COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.092   1.138  -0.002  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.789  -0.057  -0.001  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.109  -1.262   0.001  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.729  -1.278   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.020  -0.076  -0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.713   1.136  -0.002  1.00  0.00           C  
HETATM    7  O   UNL     1       4.925  -1.387   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       5.191  -0.203  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1       6.630   0.245  -0.002  1.00  0.00           C  
HETATM   10  N   UNL     1       4.201   0.711  -0.002  1.00  0.00           N  
HETATM   11  C   UNL     1       2.874   0.298  -0.001  1.00  0.00           C  
HETATM   12  N   UNL     1       2.467  -0.937   0.001  1.00  0.00           N  
HETATM   13  N   UNL     1       1.221  -1.144   0.001  1.00  0.00           N  
HETATM   14  S   UNL     1       1.509   1.331   0.005  1.00  0.00           S  
HETATM   15  C   UNL     1       0.458  -0.086  -0.001  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.269  -0.047  -0.001  1.00  0.00           N1+
HETATM   17  O   UNL     1      -5.871   1.012  -0.002  1.00  0.00           O1-
HETATM   18  O   UNL     1      -5.885  -1.098   0.001  1.00  0.00           O  
HETATM   19  H   UNL     1      -3.630   2.075  -0.007  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.658  -2.191   0.003  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.199  -2.219   0.002  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.170   2.070  -0.004  1.00  0.00           H  
HETATM   23  H   UNL     1       6.977   0.352  -1.030  1.00  0.00           H  
HETATM   24  H   UNL     1       6.713   1.203   0.511  1.00  0.00           H  
HETATM   25  H   UNL     1       7.242  -0.496   0.512  1.00  0.00           H  
HETATM   26  H   UNL     1       4.414   1.657  -0.003  1.00  0.00           H  
CONECT    1    2    2    6   19                                       
CONECT    2    1    1    3   16                                       
CONECT    3    2    4    4   20                                       
CONECT    4    3    3    5   21                                       
CONECT    5    4    6    6   15                                       
CONECT    6    1    5    5   22                                       
CONECT    7    8    8                                                 
CONECT    8    7    7    9   10                                       
CONECT    9    8   23   24   25                                       
CONECT   10    8   11   26                                            
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13                                            
CONECT   13   12   15   15                                            
CONECT   14   11   15                                                 
CONECT   15    5   13   13   14                                       
CONECT   16    2   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   16   16                                                 
CONECT   19    1                                                      
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    6                                                      
CONECT   23    9                                                      
CONECT   24    9                                                      
CONECT   25    9                                                      
CONECT   26   10                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
