COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.861   0.238  -0.080  1.00  0.00           C  
HETATM    2  C   UNL     1       4.809  -1.142  -0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       3.590  -1.788   0.045  1.00  0.00           C  
HETATM    4  C   UNL     1       2.409  -1.045   0.013  1.00  0.00           C  
HETATM    5  C   UNL     1       2.469   0.347  -0.066  1.00  0.00           C  
HETATM    6  C   UNL     1       3.694   0.980  -0.112  1.00  0.00           C  
HETATM    7  C   UNL     1       1.100  -1.730   0.062  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.337  -1.689   0.079  1.00  0.00           C  
HETATM    9  S   UNL     1       6.422   1.055  -0.131  1.00  0.00           S  
HETATM   10  O   UNL     1       7.354   0.107  -0.632  1.00  0.00           O  
HETATM   11  O   UNL     1       6.194   2.318  -0.742  1.00  0.00           O  
HETATM   12  N   UNL     1       6.865   1.365   1.434  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.441  -0.665   0.031  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.803  -0.065   0.016  1.00  0.00           C  
HETATM   15  O   UNL     1       1.050  -2.943   0.131  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.158  -0.774   0.067  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.171   0.516  -0.038  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.039  -1.010   0.031  1.00  0.00           N  
HETATM   19  C   UNL     1      -7.263   0.250   0.019  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.275   0.280  -0.869  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.475   1.964   0.514  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.729  -1.061   0.064  1.00  0.00           N  
HETATM   23  N   UNL     1      -9.045   1.368  -0.555  1.00  0.00           N  
HETATM   24  N   UNL     1      -7.413   1.287   0.855  1.00  0.00           N  
HETATM   25  H   UNL     1       5.723  -1.716   0.023  1.00  0.00           H  
HETATM   26  H   UNL     1       3.550  -2.865   0.106  1.00  0.00           H  
HETATM   27  H   UNL     1       1.559   0.928  -0.092  1.00  0.00           H  
HETATM   28  H   UNL     1       3.742   2.058  -0.169  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.413  -2.261   1.004  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.427  -2.361  -0.774  1.00  0.00           H  
HETATM   31  H   UNL     1       7.804   1.395   1.675  1.00  0.00           H  
HETATM   32  H   UNL     1       6.185   1.516   2.109  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.727   0.507  -0.908  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.713   0.607   0.869  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.248  -1.447  -0.786  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.234  -1.347   0.991  1.00  0.00           H  
HETATM   37  H   UNL     1       0.000  -0.042  -0.024  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.447  -0.419  -1.674  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.842   2.851   1.009  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.945  -2.005   0.118  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.846   1.658  -1.017  1.00  0.00           H  
CONECT    1    2    6    6    9                                       
CONECT    2    3    3    1   25                                       
CONECT    3    2    2    4   26                                       
CONECT    4    3    7    5    5                                       
CONECT    5    4    4    6   27                                       
CONECT    6    1    1    5   28                                       
CONECT    7   18   15   15    4                                       
CONECT    8   13   18   29   30                                       
CONECT    9   11   11    1   10                                       
CONECT    9   10   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   31   32                                            
CONECT   13   22   17   17    8                                       
CONECT   14   16   22   33   34                                       
CONECT   15    7    7                                                 
CONECT   16   19   14   35   36                                       
CONECT   17   13   13                                                 
CONECT   18    8    7   37                                            
CONECT   19   20   20   24   16                                       
CONECT   20   23   19   19   38                                       
CONECT   21   23   24   24   39                                       
CONECT   22   14   13   40                                            
CONECT   23   21   20   41                                            
CONECT   24   21   21   19                                            
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
