COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.016   0.324   0.759  1.00  0.00           C  
HETATM    2  C   UNL     1       6.586   0.406   0.290  1.00  0.00           C  
HETATM    3  O   UNL     1       6.294   1.123  -0.644  1.00  0.00           O  
HETATM    4  N   UNL     1       5.631  -0.315   0.909  1.00  0.00           N  
HETATM    5  C   UNL     1       4.306  -0.239   0.475  1.00  0.00           C  
HETATM    6  N   UNL     1       3.871   0.509  -0.535  1.00  0.00           N  
HETATM    7  N   UNL     1       3.294  -0.900   0.998  1.00  0.00           N  
HETATM    8  N   UNL     1       2.148  -0.541   0.274  1.00  0.00           N  
HETATM    9  C   UNL     1       0.844  -0.904   0.367  1.00  0.00           C  
HETATM   10  C   UNL     1       2.560   0.347  -0.679  1.00  0.00           C  
HETATM   11  C   UNL     1       1.626   0.894  -1.578  1.00  0.00           C  
HETATM   12  C   UNL     1       0.318   0.534  -1.485  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.081  -0.385  -0.490  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.505  -0.789  -0.380  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.483   0.144  -0.025  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.889  -2.104  -0.634  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.153  -2.464  -0.536  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.097  -1.607  -0.199  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.797  -0.283   0.064  1.00  0.00           C  
HETATM   20  S   UNL     1      -5.073   0.849   0.508  1.00  0.00           S  
HETATM   21  C   UNL     1      -5.642   1.531  -1.074  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.079   0.031   1.090  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.407   1.846   1.270  1.00  0.00           O  
HETATM   24  H   UNL     1       8.193   1.082   1.521  1.00  0.00           H  
HETATM   25  H   UNL     1       8.203  -0.664   1.179  1.00  0.00           H  
HETATM   26  H   UNL     1       8.685   0.493  -0.085  1.00  0.00           H  
HETATM   27  H   UNL     1       0.536  -1.609   1.125  1.00  0.00           H  
HETATM   28  H   UNL     1       1.945   1.595  -2.336  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.410   0.946  -2.168  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.220   1.173   0.175  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.145  -2.835  -0.913  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.121  -1.943  -0.130  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.016   0.724  -1.704  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.442   2.249  -0.892  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.813   2.029  -1.574  1.00  0.00           H  
HETATM   36  H   UNL     1       5.864  -0.888   1.656  1.00  0.00           H  
CONECT    1    2   24   25   26                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   36                                            
CONECT    5    4    6    7    7                                       
CONECT    6    5   10   10                                            
CONECT    7    5    5    8                                            
CONECT    8    7    9   10                                            
CONECT    9    8   13   13   27                                       
CONECT   10    6    6    8   11                                       
CONECT   11   10   12   12   28                                       
CONECT   12   11   11   13   29                                       
CONECT   13    9    9   12   14                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   19   30                                       
CONECT   16   14   17   17   31                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19   19   32                                       
CONECT   19   15   18   18   20                                       
CONECT   20   19   21   22   22                                       
CONECT   20   23   23                                                 
CONECT   21   20   33   34   35                                       
CONECT   22   20   20                                                 
CONECT   23   20   20                                                 
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   18                                                      
CONECT   33   21                                                      
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36    4                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
