COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.668   4.545  -2.152  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.444   3.878  -1.014  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.427   4.788   0.216  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.891   3.642  -1.453  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.801   2.559  -0.672  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.608   2.392   0.037  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.367   1.056   0.139  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.276   0.460   0.773  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.337   1.227   1.361  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.440   2.438   1.338  1.00  0.00           O  
HETATM   11  N   UNL     1      -2.283   0.652   1.973  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.262   1.485   2.612  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.202   0.604   3.220  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.218   0.335   4.574  1.00  0.00           C  
HETATM   15  C   UNL     1       0.755  -0.473   5.132  1.00  0.00           C  
HETATM   16  C   UNL     1       1.748  -1.016   4.337  1.00  0.00           C  
HETATM   17  C   UNL     1       1.771  -0.752   2.982  1.00  0.00           C  
HETATM   18  C   UNL     1       0.791   0.056   2.416  1.00  0.00           C  
HETATM   19  S   UNL     1       0.812   0.389   0.686  1.00  0.00           S  
HETATM   20  C   UNL     1       2.119  -0.636   0.101  1.00  0.00           C  
HETATM   21  C   UNL     1       1.989  -2.040   0.151  1.00  0.00           C  
HETATM   22  C   UNL     1       3.001  -2.827  -0.302  1.00  0.00           C  
HETATM   23  C   UNL     1       4.166  -2.228  -0.816  1.00  0.00           C  
HETATM   24  N   UNL     1       5.292  -2.715  -1.318  1.00  0.00           N  
HETATM   25  N   UNL     1       6.069  -1.748  -1.658  1.00  0.00           N  
HETATM   26  C   UNL     1       5.495  -0.590  -1.397  1.00  0.00           C  
HETATM   27  C   UNL     1       6.069   0.748  -1.645  1.00  0.00           C  
HETATM   28  C   UNL     1       5.305   1.734  -2.270  1.00  0.00           C  
HETATM   29  C   UNL     1       5.847   2.982  -2.500  1.00  0.00           C  
HETATM   30  C   UNL     1       7.147   3.262  -2.113  1.00  0.00           C  
HETATM   31  C   UNL     1       7.915   2.294  -1.494  1.00  0.00           C  
HETATM   32  C   UNL     1       7.384   1.036  -1.249  1.00  0.00           C  
HETATM   33  S   UNL     1       8.359  -0.197  -0.452  1.00  0.00           S  
HETATM   34  C   UNL     1       9.932   0.656  -0.155  1.00  0.00           C  
HETATM   35  C   UNL     1      10.904  -0.296   0.543  1.00  0.00           C  
HETATM   36  O   UNL     1      12.143   0.375   0.778  1.00  0.00           O  
HETATM   37  N   UNL     1       4.268  -0.859  -0.854  1.00  0.00           N  
HETATM   38  C   UNL     1       3.247  -0.074  -0.403  1.00  0.00           C  
HETATM   39  N   UNL     1      -6.384   0.408  -0.492  1.00  0.00           N  
HETATM   40  N   UNL     1      -7.268   1.377  -0.984  1.00  0.00           N  
HETATM   41  C   UNL     1      -6.524  -0.982  -0.621  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.787  -1.557  -0.592  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.926  -2.925  -0.721  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.803  -3.725  -0.878  1.00  0.00           C  
HETATM   45  O   UNL     1      -6.941  -5.072  -1.005  1.00  0.00           O  
HETATM   46  C   UNL     1      -5.540  -3.150  -0.907  1.00  0.00           C  
HETATM   47 CL   UNL     1      -4.135  -4.151  -1.105  1.00  0.00          Cl  
HETATM   48  C   UNL     1      -5.401  -1.781  -0.784  1.00  0.00           C  
HETATM   49  H   UNL     1      -5.638   4.713  -1.839  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.681   3.897  -3.028  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.134   5.499  -2.399  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.892   5.742  -0.031  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.980   4.313   1.027  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.397   4.957   0.529  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.903   2.994  -2.329  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.443   3.167  -0.642  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.356   4.596  -1.700  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.988   3.182   0.434  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.194  -0.506   0.791  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.201  -0.315   1.992  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.809   2.139   1.867  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.723   2.090   3.393  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.992   0.758   5.198  1.00  0.00           H  
HETATM   64  H   UNL     1       0.740  -0.681   6.192  1.00  0.00           H  
HETATM   65  H   UNL     1       2.507  -1.646   4.777  1.00  0.00           H  
