COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.203  -1.674  -0.640  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.232  -1.372  -2.037  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.296  -0.877   0.077  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.567  -1.187  -0.498  1.00  0.00           O  
HETATM    5  S   UNL     1      -3.330  -2.279   0.238  1.00  0.00           S  
HETATM    6  C   UNL     1      -1.013   0.620  -0.082  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.988   1.370   0.646  1.00  0.00           O  
HETATM    8  S   UNL     1      -2.379   2.684  -0.016  1.00  0.00           S  
HETATM    9  C   UNL     1       0.384   0.926   0.467  1.00  0.00           C  
HETATM   10  O   UNL     1       0.687   2.306   0.259  1.00  0.00           O  
HETATM   11  C   UNL     1       1.412   0.060  -0.265  1.00  0.00           C  
HETATM   12  O   UNL     1       1.073  -1.319  -0.103  1.00  0.00           O  
HETATM   13  C   UNL     1       2.803   0.315   0.320  1.00  0.00           C  
HETATM   14  O   UNL     1       3.777  -0.404  -0.439  1.00  0.00           O  
HETATM   15  S   UNL     1       5.205  -0.221   0.057  1.00  0.00           S  
HETATM   16  O   UNL     1      -3.878  -1.662   1.517  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.456  -2.596  -0.569  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.365  -3.242   0.639  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.186   3.381   0.923  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.187   3.224  -0.569  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.283   2.344  -1.192  1.00  0.00           O  
HETATM   22  O   UNL     1       5.350  -1.046   1.328  1.00  0.00           O  
HETATM   23  O   UNL     1       6.047  -0.828  -0.914  1.00  0.00           O  
HETATM   24  O   UNL     1       5.324   1.140   0.446  1.00  0.00           O  
HETATM   25  H   UNL     1      -0.375  -2.740  -0.494  1.00  0.00           H  
HETATM   26  H   UNL     1       0.436  -1.843  -2.555  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.301  -1.137   1.136  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.059   0.890  -1.137  1.00  0.00           H  
HETATM   29  H   UNL     1       0.412   0.703   1.534  1.00  0.00           H  
HETATM   30  H   UNL     1       1.559   2.571   0.583  1.00  0.00           H  
HETATM   31  H   UNL     1       1.411   0.312  -1.325  1.00  0.00           H  
HETATM   32  H   UNL     1       3.024   1.382   0.277  1.00  0.00           H  
HETATM   33  H   UNL     1       2.829  -0.021   1.356  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.384  -2.277   2.065  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.592   3.116  -1.686  1.00  0.00           H  
HETATM   36  H   UNL     1       6.228  -1.000   1.729  1.00  0.00           H  
CONECT    1    2    3   12   25                                       
CONECT    2    1   26                                                 
CONECT    3    1    4    6   27                                       
CONECT    4    3    5                                                 
CONECT    5    4   17   17   18                                       
CONECT    5   18   16                                                 
CONECT    6    3    7    9   28                                       
CONECT    7    6    8                                                 
CONECT    8    7   20   20   19                                       
CONECT    8   19   21                                                 
CONECT    9    6   11   10   29                                       
CONECT   10    9   30                                                 
CONECT   11    9   12   13   31                                       
CONECT   12    1   11                                                 
CONECT   13   11   14   32   33                                       
CONECT   14   13   15                                                 
CONECT   15   14   24   24   23                                       
CONECT   15   23   22                                                 
CONECT   16    5   34                                                 
CONECT   17    5    5                                                 
CONECT   18    5    5                                                 
CONECT   19    8    8                                                 
CONECT   20    8    8                                                 
CONECT   21    8   35                                                 
CONECT   22   15   36                                                 
CONECT   23   15   15                                                 
CONECT   24   15   15                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    6                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   16                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
