COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.638  -0.507   2.624  1.00  0.00           C  
HETATM    2  S   UNL     1       5.260   0.278   1.112  1.00  0.00           S  
HETATM    3  O   UNL     1       4.473   1.413   0.780  1.00  0.00           O  
HETATM    4  O   UNL     1       6.679   0.351   1.135  1.00  0.00           O  
HETATM    5  N   UNL     1       4.927  -0.815  -0.087  1.00  0.00           N  
HETATM    6  C   UNL     1       3.601  -1.120  -0.406  1.00  0.00           C  
HETATM    7  C   UNL     1       2.616  -0.141  -0.337  1.00  0.00           C  
HETATM    8  C   UNL     1       3.250  -2.407  -0.803  1.00  0.00           C  
HETATM    9 CL   UNL     1       4.470  -3.638  -0.900  1.00  0.00          Cl  
HETATM   10  N   UNL     1       2.001  -2.702  -1.105  1.00  0.00           N  
HETATM   11  C   UNL     1       1.039  -1.802  -1.046  1.00  0.00           C  
HETATM   12  C   UNL     1       1.310  -0.494  -0.664  1.00  0.00           C  
HETATM   13  N   UNL     1       0.284   0.455  -0.609  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.023   0.051  -0.387  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.312  -1.240  -0.331  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.541  -1.667  -0.116  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.586  -0.780   0.061  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.983  -1.290   0.306  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.426  -2.157  -0.876  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.813  -2.735  -0.584  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.769  -3.486   0.632  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.406  -2.716   1.780  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.003  -2.138   1.582  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.340   0.582   0.013  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.031   1.012  -0.216  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.711   2.456  -0.271  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.138   3.270   0.690  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.990   2.943  -1.280  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.704   4.232  -1.329  1.00  0.00           C  
HETATM   30  C   UNL     1       0.112   4.778  -2.473  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.132   5.044  -0.378  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.848   4.565   0.636  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.289   5.414   1.631  1.00  0.00           N  
HETATM   34  H   UNL     1       5.155  -1.454   2.781  1.00  0.00           H  
HETATM   35  H   UNL     1       4.818   0.150   3.475  1.00  0.00           H  
HETATM   36  H   UNL     1       3.568  -0.690   2.526  1.00  0.00           H  
HETATM   37  H   UNL     1       5.653  -1.242  -0.569  1.00  0.00           H  
HETATM   38  H   UNL     1       2.858   0.868  -0.037  1.00  0.00           H  
HETATM   39  H   UNL     1       0.028  -2.084  -1.302  1.00  0.00           H  
HETATM   40  H   UNL     1       0.488   1.396  -0.727  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.735  -2.729  -0.079  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.665  -0.447   0.417  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.468  -1.548  -1.779  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.714  -2.971  -1.019  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.532  -1.922  -0.482  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.116  -3.388  -1.403  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.119  -1.902   1.912  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.415  -3.355   2.663  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.283  -2.951   1.490  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.742  -1.514   2.437  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.140   1.295   0.148  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.554   5.080  -3.281  1.00  0.00           H  
HETATM   53  H   UNL     1       0.684   5.640  -2.131  1.00  0.00           H  
HETATM   54  H   UNL     1       0.794   4.007  -2.832  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.811   5.065   2.371  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.077   6.360   1.591  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    3    3    4    4                                       
CONECT    2    5    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6   37                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6   12   38                                       
CONECT    8    6    9   10   10                                       
CONECT    9    8                                                      
CONECT   10    8    8   11                                            
CONECT   11   12   12   10   39                                       
CONECT   12    7   13   11   11                                       
CONECT   13   14   12   40                                            
CONECT   14   15   15   25   13                                       
CONECT   15   16   14   14                                            
CONECT   16   17   17   15   41                                       
CONECT   17   18   16   16   24                                       
CONECT   18   19   17   23   42                                       
CONECT   19   20   18   43   44                                       
CONECT   20   19   21   45   46                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   47   48                                       
CONECT   23   18   22   49   50                                       
CONECT   24   17   25   25   51                                       
CONECT   25   24   24   14   26                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26   32                                            
CONECT   28   26   29   29                                            
CONECT   29   28   28   31   30                                       
CONECT   30   29   52   53   54                                       
CONECT   31   32   32   29                                            
CONECT   32   27   33   31   31                                       
CONECT   33   32   55   56                                            
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   33                                                      
CONECT   56   33                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
