COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.605   1.109  -1.402  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.862   1.303   2.891  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.375   4.198   1.867  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.767  -2.814   0.008  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.119  -0.915  -1.579  1.00  0.00           O  
HETATM    6 CL   UNL     1      -1.696  -3.054   1.526  1.00  0.00          Cl  
HETATM    7 CL   UNL     1      -2.399   0.692  -2.302  1.00  0.00          Cl  
HETATM    8  C   UNL     1       3.172  -1.123   0.404  1.00  0.00           C  
HETATM    9  C   UNL     1       2.322  -0.413  -0.438  1.00  0.00           C  
HETATM   10  C   UNL     1       0.329  -1.627   0.441  1.00  0.00           C  
HETATM   11  C   UNL     1       0.015   0.044  -1.268  1.00  0.00           C  
HETATM   12  C   UNL     1       4.229   0.750  -1.283  1.00  0.00           C  
HETATM   13  C   UNL     1       8.550  -0.491   0.535  1.00  0.00           C  
HETATM   14  C   UNL     1       8.231   1.801  -0.175  1.00  0.00           C  
HETATM   15  C   UNL     1       7.033  -0.684   0.595  1.00  0.00           C  
HETATM   16  C   UNL     1       6.714   1.608  -0.115  1.00  0.00           C  
HETATM   17  N   UNL     1       4.471  -0.899   0.393  1.00  0.00           N  
HETATM   18  N   UNL     1      -4.600   2.897   0.042  1.00  0.00           N  
HETATM   19  N   UNL     1       8.873   0.916   0.808  1.00  0.00           N  
HETATM   20  N   UNL     1      -4.246  -0.547   0.858  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.829   1.636  -0.223  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.629   1.702   1.656  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.033  -1.862   0.453  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.344  -0.198  -1.249  1.00  0.00           C  
HETATM   25  C   UNL     1       2.863   0.545  -1.302  1.00  0.00           C  
HETATM   26  C   UNL     1       5.016   0.001  -0.412  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.229   0.859   0.778  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.868  -1.149  -0.390  1.00  0.00           C  
HETATM   29  N   UNL     1       6.391   0.200  -0.387  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.846   2.971   1.220  1.00  0.00           N  
HETATM   31  C   UNL     1       0.860  -0.670  -0.422  1.00  0.00           C  
HETATM   32  S   UNL     1      -3.603  -1.454  -0.369  1.00  0.00           S  
HETATM   33  H   UNL     1      -4.944   1.026  -2.265  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.011   0.127  -1.160  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.421   1.793  -1.635  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.811   1.166   2.637  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.954   2.086   3.644  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.266   0.371   3.284  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.124   4.543   2.580  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.441   3.997   2.391  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.210   4.967   1.112  1.00  0.00           H  
HETATM   42  H   UNL     1       2.764  -1.862   1.077  1.00  0.00           H  
HETATM   43  H   UNL     1       2.229   1.112  -1.968  1.00  0.00           H  
HETATM   44  H   UNL     1       0.979  -2.181   1.102  1.00  0.00           H  
HETATM   45  H   UNL     1       0.423   0.786  -1.939  1.00  0.00           H  
HETATM   46  H   UNL     1       4.681   1.482  -1.936  1.00  0.00           H  
HETATM   47  H   UNL     1       9.027  -1.125   1.283  1.00  0.00           H  
HETATM   48  H   UNL     1       8.913  -0.762  -0.456  1.00  0.00           H  
HETATM   49  H   UNL     1       6.789  -1.721   0.365  1.00  0.00           H  
HETATM   50  H   UNL     1       6.674  -0.439   1.595  1.00  0.00           H  
HETATM   51  H   UNL     1       8.614   1.172   1.748  1.00  0.00           H  
HETATM   52  H   UNL     1       8.590   1.556  -1.174  1.00  0.00           H  
HETATM   53  H   UNL     1       8.475   2.838   0.055  1.00  0.00           H  
HETATM   54  H   UNL     1       6.351   1.879   0.877  1.00  0.00           H  
HETATM   55  H   UNL     1       6.237   2.242  -0.863  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.634  -0.984   1.632  1.00  0.00           H  
CONECT    1   21   33   34   35                                       
CONECT    2   22   36   37   38                                       
CONECT    3   30   39   40   41                                       
CONECT    4   32   32                                                 
CONECT    5   32   32                                                 
CONECT    6   23                                                      
CONECT    7   24                                                      
CONECT    8    9   17   17   42                                       
CONECT    9    8   25   25   31                                       
CONECT   10   23   31   31   44                                       
CONECT   11   24   24   31   45                                       
CONECT   12   25   26   26   46                                       
CONECT   13   15   19   47   48                                       
CONECT   14   16   19   52   53                                       
CONECT   15   13   29   49   50                                       
CONECT   16   14   29   54   55                                       
CONECT   17    8    8   26                                            
CONECT   18   21   21   30                                            
CONECT   19   13   14   51                                            
CONECT   20   27   32   56                                            
CONECT   21    1   18   18   27                                       
CONECT   22    2   27   27   30                                       
CONECT   23    6   10   28   28                                       
CONECT   24    7   11   11   28                                       
CONECT   25    9    9   12   43                                       
CONECT   26   12   12   17   29                                       
CONECT   27   20   21   22   22                                       
CONECT   28   23   23   24   32                                       
CONECT   29   15   16   26                                            
CONECT   30    3   18   22                                            
CONECT   31    9   10   10   11                                       
CONECT   32    4    4    5    5                                       
CONECT   32   20   28                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    8                                                      
CONECT   43   25                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   19                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   20                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
