COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.237   3.498  -1.013  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.229   4.031  -0.592  1.00  0.00           O  
HETATM    3  O   UNL     1      -5.334   4.237  -1.265  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.241   5.663  -1.010  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.730   5.978   0.419  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.473   7.330   0.277  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.185   7.187  -1.092  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.166   6.432  -1.970  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.255   2.169  -1.234  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.061   1.365  -0.960  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.039   0.971   0.519  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.348   0.264   0.877  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.862   0.029   0.779  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.887   2.228   1.379  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.087   0.121  -1.810  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.146  -0.401  -2.088  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.342  -2.812  -2.183  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.802  -2.600  -1.082  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.806  -1.671  -3.008  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.304  -1.886  -3.289  1.00  0.00           C  
HETATM   21  C   UNL     1       0.381  -1.025  -2.195  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.592   0.175  -2.090  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.934  -0.410  -2.262  1.00  0.00           N  
HETATM   24  O   UNL     1       1.678  -0.597  -2.618  1.00  0.00           O  
HETATM   25  C   UNL     1       2.567  -0.276  -1.645  1.00  0.00           C  
HETATM   26  C   UNL     1       2.216  -0.340  -0.323  1.00  0.00           C  
HETATM   27  C   UNL     1       3.153  -0.003   0.663  1.00  0.00           C  
HETATM   28  N   UNL     1       4.379   0.380   0.350  1.00  0.00           N  
HETATM   29  C   UNL     1       4.779   0.461  -0.924  1.00  0.00           C  
HETATM   30  C   UNL     1       3.884   0.128  -1.970  1.00  0.00           C  
HETATM   31  C   UNL     1       4.308   0.210  -3.304  1.00  0.00           C  
HETATM   32  C   UNL     1       5.581   0.602  -3.588  1.00  0.00           C  
HETATM   33  C   UNL     1       6.475   0.927  -2.564  1.00  0.00           C  
HETATM   34  C   UNL     1       6.085   0.869  -1.244  1.00  0.00           C  
HETATM   35 BR   UNL     1       7.307   1.313   0.129  1.00  0.00          Br  
HETATM   36  O   UNL     1       7.739   1.315  -2.875  1.00  0.00           O  
HETATM   37  C   UNL     1       8.080   1.367  -4.262  1.00  0.00           C  
HETATM   38  C   UNL     1       2.760  -0.076   2.089  1.00  0.00           C  
HETATM   39  C   UNL     1       3.609   0.233   3.088  1.00  0.00           C  
HETATM   40  S   UNL     1       2.763   0.018   4.618  1.00  0.00           S  
HETATM   41  C   UNL     1       1.313  -0.479   3.750  1.00  0.00           C  
HETATM   42  N   UNL     1       1.541  -0.448   2.475  1.00  0.00           N  
HETATM   43  N   UNL     1       0.110  -0.843   4.341  1.00  0.00           N  
HETATM   44  C   UNL     1      -0.012  -0.831   5.683  1.00  0.00           C  
HETATM   45  O   UNL     1       0.928  -0.504   6.375  1.00  0.00           O  
HETATM   46  C   UNL     1      -1.317  -1.226   6.325  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.189  -1.128   7.846  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.426  -0.287   5.845  1.00  0.00           C  
HETATM   49  N   UNL     1      -2.309  -4.069  -2.670  1.00  0.00           N  
HETATM   50  C   UNL     1      -2.926  -5.162  -1.915  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.444  -5.322  -2.014  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.522  -6.324  -2.713  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.177  -5.792  -0.784  1.00  0.00           C  
HETATM   54  C   UNL     1      -6.103  -5.038  -0.245  1.00  0.00           C  
HETATM   55  C   UNL     1      -2.277  -5.486  -0.594  1.00  0.00           C  
HETATM   56  O   UNL     1      -2.567  -6.505  -0.012  1.00  0.00           O  
HETATM   57  O   UNL     1      -1.378  -4.643  -0.063  1.00  0.00           O  
HETATM   58  H   UNL     1      -4.211   5.998  -1.136  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.412   5.203   0.768  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.884   6.077   1.098  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.200   7.457   1.079  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.766   8.159   0.260  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.101   6.606  -0.986  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.400   8.168  -1.514  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.585   7.141  -2.561  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.685   5.734  -2.628  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.058   1.744  -1.574  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.170   1.947  -1.194  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.456  -0.631   0.265  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.332  -0.017   1.931  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.187   0.935   0.692  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.927   0.561   0.607  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.897  -0.320   1.811  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.924  -0.824   0.104  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.726   2.899   1.194  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.872   1.947   2.432  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.955   2.732   1.123  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.353  -1.604  -3.949  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.037  -2.937  -3.176  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.042  -1.529  -4.285  1.00  0.00           H  
HETATM   81  H   UNL     1       0.439  -1.566  -1.251  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.507   0.648  -1.111  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.388   0.900  -2.878  1.00  0.00           H  
HETATM   84  H   UNL     1       1.221  -0.649  -0.041  1.00  0.00           H  
HETATM   85  H   UNL     1       3.627  -0.039  -4.104  1.00  0.00           H  
HETATM   86  H   UNL     1       5.903   0.663  -4.617  1.00  0.00           H  
