COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.048   1.516  -0.011  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.379  -0.476  -0.046  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.235  -1.255  -0.056  1.00  0.00           C  
HETATM    4 CL   UNL     1      -4.727   1.872  -0.029  1.00  0.00          Cl  
HETATM    5  C   UNL     1      -3.285   0.906  -0.029  1.00  0.00           C  
HETATM    6  S   UNL     1      -4.964  -1.247  -0.068  1.00  0.00           S  
HETATM    7  O   UNL     1      -4.729  -2.648  -0.048  1.00  0.00           O  
HETATM    8  N   UNL     1      -5.709  -0.877   1.364  1.00  0.00           N  
HETATM    9  O   UNL     1      -5.711  -0.598  -1.088  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.887   0.735  -0.016  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.992  -0.659  -0.039  1.00  0.00           C  
HETATM   12  C   UNL     1       0.437   1.378   0.002  1.00  0.00           C  
HETATM   13  O   UNL     1       0.523   2.587   0.021  1.00  0.00           O  
HETATM   14  C   UNL     1       1.684   0.533  -0.004  1.00  0.00           C  
HETATM   15  S   UNL     1       3.141   1.607   0.022  1.00  0.00           S  
HETATM   16  C   UNL     1       4.417   0.392   0.011  1.00  0.00           C  
HETATM   17  N   UNL     1       5.683   0.784   0.024  1.00  0.00           N  
HETATM   18  C   UNL     1       6.665  -0.102   0.017  1.00  0.00           C  
HETATM   19  C   UNL     1       8.102   0.352   0.033  1.00  0.00           C  
HETATM   20  C   UNL     1       6.357  -1.453  -0.006  1.00  0.00           C  
HETATM   21  C   UNL     1       5.022  -1.828  -0.020  1.00  0.00           C  
HETATM   22  N   UNL     1       4.089  -0.892  -0.006  1.00  0.00           N  
HETATM   23  C   UNL     1       4.640  -3.286  -0.038  1.00  0.00           C  
HETATM   24  H   UNL     1      -1.975   2.593   0.002  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.317  -2.331  -0.069  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.253  -0.326   2.019  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.601  -1.211   1.547  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.100  -1.269  -0.043  1.00  0.00           H  
HETATM   29  H   UNL     1       1.692  -0.110   0.876  1.00  0.00           H  
HETATM   30  H   UNL     1       1.702  -0.083  -0.903  1.00  0.00           H  
HETATM   31  H   UNL     1       8.442   0.445   1.064  1.00  0.00           H  
HETATM   32  H   UNL     1       8.720  -0.379  -0.488  1.00  0.00           H  
HETATM   33  H   UNL     1       8.184   1.318  -0.465  1.00  0.00           H  
HETATM   34  H   UNL     1       7.139  -2.198  -0.013  1.00  0.00           H  
HETATM   35  H   UNL     1       4.546  -3.624  -1.071  1.00  0.00           H  
HETATM   36  H   UNL     1       5.410  -3.870   0.466  1.00  0.00           H  
HETATM   37  H   UNL     1       3.688  -3.418   0.475  1.00  0.00           H  
CONECT    1   10    5    5   24                                       
CONECT    2    3    3    5    6                                       
CONECT    3   11    2    2   25                                       
CONECT    4    5                                                      
CONECT    5    1    1    2    4                                       
CONECT    6    2    8    7    7                                       
CONECT    6    9    9                                                 
CONECT    7    6    6                                                 
CONECT    8    6   26   27                                            
CONECT    9    6    6                                                 
CONECT   10   12   11   11    1                                       
CONECT   11   10   10    3   28                                       
CONECT   12   14   13   13   10                                       
CONECT   13   12   12                                                 
CONECT   14   15   12   29   30                                       
CONECT   15   16   14                                                 
CONECT   16   22   15   17   17                                       
CONECT   17   16   16   18                                            
CONECT   18   20   20   17   19                                       
CONECT   19   18   31   32   33                                       
CONECT   20   21   18   18   34                                       
CONECT   21   23   22   22   20                                       
CONECT   22   21   21   16                                            
CONECT   23   21   35   36   37                                       
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28   11                                                      
CONECT   29   14                                                      
CONECT   30   14                                                      
CONECT   31   19                                                      
CONECT   32   19                                                      
CONECT   33   19                                                      
CONECT   34   20                                                      
CONECT   35   23                                                      
CONECT   36   23                                                      
CONECT   37   23                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
