COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.625   0.420   1.175  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.487  -0.800   0.620  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.377  -0.159  -1.523  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.321  -1.086  -0.291  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.525  -2.444  -2.251  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.359  -3.579  -0.017  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.418  -5.594   0.559  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.578  -4.459  -1.661  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.186  -9.002   1.209  1.00  0.00           C  
HETATM   10  C   UNL     1       0.504  -6.909   2.530  1.00  0.00           C  
HETATM   11  C   UNL     1       6.250   4.210  -4.694  1.00  0.00           C  
HETATM   12  C   UNL     1       5.043   2.204  -3.906  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.302  -1.668   0.853  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.485  -1.157  -2.734  1.00  0.00           O  
HETATM   15  N   UNL     1      -2.398  -2.470  -0.782  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.911  -1.082  -2.680  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.339  -4.940  -0.663  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.341  -3.481   1.192  1.00  0.00           O  
HETATM   19  N   UNL     1      -1.579  -5.868   0.177  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.772  -5.451  -0.821  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.754  -6.813  -1.518  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.994  -6.951  -0.372  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.308  -7.964   0.507  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.021  -7.110  -1.574  1.00  0.00           O  
HETATM   25  N   UNL     1       0.877  -7.479   1.228  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.300  -9.420   0.034  1.00  0.00           C  
HETATM   27  C   UNL     1       1.622  -6.504   0.420  1.00  0.00           C  
HETATM   28  C   UNL     1       5.531   2.937  -5.173  1.00  0.00           C  
HETATM   29  C   UNL     1       6.173   4.208  -3.153  1.00  0.00           C  
HETATM   30  C   UNL     1       0.677   5.058   1.874  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.726   5.661   1.962  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.701   4.598   2.241  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.723   3.601   1.163  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.349   2.937   1.052  1.00  0.00           C  
HETATM   35  C   UNL     1       0.708   4.006   0.761  1.00  0.00           C  
HETATM   36  C   UNL     1       4.944   3.321  -2.836  1.00  0.00           C  
HETATM   37  C   UNL     1       2.824   3.446  -0.444  1.00  0.00           C  
HETATM   38  C   UNL     1       2.071   3.366   0.710  1.00  0.00           C  
HETATM   39  C   UNL     1       2.562   2.702   1.821  1.00  0.00           C  
HETATM   40  C   UNL     1       3.810   2.113   1.784  1.00  0.00           C  
HETATM   41 BR   UNL     1      10.579  -0.563   0.366  1.00  0.00          Br  
HETATM   42  O   UNL     1       9.255   0.770  -1.524  1.00  0.00           O  
HETATM   43  N   UNL     1       5.044   2.758  -1.487  1.00  0.00           N  
HETATM   44  C   UNL     1       4.078   2.852  -0.494  1.00  0.00           C  
HETATM   45  C   UNL     1       4.575   2.187   0.628  1.00  0.00           C  
HETATM   46  C   UNL     1       8.216   1.055  -0.951  1.00  0.00           C  
HETATM   47  N   UNL     1       7.254   1.737  -1.580  1.00  0.00           N  
HETATM   48  C   UNL     1       6.114   2.062  -0.988  1.00  0.00           C  
HETATM   49  N   UNL     1       5.839   1.703   0.295  1.00  0.00           N  
HETATM   50  C   UNL     1       7.983   0.634   0.442  1.00  0.00           C  
HETATM   51  C   UNL     1       6.761   0.984   1.039  1.00  0.00           C  
HETATM   52  C   UNL     1       6.503   0.607   2.349  1.00  0.00           C  
HETATM   53  C   UNL     1       7.450  -0.109   3.054  1.00  0.00           C  
HETATM   54  C   UNL     1       8.657  -0.455   2.466  1.00  0.00           C  
HETATM   55  C   UNL     1       8.931  -0.088   1.164  1.00  0.00           C  
HETATM   56  C   UNL     1      -3.039   5.157   2.469  1.00  0.00           C  
HETATM   57  C   UNL     1      -3.899   4.136   3.216  1.00  0.00           C  
HETATM   58  C   UNL     1      -5.935   1.163   1.240  1.00  0.00           C  
HETATM   59  C   UNL     1      -5.733   2.016   0.169  1.00  0.00           C  
HETATM   60  C   UNL     1      -6.805   2.440  -0.590  1.00  0.00           C  
HETATM   61  C   UNL     1      -8.093   2.007  -0.275  1.00  0.00           C  
HETATM   62  C   UNL     1      -8.290   1.147   0.806  1.00  0.00           C  
HETATM   63  C   UNL     1      -7.210   0.730   1.556  1.00  0.00           C  
HETATM   64  C   UNL     1      -9.246   2.459  -1.084  1.00  0.00           C  
HETATM   65  C   UNL     1      -4.759   0.698   2.060  1.00  0.00           C  
HETATM   66  C   UNL     1      -4.370   1.791   3.058  1.00  0.00           C  
HETATM   67  O   UNL     1      -4.165   3.022   2.362  1.00  0.00           O  
HETATM   68  C   UNL     1     -10.214   1.670  -1.599  1.00  0.00           C  
