COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.930  -1.088   1.641  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.523  -0.846   2.124  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.772  -0.037   1.099  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.993  -0.302   1.864  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.767  -2.022   0.628  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.391  -2.222   0.834  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.341  -0.301   1.294  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.491  -2.947  -0.113  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.860  -4.053  -0.642  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.498  -4.254  -0.440  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.761  -3.344   0.295  1.00  0.00           C  
HETATM   12  C   UNL     1       1.245   1.089   0.322  1.00  0.00           C  
HETATM   13  C   UNL     1       2.673   1.333   0.812  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.721   0.729   0.306  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.959   1.368   0.401  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.308   2.329  -0.524  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.434   2.661  -1.546  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.205   2.030  -1.646  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.842   1.071  -0.724  1.00  0.00           C  
HETATM   20  C   UNL     1       5.979   1.619   0.645  1.00  0.00           C  
HETATM   21  C   UNL     1       6.409   0.704  -0.332  1.00  0.00           C  
HETATM   22  C   UNL     1       7.348  -0.296   0.019  1.00  0.00           C  
HETATM   23  C   UNL     1       7.832  -0.356   1.336  1.00  0.00           C  
HETATM   24  C   UNL     1       7.394   0.546   2.256  1.00  0.00           C  
HETATM   25  C   UNL     1       6.470   1.531   1.912  1.00  0.00           C  
HETATM   26  C   UNL     1       5.923   0.765  -1.649  1.00  0.00           C  
HETATM   27  C   UNL     1       6.356  -0.134  -2.576  1.00  0.00           C  
HETATM   28  C   UNL     1       7.278  -1.122  -2.243  1.00  0.00           C  
HETATM   29  C   UNL     1       7.780  -1.214  -0.962  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.971   0.980   2.654  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.709  -6.249  -1.717  1.00  0.00           C  
HETATM   32  C   UNL     1       8.142  -3.544  -0.868  1.00  0.00           C  
HETATM   33  C   UNL     1       9.954  -2.025  -1.389  1.00  0.00           C  
HETATM   34  N   UNL     1       0.514   0.301   1.318  1.00  0.00           N  
HETATM   35  N   UNL     1      -5.106  -0.840   1.264  1.00  0.00           N  
HETATM   36  N   UNL     1       3.404   2.120  -0.184  1.00  0.00           N  
HETATM   37  N   UNL     1       8.704  -2.206  -0.639  1.00  0.00           N  
HETATM   38  O   UNL     1      -1.324   0.310   0.077  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.141  -0.663   2.133  1.00  0.00           O  
HETATM   40  O   UNL     1       4.552   3.589   1.432  1.00  0.00           O  
HETATM   41  O   UNL     1       5.302   3.498  -0.951  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.889  -5.349  -0.968  1.00  0.00           O  
HETATM   43  S   UNL     1       4.817   2.876   0.231  1.00  0.00           S  
HETATM   44 CL   UNL     1      -7.881   3.871  -2.707  1.00  0.00          Cl  
HETATM   45  H   UNL     1      -1.551  -0.302   3.068  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.021  -1.803   2.272  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.549  -2.801  -0.275  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.427  -4.769  -1.217  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.704  -3.501   0.450  1.00  0.00           H  
HETATM   50  H   UNL     1       0.742   2.045   0.174  1.00  0.00           H  
HETATM   51  H   UNL     1       1.273   0.544  -0.622  1.00  0.00           H  
HETATM   52  H   UNL     1       2.645   1.878   1.756  1.00  0.00           H  
HETATM   53  H   UNL     1       3.176   0.377   0.959  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.642   1.110   1.197  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.266   2.824  -0.451  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.528   2.292  -2.445  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.883   0.581  -0.802  1.00  0.00           H  
HETATM   58  H   UNL     1       8.548  -1.114   1.617  1.00  0.00           H  
HETATM   59  H   UNL     1       7.767   0.498   3.269  1.00  0.00           H  
HETATM   60  H   UNL     1       6.139   2.235   2.661  1.00  0.00           H  
HETATM   61  H   UNL     1       5.206   1.524  -1.926  1.00  0.00           H  
HETATM   62  H   UNL     1       5.977  -0.080  -3.586  1.00  0.00           H  
HETATM   63  H   UNL     1       7.605  -1.822  -2.997  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.757   1.815   1.987  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.942   1.132   3.127  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.199   0.921   3.421  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.101  -7.077  -2.082  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.503  -6.635  -1.078  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.148  -5.721  -2.564  1.00  0.00           H  
HETATM   70  H   UNL     1       7.869  -3.648  -1.918  1.00  0.00           H  
HETATM   71  H   UNL     1       8.883  -4.299  -0.608  1.00  0.00           H  
HETATM   72  H   UNL     1       7.255  -3.677  -0.248  1.00  0.00           H  
HETATM   73  H   UNL     1      10.385  -1.054  -1.147  1.00  0.00           H  
HETATM   74  H   UNL     1      10.657  -2.812  -1.117  1.00  0.00           H  
HETATM   75  H   UNL     1       9.747  -2.075  -2.458  1.00  0.00           H  
HETATM   76  H   UNL     1       0.956   0.024   2.136  1.00  0.00           H  
HETATM   77  H   UNL     1       3.059   2.198  -1.088  1.00  0.00           H  
CONECT    1    4    4    6    2                                       
CONECT    2    1    3   45   46                                       
CONECT    3   38   38    2   34                                       
CONECT    4   30   35    1    1                                       
CONECT    5   35    8    8    6                                       
CONECT    6    5    1   11   11                                       
CONECT    7   14   39   39   35                                       
CONECT    8    5    5    9   47                                       
CONECT    9    8   10   10   48                                       
CONECT   10    9    9   11   42                                       
CONECT   11    6    6   10   49                                       
CONECT   12   13   34   50   51                                       
CONECT   13   12   36   52   53                                       
CONECT   14   15   15   19    7                                       
CONECT   15   16   14   14   54                                       
CONECT   16   17   17   15   55                                       
CONECT   17   44   16   16   18                                       
CONECT   18   17   19   19   56                                       
CONECT   19   18   18   14   57                                       
CONECT   20   43   25   25   21                                       
CONECT   21   20   26   26   22                                       
CONECT   22   21   23   29   29                                       
CONECT   23   24   24   22   58                                       
CONECT   24   25   23   23   59                                       
CONECT   25   20   20   24   60                                       
CONECT   26   21   21   27   61                                       
CONECT   27   26   28   28   62                                       
CONECT   28   27   27   29   63                                       
CONECT   29   22   22   28   37                                       
CONECT   30    4   64   65   66                                       
CONECT   31   42   67   68   69                                       
CONECT   32   37   70   71   72                                       
CONECT   33   37   73   74   75                                       
CONECT   34    3   12   76                                            
CONECT   35    7    4    5                                            
CONECT   36   43   13   77                                            
CONECT   37   29   32   33                                            
CONECT   38    3    3                                                 
CONECT   39    7    7                                                 
CONECT   40   43   43                                                 
CONECT   41   43   43                                                 
CONECT   42   10   31                                                 
CONECT   43   40   40   41   41                                       
CONECT   43   36   20                                                 
CONECT   44   17                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   36                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
