COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -12.303  -3.263  -1.964  1.00  0.00           N  
HETATM    2  C   UNL     1     -12.904  -3.830   0.414  1.00  0.00           C  
HETATM    3  O   UNL     1       8.860   0.733  -0.863  1.00  0.00           O  
HETATM    4  C   UNL     1     -12.101  -3.166  -0.675  1.00  0.00           C  
HETATM    5  C   UNL     1       0.325   0.257  -1.645  1.00  0.00           C  
HETATM    6  C   UNL     1       1.620  -0.345  -1.094  1.00  0.00           C  
HETATM    7  C   UNL     1       2.805   0.531  -1.505  1.00  0.00           C  
HETATM    8  C   UNL     1       4.099  -0.070  -0.954  1.00  0.00           C  
HETATM    9  C   UNL     1       6.484   0.432  -0.973  1.00  0.00           C  
HETATM   10  C   UNL     1       7.651   1.294  -1.378  1.00  0.00           C  
HETATM   11  C   UNL     1      10.012   1.392  -1.140  1.00  0.00           C  
HETATM   12  C   UNL     1       9.985   2.564  -1.896  1.00  0.00           C  
HETATM   13  C   UNL     1      11.155   3.238  -2.179  1.00  0.00           C  
HETATM   14  C   UNL     1      12.374   2.760  -1.718  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.631  -1.980  -1.752  1.00  0.00           C  
HETATM   16  C   UNL     1      12.420   1.599  -0.967  1.00  0.00           C  
HETATM   17  C   UNL     1      13.506   0.823  -0.332  1.00  0.00           C  
HETATM   18  C   UNL     1      13.730  -1.247   1.028  1.00  0.00           C  
HETATM   19  C   UNL     1      14.476  -0.579   2.153  1.00  0.00           C  
HETATM   20  C   UNL     1      16.242  -2.130   2.043  1.00  0.00           C  
HETATM   21  C   UNL     1      15.597  -2.888   0.913  1.00  0.00           C  
HETATM   22  C   UNL     1      14.734  -1.925   0.090  1.00  0.00           C  
HETATM   23  C   UNL     1      11.227   0.908  -0.668  1.00  0.00           C  
HETATM   24  C   UNL     1      11.627  -0.258   0.140  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.832   0.377  -0.134  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.479  -1.056  -2.051  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.977   1.757   0.386  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.362   2.821  -0.272  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.500   4.104   0.216  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.248   4.336   1.358  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.862   3.283   2.015  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.735   1.997   1.532  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.821  -0.715   0.859  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.409  -1.949   0.676  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.338  -1.681   2.921  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.789  -1.827   4.317  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.185  -1.657  -1.500  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.189  -0.608   2.163  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.434   0.617   2.611  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.018  -0.795  -1.905  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.634  -0.293  -1.924  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.339  -0.894  -1.373  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.154  -0.018  -1.784  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.860  -0.619  -1.233  1.00  0.00           C  
HETATM   45  N   UNL     1     -11.430  -2.561  -2.600  1.00  0.00           N  
HETATM   46  N   UNL     1      -5.768  -1.132  -1.530  1.00  0.00           N  
HETATM   47  N   UNL     1       5.234   0.769  -1.348  1.00  0.00           N  
HETATM   48  N   UNL     1      12.965  -0.243   0.284  1.00  0.00           N  
HETATM   49  N   UNL     1      15.655  -1.053   2.584  1.00  0.00           N  
HETATM   50  N   UNL     1      -9.727   0.241  -1.416  1.00  0.00           N  
HETATM   51  N   UNL     1     -11.030  -2.353  -0.508  1.00  0.00           N  
HETATM   52  O   UNL     1      17.313  -2.502   2.472  1.00  0.00           O  
HETATM   53  O   UNL     1      14.003   0.406   2.678  1.00  0.00           O  
HETATM   54  O   UNL     1      14.688   1.101  -0.361  1.00  0.00           O  
HETATM   55  O   UNL     1      10.876  -1.100   0.590  1.00  0.00           O  
HETATM   56  O   UNL     1       6.669  -0.566  -0.309  1.00  0.00           O  
HETATM   57  O   UNL     1      -7.203   0.203  -2.569  1.00  0.00           O  
HETATM   58  S   UNL     1     -10.260  -2.910   2.078  1.00  0.00           S  
HETATM   59 CL   UNL     1     -10.417   5.953   1.968  1.00  0.00          Cl  
HETATM   60  H   UNL     1     -12.473  -4.805   0.640  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.885  -3.208   1.309  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.934  -3.956   0.080  1.00  0.00           H  
HETATM   63  H   UNL     1       0.191   1.261  -1.243  1.00  0.00           H  
HETATM   64  H   UNL     1       0.381   0.305  -2.732  1.00  0.00           H  
HETATM   65  H   UNL     1       1.564  -0.393  -0.006  1.00  0.00           H  
HETATM   66  H   UNL     1       1.754  -1.349  -1.495  1.00  0.00           H  
HETATM   67  H   UNL     1       2.861   0.579  -2.593  1.00  0.00           H  
HETATM   68  H   UNL     1       2.671   1.536  -1.103  1.00  0.00           H  
HETATM   69  H   UNL     1       4.043  -0.118   0.133  1.00  0.00           H  
HETATM   70  H   UNL     1       4.233  -1.075  -1.356  1.00  0.00           H  
HETATM   71  H   UNL     1       7.517   2.299  -0.976  1.00  0.00           H  
HETATM   72  H   UNL     1       7.707   1.343  -2.466  1.00  0.00           H  
HETATM   73  H   UNL     1       9.044   2.946  -2.261  1.00  0.00           H  
HETATM   74  H   UNL     1      11.121   4.144  -2.766  1.00  0.00           H  
HETATM   75  H   UNL     1      13.285   3.294  -1.946  1.00  0.00           H  
HETATM   76  H   UNL     1      13.050  -1.995   1.436  1.00  0.00           H  
HETATM   77  H   UNL     1      16.369  -3.319   0.276  1.00  0.00           H  
HETATM   78  H   UNL     1      14.971  -3.683   1.317  1.00  0.00           H  
HETATM   79  H   UNL     1      14.199  -2.480  -0.680  1.00  0.00           H  
