COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.652  -3.108   1.773  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.668  -4.748  -0.231  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.407  -3.391  -0.273  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.423  -3.410  -1.795  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.066  -1.605  -1.786  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.132  -0.077  -2.104  1.00  0.00           C  
HETATM    7  C   UNL     1       1.936  -0.955  -1.305  1.00  0.00           C  
HETATM    8  C   UNL     1       3.317  -1.523  -1.509  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.027   5.052   3.302  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.677   4.836   2.887  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.540   3.899   1.817  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.346   2.515   2.385  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.129   1.515   1.976  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.867   0.175   2.511  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.607  -0.890   2.249  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.824  -0.826   1.368  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.207  -2.217   2.858  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.900  -4.466   1.815  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.410  -5.290   0.816  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.648  -6.628   0.851  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.414  -7.122   1.951  1.00  0.00           C  
HETATM   22 CL   UNL     1      -2.090  -5.823  -1.467  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -2.907  -2.573   0.743  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.638  -2.785  -1.277  1.00  0.00           N  
HETATM   25  O   UNL     1      -3.138  -1.154  -1.425  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.257  -0.841  -2.801  1.00  0.00           C  
HETATM   27  O   UNL     1       1.138  -0.736  -2.362  1.00  0.00           O  
HETATM   28  O   UNL     1       1.547  -0.697  -0.191  1.00  0.00           O  
HETATM   29  C   UNL     1       3.214  -3.023  -1.792  1.00  0.00           C  
HETATM   30  N   UNL     1       4.116  -1.308  -0.300  1.00  0.00           N  
HETATM   31  C   UNL     1       3.754  -1.984   0.948  1.00  0.00           C  
HETATM   32  C   UNL     1       5.186  -0.489  -0.337  1.00  0.00           C  
HETATM   33  O   UNL     1       5.486   0.071  -1.370  1.00  0.00           O  
HETATM   34  C   UNL     1       6.008  -0.267   0.906  1.00  0.00           C  
HETATM   35  C   UNL     1       7.154   0.698   0.594  1.00  0.00           C  
HETATM   36  S   UNL     1       8.144   0.965   2.091  1.00  0.00           S  
HETATM   37  S   UNL     1       9.081  -0.840   2.351  1.00  0.00           S  
HETATM   38  C   UNL     1      10.543  -0.698   1.287  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.054   1.362  -2.638  1.00  0.00           C  
HETATM   40  C   UNL     1       1.250   2.083  -2.286  1.00  0.00           C  
HETATM   41  O   UNL     1      -0.580   1.598  -3.946  1.00  0.00           O  
HETATM   42  C   UNL     1      -1.346   2.116  -2.859  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.490   3.622  -2.736  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.552   4.364  -3.683  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.288   4.095  -1.301  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.481   3.659  -0.442  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.318   4.244   0.967  1.00  0.00           C  
HETATM   48  O   UNL     1      -1.148   3.677   1.569  1.00  0.00           O  
HETATM   49  N   UNL     1      -2.142   5.692   0.868  1.00  0.00           N  
HETATM   50  C   UNL     1      -1.582   6.240  -0.222  1.00  0.00           C  
HETATM   51  O   UNL     1      -1.446   7.447  -0.249  1.00  0.00           O  
HETATM   52  O   UNL     1      -1.165   5.535  -1.276  1.00  0.00           O  
HETATM   53  H   UNL     1      -0.681  -4.085  -2.611  1.00  0.00           H  
HETATM   54  H   UNL     1       0.254  -2.639  -2.162  1.00  0.00           H  
HETATM   55  H   UNL     1       0.064  -3.972  -0.998  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.314  -0.052  -1.031  1.00  0.00           H  
HETATM   57  H   UNL     1       3.793  -1.026  -2.353  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.045   5.776   4.116  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.608   5.435   2.463  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.457   4.111   3.642  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.436   3.917   1.196  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.579   2.327   3.120  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.905   1.712   1.260  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.005   0.042   3.169  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.963   0.196   1.015  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.689  -1.490   0.514  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.700  -1.137   1.936  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.081  -2.687   3.309  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.447  -2.051   3.621  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.475  -4.883   2.628  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.531  -8.202   1.858  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.900  -6.891   2.884  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.397  -6.649   1.952  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.695  -1.513   0.722  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.847  -1.511  -3.553  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.919  -0.131  -3.310  1.00  0.00           H  
HETATM   77  H   UNL     1       4.213  -3.434  -1.939  1.00  0.00           H  
