COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.374  -1.965   0.274  1.00  0.00           C  
HETATM    2  C   UNL     1       2.202  -2.556   0.702  1.00  0.00           C  
HETATM    3  C   UNL     1       1.026  -1.832   0.723  1.00  0.00           C  
HETATM    4  C   UNL     1       1.019  -0.504   0.313  1.00  0.00           C  
HETATM    5  C   UNL     1       2.195   0.094  -0.117  1.00  0.00           C  
HETATM    6  C   UNL     1       3.374  -0.637  -0.137  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.172   0.228   0.334  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.373  -0.392   0.027  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.579   0.294   0.162  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.757  -0.375  -0.160  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.689  -1.638  -0.582  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.529  -2.250  -0.696  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.392  -1.651  -0.406  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.069   0.307  -0.034  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.243  -0.370  -0.358  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.460   0.269  -0.239  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.516   1.580   0.201  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.354   2.257   0.524  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.131   1.625   0.414  1.00  0.00           C  
HETATM   20  C   UNL     1       4.655  -2.758   0.258  1.00  0.00           C  
HETATM   21  N   UNL     1       4.560  -0.039  -0.570  1.00  0.00           N  
HETATM   22  S   UNL     1       4.852   1.556  -0.237  1.00  0.00           S  
HETATM   23  C   UNL     1       4.803   1.658   1.573  1.00  0.00           C  
HETATM   24  O   UNL     1       6.173   1.777  -0.713  1.00  0.00           O  
HETATM   25  O   UNL     1       3.745   2.242  -0.806  1.00  0.00           O  
HETATM   26  H   UNL     1       2.204  -3.588   1.021  1.00  0.00           H  
HETATM   27  H   UNL     1       0.111  -2.297   1.058  1.00  0.00           H  
HETATM   28  H   UNL     1       2.192   1.126  -0.437  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.157   1.171   0.563  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.599   1.317   0.508  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.508  -3.273  -1.041  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.201  -1.393  -0.702  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.371  -0.254  -0.489  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.471   2.076   0.293  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.403   3.280   0.866  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.225   2.153   0.671  1.00  0.00           H  
HETATM   37  H   UNL     1       4.766  -3.251  -0.708  1.00  0.00           H  
HETATM   38  H   UNL     1       5.499  -2.088   0.422  1.00  0.00           H  
HETATM   39  H   UNL     1       4.628  -3.508   1.048  1.00  0.00           H  
HETATM   40  H   UNL     1       5.212  -0.559  -1.066  1.00  0.00           H  
HETATM   41  H   UNL     1       5.569   1.007   1.995  1.00  0.00           H  
HETATM   42  H   UNL     1       4.988   2.686   1.885  1.00  0.00           H  
HETATM   43  H   UNL     1       3.822   1.341   1.928  1.00  0.00           H  
CONECT    1    2    2    6   20                                       
CONECT    2    1    1    3   26                                       
CONECT    3    2    4    4   27                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   28                                       
CONECT    6    1    5    5   21                                       
CONECT    7    4    8   29                                            
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   30                                       
CONECT   10    9   11   11   14                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   13   31                                       
CONECT   13    8   12   12                                            
CONECT   14   10   15   15   19                                       
CONECT   15   14   14   16   32                                       
CONECT   16   15   17   17   33                                       
CONECT   17   16   16   18   34                                       
CONECT   18   17   19   19   35                                       
CONECT   19   14   18   18   36                                       
CONECT   20    1   37   38   39                                       
CONECT   21    6   22   40                                            
CONECT   22   21   23   24   24                                       
CONECT   22   25   25                                                 
CONECT   23   22   41   42   43                                       
CONECT   24   22   22                                                 
CONECT   25   22   22                                                 
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31   12                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
