COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.156   6.952  -0.874  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.418   7.983   1.158  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.106   6.888   1.978  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.852   5.847  -0.075  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.535   3.228   1.228  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.048  -1.073   0.670  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.741   4.551   1.969  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.162   2.089   2.034  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.256  -0.877  -0.014  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.796   0.291   0.410  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.104   0.856  -0.084  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.471   0.170  -1.406  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.891  -1.771  -1.053  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.131  -2.229   0.514  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.650  -2.746  -3.132  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.757  -2.046   0.618  1.00  0.00           C  
HETATM   17  C   UNL     1       0.100  -3.137   0.469  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.429  -4.407   0.217  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.796  -4.578   0.115  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.647  -3.501   0.267  1.00  0.00           C  
HETATM   21  C   UNL     1       1.517  -2.957   0.575  1.00  0.00           C  
HETATM   22  C   UNL     1       2.679  -2.810   0.661  1.00  0.00           C  
HETATM   23  C   UNL     1       4.095  -2.631   0.767  1.00  0.00           C  
HETATM   24  C   UNL     1       4.954  -3.724   0.618  1.00  0.00           C  
HETATM   25  C   UNL     1       6.316  -3.547   0.720  1.00  0.00           C  
HETATM   26  C   UNL     1       6.837  -2.283   0.971  1.00  0.00           C  
HETATM   27  C   UNL     1       5.989  -1.194   1.119  1.00  0.00           C  
HETATM   28  C   UNL     1       4.625  -1.361   1.013  1.00  0.00           C  
HETATM   29  C   UNL     1       8.996  -3.277   0.914  1.00  0.00           C  
HETATM   30  C   UNL     1       6.560   0.173   1.391  1.00  0.00           C  
HETATM   31  C   UNL     1       7.604   2.100   0.361  1.00  0.00           C  
HETATM   32  C   UNL     1       8.083   2.672  -0.948  1.00  0.00           C  
HETATM   33  C   UNL     1       9.379   2.443  -1.370  1.00  0.00           C  
HETATM   34  C   UNL     1       9.818   2.967  -2.571  1.00  0.00           C  
HETATM   35  C   UNL     1       8.961   3.721  -3.351  1.00  0.00           C  
HETATM   36  C   UNL     1       7.665   3.950  -2.929  1.00  0.00           C  
HETATM   37  C   UNL     1       7.224   3.421  -1.730  1.00  0.00           C  
HETATM   38  N   UNL     1      -3.965   0.823   1.325  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.871  -0.043   1.474  1.00  0.00           N  
HETATM   40  N   UNL     1      -6.262  -1.279  -1.273  1.00  0.00           N  
HETATM   41  N   UNL     1      -3.139   5.645   1.195  1.00  0.00           N  
HETATM   42  N   UNL     1       7.038   0.763   0.134  1.00  0.00           N  
HETATM   43  O   UNL     1      -3.106   8.144  -0.085  1.00  0.00           O  
HETATM   44  O   UNL     1      -8.660  -1.561  -0.964  1.00  0.00           O  
HETATM   45  O   UNL     1      -7.115  -3.462  -0.618  1.00  0.00           O  
HETATM   46  O   UNL     1       8.181  -2.114   1.077  1.00  0.00           O  
HETATM   47  S   UNL     1      -7.537  -2.332  -1.369  1.00  0.00           S  
HETATM   48 CL   UNL     1       0.632  -5.768   0.031  1.00  0.00          Cl  
HETATM   49  H   UNL     1      -2.143   6.638  -1.124  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.714   7.145  -1.790  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.442   8.922   1.712  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.383   7.699   0.967  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.551   6.722   2.901  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.124   7.196   2.214  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.882   6.139   0.129  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.842   4.921  -0.650  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.008   3.283   0.247  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.467   3.043   1.107  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.808   4.737   2.090  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.269   4.496   2.949  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.690   2.034   3.014  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.230   2.275   2.155  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.885   0.668   0.653  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.002   1.929  -0.245  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.517   0.368  -1.641  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.838   0.558  -2.205  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.324  -1.720  -1.982  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.919  -2.799  -0.690  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.717  -3.205  -3.458  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.473  -3.443  -3.289  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.829  -1.838  -3.707  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.354  -1.062   0.813  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.202  -5.560  -0.081  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.715  -3.643   0.191  1.00  0.00           H  
