COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.316  -0.961   0.259  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.853  -0.741  -1.031  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.512  -0.521  -1.250  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.607  -0.515  -0.192  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.069  -0.733   1.087  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.420  -0.949   1.314  1.00  0.00           C  
HETATM    7  C   UNL     1       0.834  -0.270  -0.513  1.00  0.00           C  
HETATM    8  C   UNL     1       1.710  -0.087   0.736  1.00  0.00           C  
HETATM    9  C   UNL     1       1.276  -1.078   1.819  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.141  -0.739   2.274  1.00  0.00           C  
HETATM   11  C   UNL     1       1.460  -1.519  -1.177  1.00  0.00           C  
HETATM   12  C   UNL     1       2.963  -1.354  -0.864  1.00  0.00           C  
HETATM   13  N   UNL     1       3.072  -0.459   0.298  1.00  0.00           N  
HETATM   14  S   UNL     1       0.989   1.176  -1.597  1.00  0.00           S  
HETATM   15  O   UNL     1      -4.638  -1.179   0.484  1.00  0.00           O  
HETATM   16  O   UNL     1       2.340   1.613  -1.654  1.00  0.00           O  
HETATM   17  O   UNL     1       0.227   0.995  -2.782  1.00  0.00           O  
HETATM   18  C   UNL     1       0.152   2.464  -0.734  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.206   2.648  -0.916  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.863   3.658  -0.239  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.162   4.485   0.621  1.00  0.00           C  
HETATM   22  C   UNL     1       0.198   4.300   0.803  1.00  0.00           C  
HETATM   23  C   UNL     1       0.853   3.286   0.129  1.00  0.00           C  
HETATM   24  F   UNL     1      -1.803   5.473   1.283  1.00  0.00           F  
HETATM   25  C   UNL     1      -5.500  -1.176  -0.655  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.918  -1.433  -0.213  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.396  -2.730  -0.138  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.697  -2.965   0.273  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.517  -1.905   0.609  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.040  -0.609   0.533  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.741  -0.373   0.123  1.00  0.00           C  
HETATM   32  C   UNL     1       4.221  -0.047   0.868  1.00  0.00           C  
HETATM   33  O   UNL     1       4.191   0.618   1.881  1.00  0.00           O  
HETATM   34  C   UNL     1       5.544  -0.413   0.246  1.00  0.00           C  
HETATM   35  C   UNL     1       6.589   0.643   0.613  1.00  0.00           C  
HETATM   36  C   UNL     1       7.933   0.271  -0.019  1.00  0.00           C  
HETATM   37  C   UNL     1       8.382  -1.094   0.504  1.00  0.00           C  
HETATM   38  C   UNL     1       7.337  -2.150   0.137  1.00  0.00           C  
HETATM   39  C   UNL     1       5.994  -1.779   0.769  1.00  0.00           C  
HETATM   40 CL   UNL     1      -7.141   1.254   0.035  1.00  0.00          Cl  
HETATM   41  F   UNL     1      -6.593  -3.766  -0.466  1.00  0.00           F  
HETATM   42  C   UNL     1       9.705  -1.460  -0.118  1.00  0.00           C  
HETATM   43  O   UNL     1      10.234  -0.706  -0.899  1.00  0.00           O  
HETATM   44  O   UNL     1      10.295  -2.624   0.196  1.00  0.00           O  
HETATM   45  H   UNL     1      -3.544  -0.744  -1.862  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.157  -0.351  -2.256  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.775  -1.114   2.321  1.00  0.00           H  
HETATM   48  H   UNL     1       1.666   0.939   1.102  1.00  0.00           H  
HETATM   49  H   UNL     1       1.295  -2.090   1.414  1.00  0.00           H  
HETATM   50  H   UNL     1       1.956  -1.012   2.667  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.145   0.244   2.743  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.478  -1.485   2.994  1.00  0.00           H  
HETATM   53  H   UNL     1       1.070  -2.432  -0.727  1.00  0.00           H  
HETATM   54  H   UNL     1       1.286  -1.512  -2.253  1.00  0.00           H  
HETATM   55  H   UNL     1       3.401  -2.324  -0.627  1.00  0.00           H  
HETATM   56  H   UNL     1       3.474  -0.914  -1.720  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.753   2.003  -1.588  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.924   3.802  -0.382  1.00  0.00           H  
HETATM   59  H   UNL     1       0.747   4.944   1.474  1.00  0.00           H  
HETATM   60  H   UNL     1       1.913   3.138   0.274  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.444  -0.207  -1.151  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.188  -1.957  -1.349  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.070  -3.977   0.332  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.532  -2.089   0.930  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.683   0.218   0.795  1.00  0.00           H  
HETATM   66  H   UNL     1       5.437  -0.456  -0.838  1.00  0.00           H  
HETATM   67  H   UNL     1       6.270   1.616   0.240  1.00  0.00           H  
HETATM   68  H   UNL     1       6.697   0.686   1.697  1.00  0.00           H  
HETATM   69  H   UNL     1       7.825   0.228  -1.102  1.00  0.00           H  
HETATM   70  H   UNL     1       8.677   1.023   0.243  1.00  0.00           H  
HETATM   71  H   UNL     1       8.490  -1.051   1.588  1.00  0.00           H  
HETATM   72  H   UNL     1       7.229  -2.193  -0.947  1.00  0.00           H  
HETATM   73  H   UNL     1       7.657  -3.123   0.510  1.00  0.00           H  
HETATM   74  H   UNL     1       6.101  -1.735   1.852  1.00  0.00           H  
HETATM   75  H   UNL     1       5.249  -2.530   0.507  1.00  0.00           H  
HETATM   76  H   UNL     1      11.143  -2.815  -0.228  1.00  0.00           H  
CONECT    1    2   15    6    6                                       
CONECT    2    3    3    1   45                                       
CONECT    3    2    2    4   46                                       
CONECT    4    3    7    5    5                                       
CONECT    5    4    4    6   10                                       
CONECT    6    1    1    5   47                                       
CONECT    7   14   11    4    8                                       
CONECT    8    7   13    9   48                                       
CONECT    9    8   10   49   50                                       
CONECT   10    5    9   51   52                                       
CONECT   11   12    7   53   54                                       
CONECT   12   11   13   55   56                                       
CONECT   13   12   32    8                                            
CONECT   14   16   16   17   17                                       
CONECT   14    7   18                                                 
CONECT   15   25    1                                                 
CONECT   16   14   14                                                 
CONECT   17   14   14                                                 
CONECT   18   14   23   23   19                                       
CONECT   19   18   20   20   57                                       
CONECT   20   19   19   21   58                                       
CONECT   21   22   22   20   24                                       
CONECT   22   23   21   21   59                                       
CONECT   23   18   18   22   60                                       
CONECT   24   21                                                      
CONECT   25   26   15   61   62                                       
CONECT   26   27   27   31   25                                       
CONECT   27   28   41   26   26                                       
CONECT   28   29   29   27   63                                       
CONECT   29   28   28   30   64                                       
CONECT   30   29   31   31   65                                       
CONECT   31   30   30   26   40                                       
CONECT   32   13   34   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   35   32   39   66                                       
CONECT   35   36   34   67   68                                       
CONECT   36   35   37   69   70                                       
CONECT   37   36   42   38   71                                       
CONECT   38   37   39   72   73                                       
CONECT   39   34   38   74   75                                       
CONECT   40   31                                                      
CONECT   41   27                                                      
CONECT   42   44   43   43   37                                       
CONECT   43   42   42                                                 
CONECT   44   42   76                                                 
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   44                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
