COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.892  -0.798  -0.026  1.00  0.00           C  
HETATM    2  C   UNL     1       6.339  -0.601  -1.890  1.00  0.00           C  
HETATM    3  C   UNL     1       7.456   0.265  -2.481  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.886  -3.599   0.107  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.022  -4.647   0.354  1.00  0.00           C  
HETATM    6  C   UNL     1       0.544  -3.145   1.148  1.00  0.00           C  
HETATM    7  C   UNL     1       2.805  -2.240   1.081  1.00  0.00           C  
HETATM    8  C   UNL     1       4.028  -2.849   0.839  1.00  0.00           C  
HETATM    9  C   UNL     1       5.074  -2.134   0.292  1.00  0.00           C  
HETATM   10  C   UNL     1       8.213   0.825  -0.278  1.00  0.00           C  
HETATM   11  C   UNL     1       7.105  -0.035   0.335  1.00  0.00           C  
HETATM   12  C   UNL     1       3.667  -0.178   0.202  1.00  0.00           C  
HETATM   13  C   UNL     1       2.593   1.899   0.681  1.00  0.00           C  
HETATM   14  C   UNL     1       3.048   3.359   0.728  1.00  0.00           C  
HETATM   15  C   UNL     1       2.280   4.170  -0.316  1.00  0.00           C  
HETATM   16  C   UNL     1       1.196   4.997   0.376  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.183   4.462  -0.015  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.243   5.045   0.922  1.00  0.00           C  
HETATM   19  C   UNL     1       2.619  -0.903   0.744  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.474  -2.295   0.420  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.410  -1.194   0.182  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.656  -1.318  -0.351  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.691   0.820   0.394  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.131   1.120  -0.025  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.367   0.890   0.024  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.458   2.274   0.127  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.405   2.988   0.668  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.266   2.331   1.127  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.161   0.973   1.023  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.201   0.235   0.459  1.00  0.00           C  
HETATM   31  N   UNL     1       0.163  -4.384   0.877  1.00  0.00           N  
HETATM   32  N   UNL     1       1.795  -2.974   1.724  1.00  0.00           N  
HETATM   33  N   UNL     1       5.952  -0.063  -0.578  1.00  0.00           N  
HETATM   34  N   UNL     1      -0.255  -2.111   0.929  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.242  -0.092  -0.445  1.00  0.00           N  
HETATM   36  O   UNL     1       8.555   0.306  -1.567  1.00  0.00           O  
HETATM   37  O   UNL     1       3.516   1.139  -0.098  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.476   4.343   0.749  1.00  0.00           O  
HETATM   39  O   UNL     1      -6.240  -1.098  -1.405  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.584   1.212  -2.002  1.00  0.00           O  
HETATM   41  S   UNL     1      -5.765   0.189  -1.032  1.00  0.00           S  
HETATM   42 CL   UNL     1      -3.454  -3.890  -0.579  1.00  0.00          Cl  
HETATM   43  H   UNL     1       5.477  -0.588  -2.557  1.00  0.00           H  
HETATM   44  H   UNL     1       6.695  -1.624  -1.774  1.00  0.00           H  
HETATM   45  H   UNL     1       7.785  -0.163  -3.428  1.00  0.00           H  
HETATM   46  H   UNL     1       7.083   1.275  -2.648  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.308  -5.663   0.123  1.00  0.00           H  
HETATM   48  H   UNL     1       4.165  -3.891   1.090  1.00  0.00           H  
HETATM   49  H   UNL     1       6.026  -2.612   0.114  1.00  0.00           H  
HETATM   50  H   UNL     1       7.863   1.852  -0.381  1.00  0.00           H  
HETATM   51  H   UNL     1       9.091   0.802   0.367  1.00  0.00           H  
HETATM   52  H   UNL     1       7.473  -1.050   0.487  1.00  0.00           H  
HETATM   53  H   UNL     1       6.801   0.390   1.291  1.00  0.00           H  
HETATM   54  H   UNL     1       2.555   1.498   1.694  1.00  0.00           H  
HETATM   55  H   UNL     1       1.603   1.841   0.230  1.00  0.00           H  
HETATM   56  H   UNL     1       2.855   3.768   1.719  1.00  0.00           H  
HETATM   57  H   UNL     1       4.116   3.413   0.516  1.00  0.00           H  
HETATM   58  H   UNL     1       2.968   4.836  -0.837  1.00  0.00           H  
HETATM   59  H   UNL     1       1.817   3.493  -1.034  1.00  0.00           H  
HETATM   60  H   UNL     1       1.320   4.927   1.457  1.00  0.00           H  
HETATM   61  H   UNL     1       1.282   6.040   0.068  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.406   4.751  -1.042  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.186   3.375   0.065  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.909   4.944   1.954  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.391   6.100   0.690  1.00  0.00           H  
HETATM   66  H   UNL     1       1.661  -0.431   0.909  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.112  -2.249  -0.655  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.220   1.734   0.757  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.692   0.072   1.187  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.130   1.869  -0.817  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.602   0.207  -0.388  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.687   1.500   0.832  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.345   2.787  -0.212  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.460   2.898   1.568  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.273   0.470   1.378  1.00  0.00           H  
HETATM   76  H   UNL     1       1.976  -3.370   2.591  1.00  0.00           H  
CONECT    1   12   12    9   33                                       
CONECT    2   33    3   43   44                                       
CONECT    3    2   36   45   46                                       
CONECT    4   42    5    5   20                                       
CONECT    5    4    4   31   47                                       
CONECT    6   31   31   34   32                                       
CONECT    7   32   19   19    8                                       
CONECT    8    7    9    9   48                                       
CONECT    9    8    8    1   49                                       
CONECT   10   11   36   50   51                                       
CONECT   11   33   10   52   53                                       
CONECT   12   19   37    1    1                                       
CONECT   13   14   37   54   55                                       
CONECT   14   15   13   56   57                                       
CONECT   15   16   14   58   59                                       
CONECT   16   17   15   60   61                                       
CONECT   17   18   16   62   63                                       
CONECT   18   38   17   64   65                                       
CONECT   19    7    7   12   66                                       
CONECT   20    4   21   34   34                                       
CONECT   21   22   22   20   30                                       
CONECT   22   35   21   21   67                                       
CONECT   23   41   24   68   69                                       
CONECT   24   23   70   71   72                                       
CONECT   25   35   26   26   30                                       
CONECT   26   25   25   27   73                                       
CONECT   27   26   38   28   28                                       
CONECT   28   27   27   29   74                                       
CONECT   29   30   30   28   75                                       
CONECT   30   25   21   29   29                                       
CONECT   31    5    6    6                                            
CONECT   32    6    7   76                                            
CONECT   33    1   11    2                                            
CONECT   34   20   20    6                                            
CONECT   35   41   22   25                                            
CONECT   36   10    3                                                 
CONECT   37   13   12                                                 
CONECT   38   27   18                                                 
CONECT   39   41   41                                                 
CONECT   40   41   41                                                 
CONECT   41   40   40   39   39                                       
CONECT   41   23   35                                                 
CONECT   42    4                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   32                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
