COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.673   1.791  -0.510  1.00  0.00           C  
HETATM    2  C   UNL     1       3.660   0.876  -0.241  1.00  0.00           C  
HETATM    3  C   UNL     1       5.940   1.590   0.010  1.00  0.00           C  
HETATM    4  C   UNL     1       6.208   0.485   0.797  1.00  0.00           C  
HETATM    5  C   UNL     1       5.212  -0.435   1.074  1.00  0.00           C  
HETATM    6  C   UNL     1       3.931  -0.245   0.565  1.00  0.00           C  
HETATM    7  C   UNL     1       1.236   0.104  -0.506  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.791  -1.705   0.085  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.734   1.311   1.594  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.050  -0.604  -0.720  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.046   0.297  -1.016  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.626   0.863  -2.099  1.00  0.00           O  
HETATM   13  S   UNL     1      -2.670  -0.355  -1.368  1.00  0.00           S  
HETATM   14  O   UNL     1      -3.066  -1.593  -1.943  1.00  0.00           O  
HETATM   15  N   UNL     1      -3.678  -0.092  -0.081  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.497   1.093   0.761  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.670   0.554   1.495  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.795   2.346   2.446  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.785  -2.584   0.369  1.00  0.00           O  
HETATM   20  C   UNL     1       0.485  -1.911   0.602  1.00  0.00           C  
HETATM   21  C   UNL     1       1.503  -1.011   0.311  1.00  0.00           C  
HETATM   22  C   UNL     1       2.861  -1.222   0.856  1.00  0.00           C  
HETATM   23  O   UNL     1       3.097  -2.197   1.542  1.00  0.00           O  
HETATM   24  C   UNL     1       2.306   1.078  -0.796  1.00  0.00           C  
HETATM   25  O   UNL     1       2.072   2.047  -1.492  1.00  0.00           O  
HETATM   26  H   UNL     1       4.472   2.654  -1.128  1.00  0.00           H  
HETATM   27  H   UNL     1       6.725   2.302  -0.200  1.00  0.00           H  
HETATM   28  H   UNL     1       7.200   0.339   1.197  1.00  0.00           H  
HETATM   29  H   UNL     1       5.428  -1.296   1.689  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.255   1.152  -1.643  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.388  -0.723   0.115  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.326   1.965   0.129  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.639   0.946   1.416  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.609   2.445   2.959  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.904  -3.272  -0.300  1.00  0.00           H  
HETATM   36  H   UNL     1       0.683  -2.769   1.228  1.00  0.00           H  
CONECT    1    3    3    2   26                                       
CONECT    2    6    6    1   24                                       
CONECT    3    4    1    1   27                                       
CONECT    4    5    5    3   28                                       
CONECT    5    6    4    4   29                                       
CONECT    6   22    5    2    2                                       
CONECT    7   21   21   24   11                                       
CONECT    8   10   19   20   20                                       
CONECT    9   16   18   17   17                                       
CONECT   10   11   11   13    8                                       
CONECT   11    7   10   10   30                                       
CONECT   12   13   13                                                 
CONECT   13   10   15   14   14                                       
CONECT   13   12   12                                                 
CONECT   14   13   13                                                 
CONECT   15   13   16   31                                            
CONECT   16   15    9   32   33                                       
CONECT   17    9    9                                                 
CONECT   18    9   34                                                 
CONECT   19    8   35                                                 
CONECT   20    8    8   21   36                                       
CONECT   21   22    7    7   20                                       
CONECT   22   23   23    6   21                                       
CONECT   23   22   22                                                 
CONECT   24    2   25   25    7                                       
CONECT   25   24   24                                                 
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30   11                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
