COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.438   3.618   1.570  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.890   4.088   1.459  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.590   2.410   0.401  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.446  -0.040  -0.503  1.00  0.00           C  
HETATM    5  C   UNL     1       0.667   0.681  -0.628  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.483  -1.078  -0.288  1.00  0.00           C  
HETATM    7  C   UNL     1       4.110  -0.649  -0.178  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.444  -1.882   0.855  1.00  0.00           C  
HETATM    9  C   UNL     1       2.648  -0.579  -0.313  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.041   2.881   0.289  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.956   1.670   0.093  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.408   2.140  -0.018  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.805   2.877   1.262  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.148   1.798  -0.930  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.757   1.237  -0.788  1.00  0.00           C  
HETATM   16  C   UNL     1       6.271  -0.055  -0.210  1.00  0.00           C  
HETATM   17  C   UNL     1       6.186  -1.392   0.223  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.502  -1.253  -1.222  1.00  0.00           C  
HETATM   19  C   UNL     1       4.813  -1.738   0.231  1.00  0.00           C  
HETATM   20  C   UNL     1       7.519   0.553  -0.315  1.00  0.00           C  
HETATM   21  C   UNL     1       4.618   1.719  -0.920  1.00  0.00           C  
HETATM   22  C   UNL     1       7.357  -2.093   0.542  1.00  0.00           C  
HETATM   23  C   UNL     1       8.569  -1.477   0.432  1.00  0.00           C  
HETATM   24  C   UNL     1       8.655  -0.157   0.005  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.467  -2.223  -1.016  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.415  -2.850   1.052  1.00  0.00           C  
HETATM   27  C   UNL     1       7.628   1.983  -0.777  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.421  -3.022   0.119  1.00  0.00           C  
HETATM   29  C   UNL     1       9.825  -2.233   0.777  1.00  0.00           C  
HETATM   30  C   UNL     1       4.238   2.576   0.259  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.478  -2.570   2.916  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.389  -1.616  -3.123  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.150  -0.305  -0.421  1.00  0.00           N  
HETATM   34  N   UNL     1       2.052   0.598  -0.586  1.00  0.00           N  
HETATM   35  N   UNL     1       4.990   0.381  -0.452  1.00  0.00           N  
HETATM   36  O   UNL     1      -1.455  -1.714   1.773  1.00  0.00           O  
HETATM   37  O   UNL     1       1.977  -1.584  -0.177  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.463  -2.394  -1.927  1.00  0.00           O  
HETATM   39  O   UNL     1       3.859   3.850   0.069  1.00  0.00           O  
HETATM   40  O   UNL     1       4.274   2.117   1.377  1.00  0.00           O  
HETATM   41  S   UNL     1      -0.255   2.143  -0.967  1.00  0.00           S  
HETATM   42 CL   UNL     1      -5.635  -4.238   0.371  1.00  0.00          Cl  
HETATM   43  H   UNL     1      -4.787   4.480   1.710  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.339   2.945   2.422  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.173   4.613   2.371  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.990   4.760   0.607  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.950   3.260   0.640  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.510   1.662   1.190  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.141   3.553  -0.562  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.673   1.145  -0.819  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.856   0.997   0.945  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.507   2.813  -0.870  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.059   1.278  -0.158  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.705   2.205   2.114  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.839   3.212   1.183  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.835   0.998  -1.207  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.154   2.566  -1.703  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.539  -0.631  -2.104  1.00  0.00           H  
HETATM   59  H   UNL     1       4.399  -2.695   0.512  1.00  0.00           H  
HETATM   60  H   UNL     1       3.770   1.642  -1.602  1.00  0.00           H  
HETATM   61  H   UNL     1       5.463   2.170  -1.440  1.00  0.00           H  
HETATM   62  H   UNL     1       7.299  -3.119   0.876  1.00  0.00           H  
HETATM   63  H   UNL     1       9.622   0.316  -0.076  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.385  -3.472   1.934  1.00  0.00           H  
HETATM   65  H   UNL     1       7.618   2.014  -1.866  1.00  0.00           H  
HETATM   66  H   UNL     1       6.785   2.555  -0.389  1.00  0.00           H  
HETATM   67  H   UNL     1       8.559   2.414  -0.409  1.00  0.00           H  
HETATM   68  H   UNL     1      10.203  -2.736  -0.114  1.00  0.00           H  
HETATM   69  H   UNL     1      10.578  -1.538   1.148  1.00  0.00           H  
HETATM   70  H   UNL     1       9.604  -2.974   1.546  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.411  -2.424   3.461  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.405  -3.609   2.594  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.636  -2.331   3.566  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.322  -0.559  -2.865  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.506  -1.907  -3.692  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.281  -1.787  -3.724  1.00  0.00           H  
HETATM   77  H   UNL     1       2.590   1.387  -0.754  1.00  0.00           H  
HETATM   78  H   UNL     1       3.625   4.360   0.856  1.00  0.00           H  
CONECT    1   10    2   43   44                                       
CONECT    2   13    1   45   46                                       
CONECT    3   14   10   47   48                                       
CONECT    4   15   15   33    6                                       
CONECT    5   34   41   33   33                                       
CONECT    6    4    8    8   18                                       
CONECT    7   35    9   19   19                                       
CONECT    8   36    6    6   26                                       
CONECT    9   37   37    7   34                                       
CONECT   10   11    3    1   49                                       
CONECT   11   12   10   50   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   12    2   54   55                                       
CONECT   14   15    3   56   57                                       
CONECT   15   41   14    4    4                                       
CONECT   16   20   35   17   17                                       
CONECT   17   16   16   22   19                                       
CONECT   18    6   25   25   58                                       
CONECT   19   17    7    7   59                                       
CONECT   20   27   24   24   16                                       
CONECT   21   30   35   60   61                                       
CONECT   22   23   23   17   62                                       
CONECT   23   24   29   22   22                                       
CONECT   24   20   20   23   63                                       
CONECT   25   18   18   28   38                                       
CONECT   26    8   28   28   64                                       
CONECT   27   20   65   66   67                                       
CONECT   28   26   26   25   42                                       
CONECT   29   23   68   69   70                                       
CONECT   30   40   40   39   21                                       
CONECT   31   36   71   72   73                                       
CONECT   32   38   74   75   76                                       
CONECT   33    5    5    4                                            
CONECT   34    9    5   77                                            
CONECT   35   21   16    7                                            
CONECT   36   31    8                                                 
CONECT   37    9    9                                                 
CONECT   38   25   32                                                 
CONECT   39   30   78                                                 
CONECT   40   30   30                                                 
CONECT   41    5   15                                                 
CONECT   42   28                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   34                                                      
CONECT   78   39                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
