -51.738  22.784  1.00  0.00           O  
HETATM   89  O   UNL     1       7.993 -51.947  20.276  1.00  0.00           O  
HETATM   90  O   UNL     1      10.093 -56.289  23.191  1.00  0.00           O  
HETATM   91  O   UNL     1      10.557 -54.805  20.387  1.00  0.00           O  
HETATM   92  O   UNL     1       8.325 -55.490  25.146  1.00  0.00           O  
HETATM   93  H   UNL     1      13.064 -56.087  19.340  1.00  0.00           H  
HETATM   94  H   UNL     1      13.513 -55.227  17.828  1.00  0.00           H  
HETATM   95  H   UNL     1      12.945 -56.930  17.758  1.00  0.00           H  
HETATM   96  H   UNL     1      15.261 -59.951  14.486  1.00  0.00           H  
HETATM   97  H   UNL     1      14.894 -58.273  13.961  1.00  0.00           H  
HETATM   98  H   UNL     1      17.299 -61.788  18.127  1.00  0.00           H  
HETATM   99  H   UNL     1      16.956 -60.713  16.729  1.00  0.00           H  
HETATM  100  H   UNL     1      17.841 -60.076  18.156  1.00  0.00           H  
HETATM  101  H   UNL     1      12.429 -63.108  19.651  1.00  0.00           H  
HETATM  102  H   UNL     1      11.770 -62.401  22.731  1.00  0.00           H  
HETATM  103  H   UNL     1      13.614 -59.710  26.834  1.00  0.00           H  
HETATM  104  H   UNL     1      12.490 -59.894  25.446  1.00  0.00           H  
HETATM  105  H   UNL     1      13.863 -61.034  25.646  1.00  0.00           H  
HETATM  106  H   UNL     1      12.743 -55.880  24.866  1.00  0.00           H  
HETATM  107  H   UNL     1      11.892 -57.432  24.558  1.00  0.00           H  
HETATM  108  H   UNL     1      10.987 -56.601  26.537  1.00  0.00           H  
HETATM  109  H   UNL     1      12.131 -57.890  27.042  1.00  0.00           H  
HETATM  110  H   UNL     1      15.189 -52.846  22.981  1.00  0.00           H  
HETATM  111  H   UNL     1      15.034 -52.158  21.329  1.00  0.00           H  
HETATM  112  H   UNL     1      12.904 -53.251  21.018  1.00  0.00           H  
HETATM  113  H   UNL     1      13.070 -54.110  22.586  1.00  0.00           H  
HETATM  114  H   UNL     1      14.477 -61.558  23.634  1.00  0.00           H  
HETATM  115  H   UNL     1      12.015 -49.467  23.350  1.00  0.00           H  
HETATM  116  H   UNL     1      11.533 -49.093  21.660  1.00  0.00           H  
HETATM  117  H   UNL     1       9.967 -50.748  23.669  1.00  0.00           H  
HETATM  118  H   UNL     1      14.656 -57.161  25.718  1.00  0.00           H  
HETATM  119  H   UNL     1       9.890 -48.297  24.100  1.00  0.00           H  
HETATM  120  H   UNL     1       9.489 -48.000  22.374  1.00  0.00           H  
HETATM  121  H   UNL     1       8.327 -48.874  23.429  1.00  0.00           H  
HETATM  122  H   UNL     1       8.811 -57.153  21.833  1.00  0.00           H  
HETATM  123  H   UNL     1       8.569 -55.349  20.510  1.00  0.00           H  
HETATM  124  H   UNL     1      10.242 -54.872  25.561  1.00  0.00           H  
HETATM  125  H   UNL     1       9.133 -53.612  24.921  1.00  0.00           H  
HETATM  126  H   UNL     1      12.552 -56.681  22.190  1.00  0.00           H  
HETATM  127  H   UNL     1      12.949 -60.142  18.628  1.00  0.00           H  
HETATM  128  H   UNL     1      14.367 -54.189  19.733  1.00  0.00           H  
HETATM  129  H   UNL     1      11.207 -60.838  16.228  1.00  0.00           H  
HETATM  130  H   UNL     1      11.928 -61.927  17.461  1.00  0.00           H  
HETATM  131  H   UNL     1      10.159 -61.965  17.154  1.00  0.00           H  
HETATM  132  H   UNL     1      16.700 -56.053  19.541  1.00  0.00           H  
HETATM  133  H   UNL     1      19.886 -58.679  16.237  1.00  0.00           H  
HETATM  134  H   UNL     1      19.367 -58.206  17.821  1.00  0.00           H  
HETATM  135  H   UNL     1      11.995 -58.979  12.438  1.00  0.00           H  
HETATM  136  H   UNL     1      13.188 -57.835  12.956  1.00  0.00           H  
HETATM  137  H   UNL     1      17.395 -65.857  21.692  1.00  0.00           H  
HETATM  138  H   UNL     1      17.614 -65.015  20.194  1.00  0.00           H  
HETATM  139  H   UNL     1       8.429 -61.606  21.568  1.00  0.00           H  
HETATM  140  H   UNL     1       9.738 -61.132  22.599  1.00  0.00           H  
HETATM  141  H   UNL     1      12.695 -54.021  28.130  1.00  0.00           H  
HETATM  142  H   UNL     1      11.499 -54.451  26.954  1.00  0.00           H  
HETATM  143  H   UNL     1      12.227 -51.205  21.009  1.00  0.00           H  
HETATM  144  H   UNL     1      15.105 -51.884  16.107  1.00  0.00           H  
HETATM  145  H   UNL     1      16.551 -52.771  16.458  1.00  0.00           H  
HETATM  146  H   UNL     1      16.238 -58.827  16.287  1.00  0.00           H  
HETATM  147  H   UNL     1      14.358 -63.144  21.896  1.00  0.00           H  
HETATM  148  H   UNL     1      15.724 -54.848  16.392  1.00  0.00           H  
HETATM  149  H   UNL     1      15.943 -56.088  15.112  1.00  0.00           H  
HETATM  150  H   UNL     1      14.326 -55.839  15.854  1.00  0.00           H  
HETATM  151  H   UNL     1      17.516 -57.282  18.281  1.00  0.00           H  
