COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.535  -0.374   0.077  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.366   0.158  -0.889  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.322   1.518  -1.170  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.162   2.059  -2.146  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.441   2.338  -0.477  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.612   1.800   0.488  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.659   0.446   0.765  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.753  -0.137   1.819  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.492  -0.556   1.202  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.480   0.329   1.130  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.626   1.451   1.575  1.00  0.00           O  
HETATM   12  C   UNL     1       0.801  -0.055   0.519  1.00  0.00           C  
HETATM   13  C   UNL     1       0.944  -1.366   0.010  1.00  0.00           C  
HETATM   14  C   UNL     1       1.870   0.825   0.424  1.00  0.00           C  
HETATM   15  C   UNL     1       3.061   0.415  -0.163  1.00  0.00           C  
HETATM   16  S   UNL     1       4.402   1.553  -0.269  1.00  0.00           S  
HETATM   17  O   UNL     1       5.222   1.108  -1.342  1.00  0.00           O  
HETATM   18  O   UNL     1       3.831   2.853  -0.215  1.00  0.00           O  
HETATM   19  O   UNL     1       5.229   1.393   0.998  1.00  0.00           O1-
HETATM   20  C   UNL     1       3.217  -0.847  -0.660  1.00  0.00           C  
HETATM   21  C   UNL     1       2.158  -1.769  -0.584  1.00  0.00           C  
HETATM   22  C   UNL     1       2.269  -3.079  -1.081  1.00  0.00           C  
HETATM   23  C   UNL     1       1.213  -3.939  -0.984  1.00  0.00           C  
HETATM   24  C   UNL     1       0.011  -3.553  -0.401  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.139  -2.269   0.101  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.387  -1.814   0.731  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.330  -2.575   0.824  1.00  0.00           O  
HETATM   28  H   UNL     1      -4.572  -1.430   0.299  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.050  -0.483  -1.426  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.777   1.485  -2.629  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.130   3.008  -2.341  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.404   3.396  -0.693  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.927   2.438   1.026  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.552   0.615   2.582  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.238  -0.999   2.277  1.00  0.00           H  
HETATM   36  H   UNL     1       1.776   1.830   0.808  1.00  0.00           H  
HETATM   37  H   UNL     1       4.154  -1.137  -1.111  1.00  0.00           H  
HETATM   38  H   UNL     1       3.191  -3.407  -1.539  1.00  0.00           H  
HETATM   39  H   UNL     1       1.313  -4.942  -1.370  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.808  -4.255  -0.340  1.00  0.00           H  
CONECT    1    2    7    7   28                                       
CONECT    2    1    3    3   29                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3   30   31                                            
CONECT    5    3    6    6   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   34   35                                       
CONECT    9    8   10   26                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   14   14                                       
CONECT   13   12   21   21   25                                       
CONECT   14   12   12   15   36                                       
CONECT   15   14   16   20   20                                       
CONECT   16   15   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16                                                      
CONECT   20   15   15   21   37                                       
CONECT   21   13   13   20   22                                       
CONECT   22   21   23   23   38                                       
CONECT   23   22   22   24   39                                       
CONECT   24   23   25   25   40                                       
CONECT   25   13   24   24   26                                       
CONECT   26    9   25   27   27                                       
CONECT   27   26   26                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   14                                                      
CONECT   37   20                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