HETATM   66  H   UNL     1       2.547  -1.176   2.362  1.00  0.00           H  
HETATM   67  H   UNL     1       1.090  -2.487   0.548  1.00  0.00           H  
HETATM   68  H   UNL     1       3.338   1.002  -0.443  1.00  0.00           H  
HETATM   69  H   UNL     1       2.911  -3.903  -0.267  1.00  0.00           H  
HETATM   70  H   UNL     1       4.291   1.521  -2.574  1.00  0.00           H  
HETATM   71  H   UNL     1       5.254   3.745  -2.983  1.00  0.00           H  
HETATM   72  H   UNL     1       7.563   4.241  -2.297  1.00  0.00           H  
HETATM   73  H   UNL     1       8.928   2.520  -1.195  1.00  0.00           H  
HETATM   74  H   UNL     1      10.357   0.976  -1.106  1.00  0.00           H  
HETATM   75  H   UNL     1       9.759   1.527   0.477  1.00  0.00           H  
HETATM   76  H   UNL     1      10.479  -0.617   1.495  1.00  0.00           H  
HETATM   77  H   UNL     1      11.077  -1.167  -0.089  1.00  0.00           H  
HETATM   78  H   UNL     1      12.809  -0.170   1.219  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.662  -0.935  -0.469  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.419  -1.333  -0.811  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.909  -3.373  -0.698  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.040  -5.373  -1.918  1.00  0.00           H  
CONECT    1    2   49   50   51                                       
CONECT    2    1    3    4    5                                       
CONECT    3    2   52   53   54                                       
CONECT    4    2   55   56   57                                       
CONECT    5    2    6   40   40                                       
CONECT    6    5    7    7   58                                       
CONECT    7    6    6    8   39                                       
CONECT    8    7    9   59                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   60                                            
CONECT   12   11   13   61   62                                       
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   15   63                                       
CONECT   15   14   14   16   64                                       
CONECT   16   15   17   17   65                                       
CONECT   17   16   16   18   66                                       
CONECT   18   13   13   17   19                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   38   38                                       
CONECT   21   20   22   22   67                                       
CONECT   22   21   21   23   69                                       
CONECT   23   22   24   24   37                                       
CONECT   24   23   23   25                                            
CONECT   25   24   26   26                                            
CONECT   26   25   25   27   37                                       
CONECT   27   26   28   32   32                                       
CONECT   28   27   29   29   70                                       
CONECT   29   28   28   30   71                                       
CONECT   30   29   31   31   72                                       
CONECT   31   30   30   32   73                                       
CONECT   32   27   27   31   33                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   74   75                                       
CONECT   35   34   36   76   77                                       
CONECT   36   35   78                                                 
CONECT   37   23   26   38                                            
CONECT   38   20   20   37   68                                       
CONECT   39    7   40   41                                            
CONECT   40    5    5   39                                            
CONECT   41   39   42   48   48                                       
CONECT   42   41   43   43   79                                       
CONECT   43   42   42   44   81                                       
CONECT   44   43   45   46   46                                       
CONECT   45   44   82                                                 
CONECT   46   44   44   47   48                                       
CONECT   47   46                                                      
CONECT   48   41   41   46   80                                       
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    6                                                      
CONECT   59    8                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   21                                                      
CONECT   68   38                                                      
CONECT   69   22                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   42                                                      
CONECT   80   48                                                      
CONECT   81   43                                                      
CONECT   82   45                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