HETATM  152  H   UNL     1      17.589 -55.778  17.301  1.00  0.00           H  
HETATM  153  H   UNL     1      13.438 -57.941  15.883  1.00  0.00           H  
HETATM  154  H   UNL     1      13.646 -59.655  16.378  1.00  0.00           H  
HETATM  155  H   UNL     1      15.005 -64.537  19.427  1.00  0.00           H  
HETATM  156  H   UNL     1      14.004 -63.389  18.476  1.00  0.00           H  
HETATM  157  H   UNL     1      15.776 -63.484  18.193  1.00  0.00           H  
HETATM  158  H   UNL     1      17.355 -62.839  19.987  1.00  0.00           H  
HETATM  159  H   UNL     1      16.772 -61.891  21.398  1.00  0.00           H  
HETATM  160  H   UNL     1      15.722 -59.185  26.708  1.00  0.00           H  
HETATM  161  H   UNL     1      16.009 -60.485  25.502  1.00  0.00           H  
HETATM  162  H   UNL     1      16.497 -58.795  25.136  1.00  0.00           H  
HETATM  163  H   UNL     1      15.651 -55.913  25.404  1.00  0.00           H  
HETATM  164  H   UNL     1      17.031 -55.655  24.284  1.00  0.00           H  
HETATM  165  H   UNL     1      15.796 -54.369  24.499  1.00  0.00           H  
HETATM  166  H   UNL     1      17.270 -53.781  22.805  1.00  0.00           H  
HETATM  167  H   UNL     1      17.787 -54.722  21.365  1.00  0.00           H  
HETATM  168  H   UNL     1      17.451 -52.964  21.215  1.00  0.00           H  
HETATM  169  H   UNL     1      16.802 -54.084  18.231  1.00  0.00           H  
HETATM  170  H   UNL     1      16.766 -52.744  19.428  1.00  0.00           H  
HETATM  171  H   UNL     1       8.072 -54.388  22.566  1.00  0.00           H  
HETATM  172  H   UNL     1      10.967 -54.446  23.398  1.00  0.00           H  
HETATM  173  H   UNL     1       8.468 -58.383  19.811  1.00  0.00           H  
HETATM  174  H   UNL     1       7.860 -61.062  18.436  1.00  0.00           H  
HETATM  175  H   UNL     1       7.549 -59.388  17.863  1.00  0.00           H  
HETATM  176  H   UNL     1       8.530 -60.512  16.862  1.00  0.00           H  
HETATM  177  H   UNL     1       6.547 -51.778  22.399  1.00  0.00           H  
HETATM  178  H   UNL     1      10.344 -53.979  19.970  1.00  0.00           H  
HETATM  179  H   UNL     1       8.028 -55.304  26.029  1.00  0.00           H  
HETATM  180  H   UNL     1      16.902 -58.745  22.019  1.00  0.00           H  
CONECT    1   39   40   51   42                                       
CONECT    1   78   41                                                 
CONECT    2   52   93   94   95                                       
CONECT    3    4   64   96   97                                       
CONECT    4   44   80   80    3                                       
CONECT    5   56   98   99  100                                       
CONECT    6   66   45   81   81                                       
CONECT    7   59    8    8  101                                       
CONECT    8    7    7   67  102                                       
CONECT    9   18  103  104  105                                       
CONECT   10   21   11  106  107                                       
CONECT   11   10   12  108  109                                       
CONECT   12   11   47   83   83                                       
CONECT   13   29   14  110  111                                       
CONECT   14   13   15  112  113                                       
CONECT   15   48   14   84   84                                       
CONECT   16   60   17   17  114                                       
CONECT   17   41   16   16   18                                       
CONECT   18   17   21   68    9                                       
CONECT   19   48   20  115  116                                       
CONECT   20   87   19   22  117                                       
CONECT   21   25   18   10  118                                       
CONECT   22   20  119  120  121                                       
CONECT   23   24   50   90  122                                       
CONECT   24   91   23   73  123                                       
CONECT   25   41   41   26   21                                       
CONECT   26   28   28   25   69                                       
CONECT   27   74   92  124  125                                       
CONECT   28   42   29   26   26                                       
CONECT   29   34   70   28   13                                       
CONECT   30   51   51   50  126                                       
CONECT   31   32   35   35  127                                       
CONECT   32   36   33   33   31                                       
CONECT   33   77   32   32   75                                       
CONECT   34   71   37   29  128                                       
CONECT   35   31   31   76   51                                       
CONECT   36   32  129  130  131                                       
CONECT   37   52   34   42  132                                       
CONECT   38   89   89   87   86                                       