HETATM   87  H   UNL     1       7.961   0.377  -4.702  1.00  0.00           H  
HETATM   88  H   UNL     1       7.424   2.073  -4.771  1.00  0.00           H  
HETATM   89  H   UNL     1       9.115   1.691  -4.370  1.00  0.00           H  
HETATM   90  H   UNL     1       4.633   0.557   2.971  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.642  -1.105   3.788  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.564  -2.251   6.046  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.943  -0.103   8.124  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.133  -1.413   8.310  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.399  -1.797   8.188  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.370  -0.573   6.308  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.180   0.738   6.123  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.518  -0.357   4.761  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.878  -4.249  -3.520  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.985  -4.614  -2.641  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.456  -6.273  -3.800  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.445  -7.322  -2.282  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.938  -6.750  -0.346  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.628  -5.375   0.636  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.342  -4.081  -0.683  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.989  -4.894   0.786  1.00  0.00           H  
CONECT    1    9    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    8   58                                       
CONECT    5    4    6   59   60                                       
CONECT    6    5    7   61   62                                       
CONECT    7    6    8   63   64                                       
CONECT    8    4    7   65   66                                       
CONECT    9   10    1   67                                            
CONECT   10   11    9   15   68                                       
CONECT   11   14   13   12   10                                       
CONECT   12   11   69   70   71                                       
CONECT   13   11   72   73   74                                       
CONECT   14   11   75   76   77                                       
CONECT   15   10   16   16   23                                       
CONECT   16   15   15                                                 
CONECT   17   18   18   19   49                                       
CONECT   18   17   17                                                 
CONECT   19   23   17   20   78                                       
CONECT   20   19   21   79   80                                       
CONECT   21   22   20   24   81                                       
CONECT   22   23   21   82   83                                       
CONECT   23   15   22   19                                            
CONECT   24   21   25                                                 
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   84                                       
CONECT   27   26   28   28   38                                       
CONECT   28   27   27   29                                            
CONECT   29   30   28   34   34                                       
CONECT   30   31   31   25   29                                       
CONECT   31   30   30   32   85                                       
CONECT   32   31   33   33   86                                       
CONECT   33   32   32   34   36                                       
CONECT   34   29   29   33   35                                       
CONECT   35   34                                                      
CONECT   36   33   37                                                 
CONECT   37   36   87   88   89                                       
CONECT   38   27   42   39   39                                       
CONECT   39   38   38   40   90                                       
CONECT   40   41   39                                                 
CONECT   41   42   42   43   40                                       
CONECT   42   38   41   41                                            
CONECT   43   41   44   91                                            
CONECT   44   43   46   45   45                                       
CONECT   45   44   44                                                 
CONECT   46   47   44   48   92                                       
CONECT   47   46   93   94   95                                       
CONECT   48   46   96   97   98                                       
CONECT   49   17   50   99                                            
CONECT   50   51   55   52   49                                       
CONECT   51   53   50   52  100                                       
CONECT   52   51   50  101  102                                       
CONECT   53   54   54   51  103                                       
CONECT   54   53   53  104  105                                       
CONECT   55   56   56   50   57                                       
CONECT   56   55   55                                                 
CONECT   57   55  106                                                 
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   12                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   14                                                      
CONECT   77   14                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   26                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   39                                                      
CONECT   91   43                                                      
CONECT   92   46                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   48                                                      
CONECT   98   48                                                      
CONECT   99   49                                                      
CONECT  100   51                                                      
CONECT  101   52                                                      
CONECT  102   52                                                      
CONECT  103   53                                                      
CONECT  104   54                                                      
CONECT  105   54                                                      
CONECT  106   57                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
