COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.145   1.333   0.274  1.00  0.00           O  
HETATM    2  C   UNL     1       7.227   0.315  -0.129  1.00  0.00           C  
HETATM    3  C   UNL     1       5.800   0.753   0.207  1.00  0.00           C  
HETATM    4  C   UNL     1       4.817  -0.337  -0.225  1.00  0.00           C  
HETATM    5  C   UNL     1       3.390   0.101   0.111  1.00  0.00           C  
HETATM    6  N   UNL     1       2.449  -0.943  -0.303  1.00  0.00           N  
HETATM    7  C   UNL     1       1.126  -0.774  -0.105  1.00  0.00           C  
HETATM    8  O   UNL     1       0.714   0.244   0.417  1.00  0.00           O  
HETATM    9  N   UNL     1       0.260  -1.734  -0.485  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.102  -1.603  -0.193  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.700  -0.350  -0.210  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.860  -2.727   0.109  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.205  -2.594   0.396  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.796  -1.345   0.383  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.045  -0.224   0.078  1.00  0.00           C  
HETATM   16  S   UNL     1      -3.805   1.365   0.056  1.00  0.00           S  
HETATM   17  O   UNL     1      -4.953   1.273   0.888  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.764   2.310   0.269  1.00  0.00           O  
HETATM   19  N   UNL     1      -4.361   1.622  -1.482  1.00  0.00           N  
HETATM   20  H   UNL     1       9.071   1.122   0.092  1.00  0.00           H  
HETATM   21  H   UNL     1       7.314   0.151  -1.203  1.00  0.00           H  
HETATM   22  H   UNL     1       7.456  -0.611   0.399  1.00  0.00           H  
HETATM   23  H   UNL     1       5.713   0.916   1.281  1.00  0.00           H  
HETATM   24  H   UNL     1       5.571   1.679  -0.321  1.00  0.00           H  
HETATM   25  H   UNL     1       4.904  -0.500  -1.299  1.00  0.00           H  
HETATM   26  H   UNL     1       5.046  -1.263   0.303  1.00  0.00           H  
HETATM   27  H   UNL     1       3.303   0.264   1.185  1.00  0.00           H  
HETATM   28  H   UNL     1       3.161   1.027  -0.417  1.00  0.00           H  
HETATM   29  H   UNL     1       2.777  -1.755  -0.718  1.00  0.00           H  
HETATM   30  H   UNL     1       0.581  -2.516  -0.961  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.114   0.525  -0.449  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.399  -3.703   0.119  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.795  -3.468   0.631  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.848  -1.243   0.608  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.233   0.944  -2.164  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.816   2.450  -1.701  1.00  0.00           H  
CONECT    1    2   20                                                 
CONECT    2    1    3   21   22                                       
CONECT    3    2    4   23   24                                       
CONECT    4    3    5   25   26                                       
CONECT    5    4    6   27   28                                       
CONECT    6    5    7   29                                            
CONECT    7    8    8    6    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   30                                            
CONECT   10    9   12   12   11                                       
CONECT   11   10   15   15   31                                       
CONECT   12   10   10   13   32                                       
CONECT   13   12   14   14   33                                       
CONECT   14   13   13   15   34                                       
CONECT   15   11   11   14   16                                       
CONECT   16   15   19   18   18                                       
CONECT   16   17   17                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   35   36                                            
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