HETATM   80  H   UNL     1      15.369  -1.169  -0.374  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.389  -0.923  -3.129  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.777   2.642  -1.163  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.024   4.929  -0.293  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.444   3.469   2.906  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.214   1.177   2.045  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.056  -2.807   4.711  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.704  -1.728   4.293  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.211  -1.051   4.956  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.241  -1.706  -0.412  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.051  -2.662  -1.902  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.098   1.265   3.183  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.593   0.316   3.237  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.063   1.155   1.739  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.767   0.712  -1.522  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.578  -0.245  -3.011  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.395  -0.942  -0.285  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.205  -1.898  -1.774  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.098   0.030  -2.872  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.288   0.986  -1.382  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.726  -1.624  -1.635  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.915  -0.668  -0.146  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.620  -1.930  -0.998  1.00  0.00           H  
HETATM  103  H   UNL     1       5.086   1.567  -1.880  1.00  0.00           H  
HETATM  104  H   UNL     1      16.100  -0.598   3.317  1.00  0.00           H  
CONECT    1   45    4    4                                            
CONECT    2    4   60   61   62                                       
CONECT    3   10   11                                                 
CONECT    4   51    1    1    2                                       
CONECT    5   44    6   63   64                                       
CONECT    6    5    7   65   66                                       
CONECT    7    8    6   67   68                                       
CONECT    8   47    7   69   70                                       
CONECT    9   10   56   56   47                                       
CONECT   10    9    3   71   72                                       
CONECT   11    3   23   23   12                                       
CONECT   12   11   13   13   73                                       
CONECT   13   12   12   14   74                                       
CONECT   14   16   16   13   75                                       
CONECT   15   26   45   45   51                                       
CONECT   16   23   17   14   14                                       
CONECT   17   48   16   54   54                                       
CONECT   18   19   22   48   76                                       
CONECT   19   49   18   53   53                                       
CONECT   20   21   52   52   49                                       
CONECT   21   20   22   77   78                                       
CONECT   22   21   18   79   80                                       
CONECT   23   24   11   11   16                                       
CONECT   24   55   55   48   23                                       
CONECT   25   27   50   50   33                                       
CONECT   26   50   37   15   81                                       
CONECT   27   32   32   28   25                                       
CONECT   28   29   29   27   82                                       
CONECT   29   30   28   28   83                                       
CONECT   30   59   31   31   29                                       
CONECT   31   30   30   32   84                                       
CONECT   32   31   27   27   85                                       
CONECT   33   25   38   34   34                                       
CONECT   34   33   33   51   58                                       
CONECT   35   38   38   36   58                                       
CONECT   36   35   86   87   88                                       
CONECT   37   40   26   89   90                                       
CONECT   38   39   33   35   35                                       
CONECT   39   38   91   92   93                                       
CONECT   40   46   57   57   37                                       
CONECT   41   42   46   94   95                                       
CONECT   42   43   41   96   97                                       
CONECT   43   44   42   98   99                                       
CONECT   44    5   43  100  101                                       
CONECT   45   15   15    1                                            
CONECT   46   41   40  102                                            
CONECT   47    9    8  103                                            
CONECT   48   18   24   17                                            
CONECT   49   20   19  104                                            
CONECT   50   25   25   26                                            
CONECT   51   15   34    4                                            
CONECT   52   20   20                                                 
CONECT   53   19   19                                                 
CONECT   54   17   17                                                 
CONECT   55   24   24                                                 
CONECT   56    9    9                                                 
CONECT   57   40   40                                                 
CONECT   58   35   34                                                 
CONECT   59   30                                                      
CONECT   60    2                                                      
CONECT   61    2                                                      
CONECT   62    2                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71   10                                                      
CONECT   72   10                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   18                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   22                                                      
CONECT   81   26                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   41                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   44                                                      
CONECT  102   46                                                      
CONECT  103   47                                                      
CONECT  104   49                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