CONECT   38   88                                                      
CONECT   39   55   55   52    1                                       
CONECT   40   57    1   60   60                                       
CONECT   41    1   17   25   25                                       
CONECT   42   37    1   28                                            
CONECT   43   63  133  134                                            
CONECT   44    4  135  136                                            
CONECT   45    6  137  138                                            
CONECT   46   67  139  140                                            
CONECT   47   12  141  142                                            
CONECT   48   19   15  143                                            
CONECT   49   72  144  145                                            
CONECT   50   76   30   23                                            
CONECT   51   35    1   30   30                                       
CONECT   52   53    2   39   37                                       
CONECT   53   61   54   62   52                                       
CONECT   54   64   53   55  146                                       
CONECT   55   54   56   39   39                                       
CONECT   56    5   55   57   57                                       
CONECT   57   56   56   58   40                                       
CONECT   58   65   57   66   59                                       
CONECT   59   58    7   60  147                                       
CONECT   60   40   40   59   16                                       
CONECT   61   53  148  149  150                                       
CONECT   62   63   53  151  152                                       
CONECT   63   79   79   43   62                                       
CONECT   64    3   54  153  154                                       
CONECT   65   58  155  156  157                                       
CONECT   66   58    6  158  159                                       
CONECT   67   82   82    8   46                                       
CONECT   68   18  160  161  162                                       
CONECT   69   26  163  164  165                                       
CONECT   70   29  166  167  168                                       
CONECT   71   72   34  169  170                                       
CONECT   72   49   85   85   71                                       
CONECT   73   24   86   74  171                                       
CONECT   74   73   90   27  172                                       
CONECT   75   33   76   76  173                                       
CONECT   76   75   75   35   50                                       
CONECT   77   33  174  175  176                                       
CONECT   78    1  180                                                 
CONECT   79   63   63                                                 
CONECT   80    4    4                                                 
CONECT   81    6    6                                                 
CONECT   82   67   67                                                 
CONECT   83   12   12                                                 
CONECT   84   15   15                                                 
CONECT   85   72   72                                                 
CONECT   86   38   73                                                 
CONECT   87   38   20                                                 
CONECT   88   38  177                                                 
CONECT   89   38   38                                                 
CONECT   90   23   74                                                 
CONECT   91   24  178                                                 
CONECT   92   27  179                                                 
CONECT   93    2                                                      
CONECT   94    2                                                      
CONECT   95    2                                                      
CONECT   96    3                                                      
CONECT   97    3                                                      
CONECT   98    5                                                      
CONECT   99    5                                                      
CONECT  100    5                                                      
CONECT  101    7                                                      
CONECT  102    8                                                      
CONECT  103    9                                                      
CONECT  104    9                                                      
CONECT  105    9                                                      
CONECT  106   10                                                      
CONECT  107   10                                                      
CONECT  108   11                                                      
CONECT  109   11                                                      