HETATM   69  N   UNL     1     -11.131   2.319  -2.283  1.00  0.00           N  
HETATM   70  C   UNL     1     -11.002   3.600  -2.379  1.00  0.00           C  
HETATM   71  S   UNL     1      -9.607   4.122  -1.540  1.00  0.00           S  
HETATM   72  C   UNL     1     -10.240   0.176  -1.408  1.00  0.00           C  
HETATM   73  C   UNL     1      -5.220   4.787   3.632  1.00  0.00           C  
HETATM   74  H   UNL     1      -2.971   1.113   0.992  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.394   0.192  -1.695  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.695   0.683  -1.403  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.385  -0.933   0.247  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.966  -3.267  -2.694  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.574  -2.495  -2.542  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.439  -5.958   0.447  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.843  -6.301   1.157  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.430  -4.624   1.056  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.071  -4.292  -2.612  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.573  -4.863  -1.846  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.664  -3.514  -1.124  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.886  -9.324   2.206  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.261  -8.951   1.035  1.00  0.00           H  
HETATM   88  H   UNL     1       0.091  -7.693   3.164  1.00  0.00           H  
HETATM   89  H   UNL     1       1.387  -6.484   3.006  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.243  -6.129   2.384  1.00  0.00           H  
HETATM   91  H   UNL     1       7.292   4.195  -5.016  1.00  0.00           H  
HETATM   92  H   UNL     1       5.750   5.093  -5.092  1.00  0.00           H  
HETATM   93  H   UNL     1       4.065   1.754  -4.079  1.00  0.00           H  
HETATM   94  H   UNL     1       5.763   1.444  -3.603  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.149  -1.799  -3.375  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.320  -0.752  -3.635  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.868  -4.869  -1.644  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.496  -5.703   1.130  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.294  -6.712  -2.501  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.180  -7.520  -0.920  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.775  -7.177  -1.631  1.00  0.00           H  
HETATM  102  H   UNL     1       0.584 -10.017   0.258  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.791  -9.644  -0.912  1.00  0.00           H  
HETATM  104  H   UNL     1       0.978  -5.654   0.192  1.00  0.00           H  
HETATM  105  H   UNL     1       2.493  -6.161   0.978  1.00  0.00           H  
HETATM  106  H   UNL     1       1.946  -6.973  -0.508  1.00  0.00           H  
HETATM  107  H   UNL     1       4.682   3.202  -5.802  1.00  0.00           H  
HETATM  108  H   UNL     1       6.224   2.303  -5.727  1.00  0.00           H  
HETATM  109  H   UNL     1       7.077   3.774  -2.727  1.00  0.00           H  
HETATM  110  H   UNL     1       6.023   5.220  -2.778  1.00  0.00           H  
HETATM  111  H   UNL     1       1.398   5.845   1.651  1.00  0.00           H  
HETATM  112  H   UNL     1       0.932   4.590   2.825  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.755   6.399   2.763  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.975   6.141   1.015  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.476   2.844   1.384  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.967   4.091   0.221  1.00  0.00           H  
HETATM  117  H   UNL     1      -0.111   2.435   1.989  1.00  0.00           H  
HETATM  118  H   UNL     1      -0.362   2.208   0.241  1.00  0.00           H  
HETATM  119  H   UNL     1       0.491   4.482  -0.195  1.00  0.00           H  
HETATM  120  H   UNL     1       4.019   3.886  -2.951  1.00  0.00           H  
HETATM  121  H   UNL     1       2.437   3.965  -1.309  1.00  0.00           H  
HETATM  122  H   UNL     1       1.967   2.645   2.720  1.00  0.00           H  
HETATM  123  H   UNL     1       4.193   1.599   2.653  1.00  0.00           H  
HETATM  124  H   UNL     1       5.566   0.872   2.815  1.00  0.00           H  
HETATM  125  H   UNL     1       7.248  -0.402   4.073  1.00  0.00           H  
HETATM  126  H   UNL     1       9.387  -1.015   3.031  1.00  0.00           H  
HETATM  127  H   UNL     1      -2.957   6.067   3.064  1.00  0.00           H  
HETATM  128  H   UNL     1      -3.503   5.391   1.511  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.367   3.793   4.104  1.00  0.00           H  
HETATM  130  H   UNL     1      -4.735   2.351  -0.073  1.00  0.00           H  
HETATM  131  H   UNL     1      -6.646   3.106  -1.425  1.00  0.00           H  
HETATM  132  H   UNL     1      -9.285   0.808   1.054  1.00  0.00           H  
HETATM  133  H   UNL     1      -7.360   0.064   2.394  1.00  0.00           H  
HETATM  134  H   UNL     1      -5.029  -0.209   2.601  1.00  0.00           H  
HETATM  135  H   UNL     1      -5.169   1.916   3.789  1.00  0.00           H  
HETATM  136  H   UNL     1      -3.451   1.505   3.570  1.00  0.00           H  
