COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.503   1.066  -0.069  1.00  0.00           C  
HETATM    2  N   UNL     1       1.186   1.513  -0.132  1.00  0.00           N  
HETATM    3  C   UNL     1       0.150   0.604  -0.139  1.00  0.00           C  
HETATM    4  N   UNL     1       0.301  -0.688  -0.154  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.788  -1.422  -0.159  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.955  -0.680  -0.147  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.507   1.023  -0.121  1.00  0.00           S  
HETATM    8  N   UNL     1      -0.769  -2.807  -0.175  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.265  -1.194  -0.148  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.418  -0.284   0.036  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.271   0.914   0.744  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.380   1.730   0.889  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.585   1.340   0.335  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.693   0.204  -0.328  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.667  -0.603  -0.497  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.451  -2.389  -0.303  1.00  0.00           O  
HETATM   17  C   UNL     1       3.515   1.796  -0.686  1.00  0.00           C  
HETATM   18  C   UNL     1       4.818   1.357  -0.626  1.00  0.00           C  
HETATM   19  C   UNL     1       5.124   0.176   0.056  1.00  0.00           C  
HETATM   20  C   UNL     1       4.106  -0.555   0.675  1.00  0.00           C  
HETATM   21  C   UNL     1       2.806  -0.108   0.615  1.00  0.00           C  
HETATM   22  C   UNL     1       6.520  -0.299   0.122  1.00  0.00           C  
HETATM   23  O   UNL     1       7.405   0.338  -0.417  1.00  0.00           O  
HETATM   24  N   UNL     1       6.815  -1.437   0.780  1.00  0.00           N  
HETATM   25  H   UNL     1       0.998   2.463  -0.171  1.00  0.00           H  
HETATM   26  H   UNL     1       0.078  -3.281  -0.183  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.602  -3.303  -0.178  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.318   1.195   1.168  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.304   2.662   1.430  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.451   1.975   0.446  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.793  -1.522  -1.050  1.00  0.00           H  
HETATM   32  H   UNL     1       3.277   2.708  -1.213  1.00  0.00           H  
HETATM   33  H   UNL     1       5.602   1.923  -1.105  1.00  0.00           H  
HETATM   34  H   UNL     1       4.340  -1.468   1.202  1.00  0.00           H  
HETATM   35  H   UNL     1       2.020  -0.670   1.097  1.00  0.00           H  
HETATM   36  H   UNL     1       6.109  -1.945   1.210  1.00  0.00           H  
HETATM   37  H   UNL     1       7.732  -1.749   0.824  1.00  0.00           H  
CONECT    1    2   17   17   21                                       
CONECT    2    1    3   25                                            
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6    8                                       
CONECT    6    5    5    7    9                                       
CONECT    7    3    6                                                 
CONECT    8    5   26   27                                            
CONECT    9    6   10   16   16                                       
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   28                                       
CONECT   12   11   13   13   29                                       
CONECT   13   12   12   14   30                                       
CONECT   14   13   15   15                                            
CONECT   15   10   14   14   31                                       
CONECT   16    9    9                                                 
CONECT   17    1    1   18   32                                       
CONECT   18   17   19   19   33                                       
CONECT   19   18   18   20   22                                       
CONECT   20   19   21   21   34                                       
CONECT   21    1   20   20   35                                       
CONECT   22   19   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   36   37                                            
CONECT   25    2                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   15                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   24                                                      
CONECT   37   24                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
