COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1      -0.800  -1.114   0.495  1.00  0.00           B1-
HETATM    2  C   UNL     1       0.171  -0.022  -0.161  1.00  0.00           C  
HETATM    3  C   UNL     1       2.877   0.511  -0.837  1.00  0.00           C  
HETATM    4  C   UNL     1       4.335   0.292  -0.526  1.00  0.00           C  
HETATM    5  C   UNL     1       4.982  -0.832  -1.002  1.00  0.00           C  
HETATM    6  C   UNL     1       6.319  -1.034  -0.716  1.00  0.00           C  
HETATM    7  C   UNL     1       7.010  -0.110   0.047  1.00  0.00           C  
HETATM    8  C   UNL     1       6.363   1.015   0.523  1.00  0.00           C  
HETATM    9  C   UNL     1       5.027   1.219   0.232  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.348   1.363   0.243  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.847   1.397   0.069  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.587   0.239  -0.071  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.984   0.329  -0.223  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.790  -0.896  -0.369  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.606   1.578  -0.235  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.850   2.721  -0.097  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.478   2.630   0.054  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.307  -2.368   0.266  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.894  -0.896   1.841  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.127  -0.810  -0.515  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.249  -1.984  -0.359  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.032  -0.995  -0.075  1.00  0.00           O  
HETATM   23  S   UNL     1       1.861  -0.250   0.458  1.00  0.00           S  
HETATM   24  H   UNL     1       0.158  -0.119  -1.246  1.00  0.00           H  
HETATM   25  H   UNL     1       2.671   1.581  -0.879  1.00  0.00           H  
HETATM   26  H   UNL     1       2.639   0.058  -1.799  1.00  0.00           H  
HETATM   27  H   UNL     1       4.443  -1.554  -1.597  1.00  0.00           H  
HETATM   28  H   UNL     1       6.825  -1.913  -1.087  1.00  0.00           H  
HETATM   29  H   UNL     1       8.054  -0.267   0.271  1.00  0.00           H  
HETATM   30  H   UNL     1       6.902   1.737   1.118  1.00  0.00           H  
HETATM   31  H   UNL     1       4.521   2.098   0.603  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.097   1.556   1.286  1.00  0.00           H  
HETATM   33  H   UNL     1       0.111   2.123  -0.390  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.678   1.648  -0.352  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.328   3.689  -0.109  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.892   3.531   0.162  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.856  -3.078   0.626  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.479  -1.514   2.300  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.613  -1.641  -0.607  1.00  0.00           H  
CONECT    1   18    2   22   19                                       
CONECT    2   23   10    1   24                                       
CONECT    3    4   23   25   26                                       
CONECT    4    5    5    9    3                                       
CONECT    5    6    4    4   27                                       
CONECT    6    7    7    5   28                                       
CONECT    7    6    6    8   29                                       
CONECT    8    7    9    9   30                                       
CONECT    9    8    8    4   31                                       
CONECT   10    2   11   32   33                                       
CONECT   11   17   10   12   12                                       
CONECT   12   11   11   13   22                                       
CONECT   13   15   15   12   14                                       
CONECT   14   13   21   21   20                                       
CONECT   15   16   13   13   34                                       
CONECT   16   17   17   15   35                                       
CONECT   17   16   16   11   36                                       
CONECT   18    1   37                                                 
CONECT   19    1   38                                                 
CONECT   20   14   39                                                 
CONECT   21   14   14                                                 
CONECT   22    1   12                                                 
CONECT   23    3    2                                                 
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
