COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.359   0.413  -0.012  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.768   0.655  -1.321  1.00  0.00           N  
HETATM    3  O   UNL     1      -6.001  -1.506  -0.411  1.00  0.00           O  
HETATM    4  S   UNL     1      -6.035  -0.129  -0.061  1.00  0.00           S  
HETATM    5  C   UNL     1      -4.013   1.519   0.743  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.648   0.356   1.126  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.701   1.947   0.783  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.728   1.265   0.064  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.078   0.155  -0.694  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.392  -0.270  -0.726  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.398   1.696   0.102  1.00  0.00           N  
HETATM   12  C   UNL     1       0.628   0.772   0.109  1.00  0.00           C  
HETATM   13  N   UNL     1       1.890   1.178   0.032  1.00  0.00           N  
HETATM   14  C   UNL     1       2.875   0.285   0.040  1.00  0.00           C  
HETATM   15  N   UNL     1       4.187   0.704  -0.039  1.00  0.00           N  
HETATM   16  N   UNL     1       2.593  -1.013   0.124  1.00  0.00           N  
HETATM   17  C   UNL     1       1.335  -1.414   0.201  1.00  0.00           C  
HETATM   18 CL   UNL     1       0.971  -3.108   0.311  1.00  0.00          Cl  
HETATM   19  N   UNL     1       0.353  -0.528   0.199  1.00  0.00           N  
HETATM   20  C   UNL     1       5.272  -0.281  -0.031  1.00  0.00           C  
HETATM   21  C   UNL     1       6.597   0.430  -0.127  1.00  0.00           C  
HETATM   22  C   UNL     1       8.977   0.474  -0.230  1.00  0.00           C  
HETATM   23  O   UNL     1       7.738  -0.277  -0.136  1.00  0.00           O  
HETATM   24  O   UNL     1       6.632   1.635  -0.195  1.00  0.00           O  
HETATM   25  H   UNL     1       4.392   1.650  -0.100  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.262   1.280  -1.864  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.771   2.048   1.302  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.432   2.811   1.373  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.324  -0.376  -1.255  1.00  0.00           H  
HETATM   30  H   UNL     1       5.234  -0.856   0.895  1.00  0.00           H  
HETATM   31  H   UNL     1       5.158  -0.954  -0.881  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.665  -1.133  -1.314  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.196   2.645   0.123  1.00  0.00           H  
HETATM   34  H   UNL     1       8.983   1.052  -1.155  1.00  0.00           H  
HETATM   35  H   UNL     1       9.058   1.150   0.621  1.00  0.00           H  
HETATM   36  H   UNL     1       9.821  -0.215  -0.228  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.704   0.491  -1.516  1.00  0.00           H  
CONECT    1    5    5   10    4                                       
CONECT    2   26    4   37                                            
CONECT    3    4    4                                                 
CONECT    4    1    2    3    3                                       
CONECT    4    6    6                                                 
CONECT    5    1    1    7   27                                       
CONECT    6    4    4                                                 
CONECT    7    5    8    8   28                                       
CONECT    8    7    7   11    9                                       
CONECT    9    8   29   10   10                                       
CONECT   10    1    9    9   32                                       
CONECT   11    8   12   33                                            
CONECT   12   11   13   13   19                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   16   16                                       
CONECT   15   14   25   20                                            
CONECT   16   14   14   17                                            
CONECT   17   16   18   19   19                                       
CONECT   18   17                                                      
CONECT   19   12   17   17                                            
CONECT   20   15   21   30   31                                       
CONECT   21   20   24   24   23                                       
CONECT   22   35   36   34   23                                       
CONECT   23   21   22                                                 
CONECT   24   21   21                                                 
CONECT   25   15                                                      
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30   20                                                      
CONECT   31   20                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   22                                                      
CONECT   35   22                                                      
CONECT   36   22                                                      
CONECT   37    2                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