HETATM   78  H   UNL     1       2.738  -3.521  -0.947  1.00  0.00           H  
HETATM   79  H   UNL     1       2.619  -3.184  -2.691  1.00  0.00           H  
HETATM   80  H   UNL     1       4.329  -2.905   1.043  1.00  0.00           H  
HETATM   81  H   UNL     1       3.973  -1.330   1.792  1.00  0.00           H  
HETATM   82  H   UNL     1       2.690  -2.220   0.938  1.00  0.00           H  
HETATM   83  H   UNL     1       5.378   0.157   1.688  1.00  0.00           H  
HETATM   84  H   UNL     1       6.418  -1.219   1.245  1.00  0.00           H  
HETATM   85  H   UNL     1       7.784   0.274  -0.188  1.00  0.00           H  
HETATM   86  H   UNL     1       6.745   1.650   0.255  1.00  0.00           H  
HETATM   87  H   UNL     1      10.228  -0.534   0.257  1.00  0.00           H  
HETATM   88  H   UNL     1      11.153   0.143   1.618  1.00  0.00           H  
HETATM   89  H   UNL     1      11.127  -1.616   1.347  1.00  0.00           H  
HETATM   90  H   UNL     1       2.050   1.723  -2.933  1.00  0.00           H  
HETATM   91  H   UNL     1       1.122   3.156  -2.430  1.00  0.00           H  
HETATM   92  H   UNL     1       1.505   1.883  -1.246  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.284   1.572  -2.635  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.525   3.886  -3.024  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.829   4.144  -4.714  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.630   5.436  -3.507  1.00  0.00           H  
HETATM   97  H   UNL     1       0.474   4.040  -3.506  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.382   3.656  -0.883  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.404   4.030  -0.886  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.513   2.572  -0.384  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.973   3.995   2.465  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.426   6.270   1.592  1.00  0.00           H  
CONECT    1   17   18   18   23                                       
CONECT    2   19   19    3   22                                       
CONECT    3   23   23    2   24                                       
CONECT    4   24   53   54   55                                       
CONECT    5   24   26   25   25                                       
CONECT    6   27   39   26   56                                       
CONECT    7    8   28   28   27                                       
CONECT    8   30    7   29   57                                       
CONECT    9   10   58   59   60                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   47   61                                       
CONECT   12   11   13   13   62                                       
CONECT   13   12   12   14   63                                       
CONECT   14   15   15   13   64                                       
CONECT   15   14   14   17   16                                       
CONECT   16   15   65   66   67                                       
CONECT   17   15    1   68   69                                       
CONECT   18    1    1   19   70                                       
CONECT   19   18   20    2    2                                       
CONECT   20   19   21                                                 
CONECT   21   20   71   72   73                                       
CONECT   22    2                                                      
CONECT   23    1    3    3   74                                       
CONECT   24    3    4    5                                            
CONECT   25    5    5                                                 
CONECT   26    6    5   75   76                                       
CONECT   27    7    6                                                 
CONECT   28    7    7                                                 
CONECT   29    8   77   78   79                                       
CONECT   30   31   32    8                                            
CONECT   31   30   80   81   82                                       
CONECT   32   34   30   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   35   32   83   84                                       
CONECT   35   34   36   85   86                                       
CONECT   36   35   37                                                 
CONECT   37   36   38                                                 
CONECT   38   37   87   88   89                                       
CONECT   39    6   40   42   41                                       
CONECT   40   39   90   91   92                                       
CONECT   41   39   42                                                 
CONECT   42   39   43   41   93                                       
CONECT   43   45   42   44   94                                       
CONECT   44   43   95   96   97                                       
CONECT   45   46   52   43   98                                       
CONECT   46   47   45   99  100                                       
CONECT   47   11   48   49   46                                       
CONECT   48   47  101                                                 
CONECT   49   47   50  102                                            
CONECT   50   49   51   51   52                                       
CONECT   51   50   50                                                 
CONECT   52   50   45                                                 
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    6                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   23                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   46                                                      
CONECT  100   46                                                      
CONECT  101   48                                                      
CONECT  102   49                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
