COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.934   2.861  -0.124  1.00  0.00           C  
HETATM    2  C   UNL     1       0.626   3.422  -1.356  1.00  0.00           C  
HETATM    3  C   UNL     1       1.444   3.194  -2.445  1.00  0.00           C  
HETATM    4  C   UNL     1       2.572   2.407  -2.313  1.00  0.00           C  
HETATM    5  C   UNL     1       2.885   1.842  -1.083  1.00  0.00           C  
HETATM    6  C   UNL     1       2.065   2.071   0.013  1.00  0.00           C  
HETATM    7  N   UNL     1       4.026   1.045  -0.949  1.00  0.00           N  
HETATM    8  C   UNL     1       4.017  -0.009  -0.109  1.00  0.00           C  
HETATM    9  O   UNL     1       2.987  -0.330   0.453  1.00  0.00           O  
HETATM   10  C   UNL     1       5.248  -0.768   0.127  1.00  0.00           C  
HETATM   11  S   UNL     1       6.822  -0.447  -0.597  1.00  0.00           S  
HETATM   12  C   UNL     1       7.494  -1.769   0.253  1.00  0.00           C  
HETATM   13  N   UNL     1       6.589  -2.345   0.980  1.00  0.00           N  
HETATM   14  C   UNL     1       5.381  -1.841   0.947  1.00  0.00           C  
HETATM   15  C   UNL     1       4.234  -2.411   1.742  1.00  0.00           C  
HETATM   16 CL   UNL     1       9.154  -2.269   0.156  1.00  0.00          Cl  
HETATM   17  O   UNL     1       0.131   3.091   0.948  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.123   2.568   0.929  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.950   2.708   2.035  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.224   2.177   2.017  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.679   1.503   0.891  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.852   1.363  -0.215  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.579   1.899  -0.197  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.971   0.964   0.873  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.211  -0.189   0.217  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.288  -0.816  -0.269  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.587  -0.689   0.088  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.674   0.048   0.660  1.00  0.00           C  
HETATM   29  N   UNL     1      -8.535   0.633   1.114  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.830  -1.855  -0.575  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.811  -2.548  -1.112  1.00  0.00           O  
HETATM   32  C   UNL     1      -8.241  -2.368  -0.707  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.474  -3.567  -1.629  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.551  -3.743  -0.111  1.00  0.00           C  
HETATM   35  H   UNL     1      -0.255   4.038  -1.462  1.00  0.00           H  
HETATM   36  H   UNL     1       1.201   3.631  -3.403  1.00  0.00           H  
HETATM   37  H   UNL     1       3.209   2.230  -3.166  1.00  0.00           H  
HETATM   38  H   UNL     1       2.306   1.633   0.970  1.00  0.00           H  
HETATM   39  H   UNL     1       4.824   1.250  -1.461  1.00  0.00           H  
HETATM   40  H   UNL     1       4.195  -1.930   2.719  1.00  0.00           H  
HETATM   41  H   UNL     1       3.300  -2.232   1.211  1.00  0.00           H  
HETATM   42  H   UNL     1       4.379  -3.484   1.871  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.596   3.232   2.911  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.867   2.286   2.878  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.205   0.839  -1.091  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.937   1.793  -1.059  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.694   1.420   1.332  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.032  -3.368  -1.573  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.023  -1.610  -0.658  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.409  -3.598  -2.187  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.607  -3.984  -2.140  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.735  -4.276   0.376  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.538  -3.889   0.329  1.00  0.00           H  
CONECT    1   17    6    6    2                                       
CONECT    2    1    3    3   35                                       
CONECT    3    2    2    4   36                                       
CONECT    4    5    5    3   37                                       
CONECT    5    6    7    4    4                                       
CONECT    6    1    1    5   38                                       
CONECT    7    8    5   39                                            
CONECT    8    9    9   10    7                                       
CONECT    9    8    8                                                 
CONECT   10   14   14   11    8                                       
CONECT   11   12   10                                                 
CONECT   12   16   13   13   11                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   10   10                                       
CONECT   15   14   40   41   42                                       
CONECT   16   12                                                      
CONECT   17   18    1                                                 
CONECT   18   19   17   23   23                                       
CONECT   19   20   20   18   43                                       
CONECT   20   19   19   21   44                                       
CONECT   21   20   24   22   22                                       
CONECT   22   21   21   23   45                                       
CONECT   23   18   18   22   46                                       
CONECT   24   25   21   47                                            
CONECT   25   26   26   27   24                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   30   30                                       
CONECT   28   29   29   29   27                                       
CONECT   29   28   28   28                                            
CONECT   30   27   27   32   31                                       
CONECT   31   30   48                                                 
CONECT   32   30   34   33   49                                       
CONECT   33   32   34   50   51                                       
CONECT   34   32   33   52   53                                       
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   31                                                      
CONECT   49   32                                                      
CONECT   50   33                                                      
CONECT   51   33                                                      
CONECT   52   34                                                      
CONECT   53   34                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
