COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.551   1.402  -0.061  1.00  0.00           C  
HETATM    2  O   UNL     1       0.026   0.077   0.047  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.327  -0.050   0.074  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.905  -1.306   0.177  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.280  -1.433   0.204  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.081  -0.308   0.129  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.507   0.946   0.026  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.132   1.078   0.004  1.00  0.00           C  
HETATM    9  C   UNL     1       2.057   1.346  -0.076  1.00  0.00           C  
HETATM   10  C   UNL     1       2.826   0.234  -0.001  1.00  0.00           C  
HETATM   11  N   UNL     1       4.116   0.665  -0.051  1.00  0.00           N  
HETATM   12  N   UNL     1       4.106   1.949  -0.149  1.00  0.00           N  
HETATM   13  N   UNL     1       2.895   2.383  -0.171  1.00  0.00           N  
HETATM   14  C   UNL     1       5.258  -0.147  -0.004  1.00  0.00           C  
HETATM   15  C   UNL     1       6.522   0.425  -0.064  1.00  0.00           C  
HETATM   16  C   UNL     1       7.645  -0.378  -0.017  1.00  0.00           C  
HETATM   17  C   UNL     1       7.511  -1.750   0.090  1.00  0.00           C  
HETATM   18  C   UNL     1       6.254  -2.323   0.150  1.00  0.00           C  
HETATM   19  C   UNL     1       5.127  -1.525   0.109  1.00  0.00           C  
HETATM   20  S   UNL     1      -5.883  -0.477   0.165  1.00  0.00           S  
HETATM   21  O   UNL     1      -7.535  -0.632   0.198  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.876  -0.892  -1.442  1.00  0.00           O  
HETATM   23  N   UNL     1      -6.031   1.202   0.634  1.00  0.00           N  
HETATM   24  H   UNL     1       0.195   1.860  -0.983  1.00  0.00           H  
HETATM   25  H   UNL     1       0.218   1.995   0.791  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.280  -2.185   0.235  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.731  -2.411   0.284  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.135   1.823  -0.034  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.685   2.058  -0.071  1.00  0.00           H  
HETATM   30  H   UNL     1       2.485  -0.787   0.081  1.00  0.00           H  
HETATM   31  H   UNL     1       6.627   1.496  -0.148  1.00  0.00           H  
HETATM   32  H   UNL     1       8.628   0.066  -0.064  1.00  0.00           H  
HETATM   33  H   UNL     1       8.391  -2.376   0.127  1.00  0.00           H  
HETATM   34  H   UNL     1       6.153  -3.395   0.233  1.00  0.00           H  
HETATM   35  H   UNL     1       4.146  -1.972   0.161  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.930  -0.448   1.061  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.790  -1.842  -1.603  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.379   1.431   1.370  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.908   1.812  -0.160  1.00  0.00           H  
CONECT    1    2    9   24   25                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   26                                       
CONECT    5    4    6    6   27                                       
CONECT    6    5    5    7   20                                       
CONECT    7    6    8    8   28                                       
CONECT    8    3    7    7   29                                       
CONECT    9    1   10   10   13                                       
CONECT   10    9    9   11   30                                       
CONECT   11   10   12   14                                            
CONECT   12   11   13   13                                            
CONECT   13    9   12   12                                            
CONECT   14   11   15   15   19                                       
CONECT   15   14   14   16   31                                       
CONECT   16   15   17   17   32                                       
CONECT   17   16   16   18   33                                       
CONECT   18   17   19   19   34                                       
CONECT   19   14   18   18   35                                       
CONECT   20    6   21   22   23                                       
CONECT   21   20   36                                                 
CONECT   22   20   37                                                 
CONECT   23   20   38   39                                            
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