HETATM  137  H   UNL     1     -11.682   4.250  -2.909  1.00  0.00           H  
HETATM  138  H   UNL     1     -10.719  -0.060  -0.457  1.00  0.00           H  
HETATM  139  H   UNL     1     -10.801  -0.285  -2.221  1.00  0.00           H  
HETATM  140  H   UNL     1      -9.220  -0.208  -1.407  1.00  0.00           H  
HETATM  141  H   UNL     1      -5.751   5.129   2.744  1.00  0.00           H  
HETATM  142  H   UNL     1      -5.832   4.059   4.165  1.00  0.00           H  
HETATM  143  H   UNL     1      -5.016   5.636   4.284  1.00  0.00           H  
CONECT    1    2   65   74                                            
CONECT    2    4   13   13    1                                       
CONECT    3   16    4   75   76                                       
CONECT    4   15    2    3   77                                       
CONECT    5   15   16   78   79                                       
CONECT    6   17   18   18   15                                       
CONECT    7   20   80   81   82                                       
CONECT    8   20   83   84   85                                       
CONECT    9   23   26   86   87                                       
CONECT   10   25   88   89   90                                       
CONECT   11   29   28   91   92                                       
CONECT   12   36   28   93   94                                       
CONECT   13    2    2                                                 
CONECT   14   16   95                                                 
CONECT   15    6    5    4                                            
CONECT   16    5   14    3   96                                       
CONECT   17   19   20    6   97                                       
CONECT   18    6    6                                                 
CONECT   19   22   17   98                                            
CONECT   20   21    8   17    7                                       
CONECT   21   20   99  100  101                                       
CONECT   22   23   24   24   19                                       
CONECT   23    9   26   25   22                                       
CONECT   24   22   22                                                 
CONECT   25   27   23   10                                            
CONECT   26    9   23  102  103                                       
CONECT   27   25  104  105  106                                       
CONECT   28   12   11  107  108                                       
CONECT   29   36   11  109  110                                       
CONECT   30   35   31  111  112                                       
CONECT   31   30   32  113  114                                       
CONECT   32   33   31   56                                            
CONECT   33   34   32  115  116                                       
CONECT   34   35   33  117  118                                       
CONECT   35   38   34   30  119                                       
CONECT   36   43   12   29  120                                       
CONECT   37   44   44   38  121                                       
CONECT   38   39   39   37   35                                       
CONECT   39   40   38   38  122                                       
CONECT   40   45   45   39  123                                       
CONECT   41   55                                                      
CONECT   42   46   46                                                 
CONECT   43   48   44   36                                            
CONECT   44   45   43   37   37                                       
CONECT   45   49   40   40   44                                       
CONECT   46   50   42   42   47                                       
CONECT   47   46   48   48                                            
CONECT   48   49   47   47   43                                       
CONECT   49   51   48   45                                            
CONECT   50   55   55   51   46                                       
CONECT   51   52   52   50   49                                       
CONECT   52   53   51   51  124                                       
CONECT   53   54   54   52  125                                       
CONECT   54   53   53   55  126                                       
CONECT   55   41   54   50   50                                       
CONECT   56   32   57  127  128                                       
CONECT   57   56   67   73  129                                       
CONECT   58   65   63   63   59                                       
CONECT   59   58   60   60  130                                       
CONECT   60   59   59   61  131                                       
CONECT   61   62   62   60   64                                       
CONECT   62   63   61   61  132                                       
CONECT   63   58   58   62  133                                       
CONECT   64   61   71   68   68                                       
CONECT   65    1   66   58  134                                       
CONECT   66   67   65  135  136                                       
CONECT   67   57   66                                                 
CONECT   68   64   64   72   69                                       