HETATM   75  H   UNL     1       4.549  -4.707   0.424  1.00  0.00           H  
HETATM   76  H   UNL     1       6.980  -4.391   0.606  1.00  0.00           H  
HETATM   77  H   UNL     1       3.966  -0.513   1.129  1.00  0.00           H  
HETATM   78  H   UNL     1      10.046  -3.003   1.022  1.00  0.00           H  
HETATM   79  H   UNL     1       8.733  -4.014   1.671  1.00  0.00           H  
HETATM   80  H   UNL     1       8.832  -3.699  -0.078  1.00  0.00           H  
HETATM   81  H   UNL     1       5.788   0.811   1.821  1.00  0.00           H  
HETATM   82  H   UNL     1       7.391   0.087   2.092  1.00  0.00           H  
HETATM   83  H   UNL     1       8.442   2.027   1.054  1.00  0.00           H  
HETATM   84  H   UNL     1       6.839   2.751   0.784  1.00  0.00           H  
HETATM   85  H   UNL     1      10.049   1.854  -0.761  1.00  0.00           H  
HETATM   86  H   UNL     1      10.831   2.789  -2.900  1.00  0.00           H  
HETATM   87  H   UNL     1       9.304   4.131  -4.289  1.00  0.00           H  
HETATM   88  H   UNL     1       6.995   4.539  -3.538  1.00  0.00           H  
HETATM   89  H   UNL     1       6.210   3.597  -1.403  1.00  0.00           H  
HETATM   90  H   UNL     1       7.709   0.159  -0.317  1.00  0.00           H  
CONECT    1   43    4   49   50                                       
CONECT    2   43    3   51   52                                       
CONECT    3    2   41   53   54                                       
CONECT    4    1   41   55   56                                       
CONECT    5    7    8   57   58                                       
CONECT    6   39   39    9   14                                       
CONECT    7   41    5   59   60                                       
CONECT    8    5   38   61   62                                       
CONECT    9   10   10    6   13                                       
CONECT   10   38   11    9    9                                       
CONECT   11   10   12   63   64                                       
CONECT   12   11   40   65   66                                       
CONECT   13    9   40   67   68                                       
CONECT   14    6   16   16   20                                       
CONECT   15   47   69   70   71                                       
CONECT   16   14   14   17   72                                       
CONECT   17   16   21   18   18                                       
CONECT   18   17   17   19   48                                       
CONECT   19   20   20   18   73                                       
CONECT   20   14   19   19   74                                       
CONECT   21   22   22   22   17                                       
CONECT   22   23   21   21   21                                       
CONECT   23   28   28   24   22                                       
CONECT   24   25   25   23   75                                       
CONECT   25   26   24   24   76                                       
CONECT   26   46   27   27   25                                       
CONECT   27   30   26   26   28                                       
CONECT   28   27   23   23   77                                       
CONECT   29   46   78   79   80                                       
CONECT   30   27   42   81   82                                       
CONECT   31   42   32   83   84                                       
CONECT   32   31   37   37   33                                       
CONECT   33   32   34   34   85                                       
CONECT   34   33   33   35   86                                       
CONECT   35   36   36   34   87                                       
CONECT   36   37   35   35   88                                       
CONECT   37   32   32   36   89                                       
CONECT   38    8   39   10                                            
CONECT   39   38    6    6                                            
CONECT   40   12   13   47                                            
CONECT   41    3    4    7                                            
CONECT   42   30   31   90                                            
CONECT   43    2    1                                                 
CONECT   44   47   47                                                 
CONECT   45   47   47                                                 
CONECT   46   29   26                                                 
CONECT   47   40   15   45   45                                       
CONECT   47   44   44                                                 
CONECT   48   18                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   16                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   42                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
