COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.176   0.308  -0.483  1.00  0.00           O  
HETATM    2  S   UNL     1       7.374  -0.840  -0.244  1.00  0.00           S  
HETATM    3  O   UNL     1       7.399  -1.992  -1.076  1.00  0.00           O  
HETATM    4  N   UNL     1       7.743  -1.359   1.284  1.00  0.00           N  
HETATM    5  C   UNL     1       5.703  -0.283  -0.217  1.00  0.00           C  
HETATM    6  C   UNL     1       5.421   1.038   0.078  1.00  0.00           C  
HETATM    7  C   UNL     1       4.111   1.478   0.100  1.00  0.00           C  
HETATM    8 CL   UNL     1       3.757   3.137   0.471  1.00  0.00          Cl  
HETATM    9  C   UNL     1       4.676  -1.166  -0.496  1.00  0.00           C  
HETATM   10  C   UNL     1       3.365  -0.733  -0.477  1.00  0.00           C  
HETATM   11  C   UNL     1       3.077   0.591  -0.175  1.00  0.00           C  
HETATM   12  N   UNL     1       1.749   1.034  -0.154  1.00  0.00           N  
HETATM   13  C   UNL     1       0.751   0.158   0.073  1.00  0.00           C  
HETATM   14  O   UNL     1       1.007  -0.992   0.361  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.684   0.607  -0.032  1.00  0.00           C  
HETATM   16  S   UNL     1      -1.781  -0.788   0.326  1.00  0.00           S  
HETATM   17  C   UNL     1      -3.347  -0.003   0.137  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.404   1.175  -0.160  1.00  0.00           O  
HETATM   19  N   UNL     1      -4.481  -0.707   0.322  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.426  -2.105   0.772  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.731  -0.117   0.093  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.812   1.263  -0.052  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.877  -0.892   0.010  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.829  -2.388   0.170  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.413  -2.911  -0.083  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.099  -0.282  -0.223  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.177   1.089  -0.367  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.511   1.744  -0.620  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.034   1.863  -0.281  1.00  0.00           C  
HETATM   30  H   UNL     1       7.075  -1.315   1.986  1.00  0.00           H  
HETATM   31  H   UNL     1       8.627  -1.708   1.478  1.00  0.00           H  
HETATM   32  H   UNL     1       6.225   1.726   0.292  1.00  0.00           H  
HETATM   33  H   UNL     1       4.900  -2.197  -0.731  1.00  0.00           H  
HETATM   34  H   UNL     1       2.564  -1.424  -0.695  1.00  0.00           H  
HETATM   35  H   UNL     1       1.548   1.971  -0.303  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.868   1.407   0.685  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.878   0.971  -1.041  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.418  -2.497   0.639  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.712  -2.166   1.822  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.919   1.867   0.016  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.128  -2.651   1.185  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.517  -2.849  -0.538  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.165  -2.792  -1.138  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.357  -3.965   0.191  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.995  -0.882  -0.291  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.976   2.000   0.332  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.366   2.649  -1.209  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.156   1.055  -1.165  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.098   2.936  -0.392  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    5    1    1                                       
CONECT    2    3    3                                                 
CONECT    3    2    2                                                 
CONECT    4    2   30   31                                            
CONECT    5    9    2    6    6                                       
CONECT    6    5    5    7   32                                       
CONECT    7   11   11    6    8                                       
CONECT    8    7                                                      
CONECT    9   10   10    5   33                                       
CONECT   10    9    9   11   34                                       
CONECT   11   10   12    7    7                                       
CONECT   12   13   11   35                                            
CONECT   13   14   14   15   12                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   36   37                                       
CONECT   16   15   17                                                 
CONECT   17   16   19   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   21                                            
CONECT   20   25   19   38   39                                       
CONECT   21   19   23   23   22                                       
CONECT   22   21   29   29   40                                       
CONECT   23   24   21   21   26                                       
CONECT   24   25   23   41   42                                       
CONECT   25   20   24   43   44                                       
CONECT   26   23   27   27   45                                       
CONECT   27   26   26   29   28                                       
CONECT   28   27   46   47   48                                       
CONECT   29   22   22   27   49                                       
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