CONECT   69   68   70   70                                            
CONECT   70   71   69   69  137                                       
CONECT   71   64   70                                                 
CONECT   72   68  138  139  140                                       
CONECT   73   57  141  142  143                                       
CONECT   74    1                                                      
CONECT   75    3                                                      
CONECT   76    3                                                      
CONECT   77    4                                                      
CONECT   78    5                                                      
CONECT   79    5                                                      
CONECT   80    7                                                      
CONECT   81    7                                                      
CONECT   82    7                                                      
CONECT   83    8                                                      
CONECT   84    8                                                      
CONECT   85    8                                                      
CONECT   86    9                                                      
CONECT   87    9                                                      
CONECT   88   10                                                      
CONECT   89   10                                                      
CONECT   90   10                                                      
CONECT   91   11                                                      
CONECT   92   11                                                      
CONECT   93   12                                                      
CONECT   94   12                                                      
CONECT   95   14                                                      
CONECT   96   16                                                      
CONECT   97   17                                                      
CONECT   98   19                                                      
CONECT   99   21                                                      
CONECT  100   21                                                      
CONECT  101   21                                                      
CONECT  102   26                                                      
CONECT  103   26                                                      
CONECT  104   27                                                      
CONECT  105   27                                                      
CONECT  106   27                                                      
CONECT  107   28                                                      
CONECT  108   28                                                      
CONECT  109   29                                                      
CONECT  110   29                                                      
CONECT  111   30                                                      
CONECT  112   30                                                      
CONECT  113   31                                                      
CONECT  114   31                                                      
CONECT  115   33                                                      
CONECT  116   33                                                      
CONECT  117   34                                                      
CONECT  118   34                                                      
CONECT  119   35                                                      
CONECT  120   36                                                      
CONECT  121   37                                                      
CONECT  122   39                                                      
CONECT  123   40                                                      
CONECT  124   52                                                      
CONECT  125   53                                                      
CONECT  126   54                                                      
CONECT  127   56                                                      
CONECT  128   56                                                      
CONECT  129   57                                                      
CONECT  130   59                                                      
CONECT  131   60                                                      
CONECT  132   62                                                      
CONECT  133   63                                                      
CONECT  134   65                                                      
CONECT  135   66                                                      
CONECT  136   66                                                      
CONECT  137   70                                                      
CONECT  138   72                                                      
CONECT  139   72                                                      
CONECT  140   72                                                      
CONECT  141   73                                                      
CONECT  142   73                                                      
CONECT  143   73                                                      
MASTER        0    0    0    0    0    0    0    0  143    0  143    0
END
