COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.900  -2.077   0.000  1.00  0.00           N  
HETATM    2  C   UNL     1       3.636  -2.447   0.001  1.00  0.00           C  
HETATM    3  N   UNL     1       2.653  -1.569   0.001  1.00  0.00           N  
HETATM    4  C   UNL     1       2.906  -0.262   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       4.231   0.170   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       5.235  -0.789   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       1.867   0.656   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.893   0.916   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.548   0.696   1.197  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.860   0.262   1.197  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.517   0.048   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.862   0.268  -1.197  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.550   0.701  -1.197  1.00  0.00           C  
HETATM   14  S   UNL     1      -6.190  -0.507   0.000  1.00  0.00           S  
HETATM   15  O   UNL     1      -6.400  -1.147  -1.251  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.398  -1.153   1.248  1.00  0.00           O  
HETATM   17  N   UNL     1      -7.153   0.840   0.005  1.00  0.00           N  
HETATM   18  N   UNL     1       4.559   1.613  -0.001  1.00  0.00           N1+
HETATM   19  O   UNL     1       4.694   2.208   1.053  1.00  0.00           O1-
HETATM   20  O   UNL     1       4.693   2.206  -1.056  1.00  0.00           O  
HETATM   21  O   UNL     1       6.539  -0.419  -0.001  1.00  0.00           O  
HETATM   22  C   UNL     1       7.511  -1.466  -0.001  1.00  0.00           C  
HETATM   23  C   UNL     1       0.479   0.190   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.464   1.395   0.000  1.00  0.00           C  
HETATM   25  H   UNL     1       3.398  -3.500   0.002  1.00  0.00           H  
HETATM   26  H   UNL     1       2.060   1.606   0.000  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.034   0.864   2.132  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.372   0.090   2.132  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.376   0.100  -2.132  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.037   0.872  -2.133  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.027   0.813  -0.415  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.843   1.657   0.426  1.00  0.00           H  
HETATM   33  H   UNL     1       8.512  -1.033  -0.001  1.00  0.00           H  
HETATM   34  H   UNL     1       7.382  -2.081   0.890  1.00  0.00           H  
HETATM   35  H   UNL     1       7.382  -2.082  -0.891  1.00  0.00           H  
HETATM   36  H   UNL     1       0.298  -0.413  -0.889  1.00  0.00           H  
HETATM   37  H   UNL     1       0.298  -0.413   0.891  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.283   1.997  -0.891  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.283   1.998   0.890  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   25                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   18                                       
CONECT    6    1    5    5   21                                       
CONECT    7    4   23   26                                            
CONECT    8    9    9   13   24                                       
CONECT    9    8    8   10   27                                       
CONECT   10    9   11   11   28                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   29                                       
CONECT   13    8   12   12   30                                       
CONECT   14   11   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   31   32                                            
CONECT   18    5   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   18   18                                                 
CONECT   21    6   22                                                 
CONECT   22   21   33   34   35                                       
CONECT   23    7   24   36   37                                       
CONECT   24    8   23   38   39                                       
CONECT   25    2                                                      
CONECT   26    7                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   17                                                      
CONECT   32   17                                                      
CONECT   33   22                                                      
CONECT   34   22                                                      
CONECT   35   22                                                      
CONECT   36   23                                                      
CONECT   37   23                                                      
CONECT   38   24                                                      
CONECT   39   24                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