CONECT  110   13                                                      
CONECT  111   13                                                      
CONECT  112   14                                                      
CONECT  113   14                                                      
CONECT  114   16                                                      
CONECT  115   19                                                      
CONECT  116   19                                                      
CONECT  117   20                                                      
CONECT  118   21                                                      
CONECT  119   22                                                      
CONECT  120   22                                                      
CONECT  121   22                                                      
CONECT  122   23                                                      
CONECT  123   24                                                      
CONECT  124   27                                                      
CONECT  125   27                                                      
CONECT  126   30                                                      
CONECT  127   31                                                      
CONECT  128   34                                                      
CONECT  129   36                                                      
CONECT  130   36                                                      
CONECT  131   36                                                      
CONECT  132   37                                                      
CONECT  133   43                                                      
CONECT  134   43                                                      
CONECT  135   44                                                      
CONECT  136   44                                                      
CONECT  137   45                                                      
CONECT  138   45                                                      
CONECT  139   46                                                      
CONECT  140   46                                                      
CONECT  141   47                                                      
CONECT  142   47                                                      
CONECT  143   48                                                      
CONECT  144   49                                                      
CONECT  145   49                                                      
CONECT  146   54                                                      
CONECT  147   59                                                      
CONECT  148   61                                                      
CONECT  149   61                                                      
CONECT  150   61                                                      
CONECT  151   62                                                      
CONECT  152   62                                                      
CONECT  153   64                                                      
CONECT  154   64                                                      
CONECT  155   65                                                      
CONECT  156   65                                                      
CONECT  157   65                                                      
CONECT  158   66                                                      
CONECT  159   66                                                      
CONECT  160   68                                                      
CONECT  161   68                                                      
CONECT  162   68                                                      
CONECT  163   69                                                      
CONECT  164   69                                                      
CONECT  165   69                                                      
CONECT  166   70                                                      
CONECT  167   70                                                      
CONECT  168   70                                                      
CONECT  169   71                                                      
CONECT  170   71                                                      
CONECT  171   73                                                      
CONECT  172   74                                                      
CONECT  173   75                                                      
CONECT  174   77                                                      
CONECT  175   77                                                      
CONECT  176   77                                                      
CONECT  177   88                                                      
CONECT  178   91                                                      
CONECT  179   92                                                      
CONECT  180   78                                                      
MASTER        0    0    0    0    0    0    0    0  180    0  180    0
END
