COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.195  -2.458  -0.001  1.00  0.00           N  
HETATM    2  C   UNL     1       2.149  -3.259  -0.001  1.00  0.00           C  
HETATM    3  N   UNL     1       0.916  -2.796   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       0.679  -1.485   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.756  -0.604   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       3.042  -1.135  -0.001  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.622  -1.006   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.043  -1.173   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.637  -0.820  -1.197  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.828  -0.118  -1.197  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.425   0.230   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.832  -0.125   1.197  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.640  -0.825   1.197  1.00  0.00           C  
HETATM   14  S   UNL     1      -6.943   1.125   0.000  1.00  0.00           S  
HETATM   15  O   UNL     1      -7.014   1.794   1.252  1.00  0.00           O  
HETATM   16  O   UNL     1      -7.010   1.802  -1.247  1.00  0.00           O  
HETATM   17  N   UNL     1      -8.169   0.012  -0.005  1.00  0.00           N  
HETATM   18  N   UNL     1       1.539   0.861   0.000  1.00  0.00           N1+
HETATM   19  O   UNL     1       1.450   1.463   1.055  1.00  0.00           O1-
HETATM   20  O   UNL     1       1.449   1.463  -1.054  1.00  0.00           O  
HETATM   21  N   UNL     1       4.148  -0.299   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       5.497  -0.869   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       6.513   0.244   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       6.979   0.754   1.197  1.00  0.00           C  
HETATM   25  C   UNL     1       7.911   1.775   1.198  1.00  0.00           C  
HETATM   26  C   UNL     1       8.377   2.286   0.001  1.00  0.00           C  
HETATM   27  C   UNL     1       7.912   1.775  -1.197  1.00  0.00           C  
HETATM   28  C   UNL     1       6.983   0.751  -1.197  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.748  -1.944   0.000  1.00  0.00           C  
HETATM   30  H   UNL     1       2.308  -4.327  -0.002  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.787  -0.050   0.000  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.171  -1.091  -2.132  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.292   0.159  -2.132  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.298   0.148   2.133  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.176  -1.101   2.132  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.963  -0.936  -0.008  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.093   0.308  -0.006  1.00  0.00           H  
HETATM   38  H   UNL     1       4.028   0.664   0.000  1.00  0.00           H  
HETATM   39  H   UNL     1       5.632  -1.484   0.889  1.00  0.00           H  
HETATM   40  H   UNL     1       5.632  -1.484  -0.891  1.00  0.00           H  
HETATM   41  H   UNL     1       6.615   0.355   2.132  1.00  0.00           H  
HETATM   42  H   UNL     1       8.274   2.174   2.133  1.00  0.00           H  
HETATM   43  H   UNL     1       9.105   3.084   0.001  1.00  0.00           H  
HETATM   44  H   UNL     1       8.276   2.174  -2.132  1.00  0.00           H  
HETATM   45  H   UNL     1       6.622   0.349  -2.132  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.698  -2.571  -0.890  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.698  -2.571   0.890  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   30                                       
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   29   31                                            
CONECT    8    9    9   13   29                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   11   11   33                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   34                                       
CONECT   13    8   12   12   35                                       
CONECT   14   11   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   36   37                                            
CONECT   18    5   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   18   18                                                 
CONECT   21    6   22   38                                            
CONECT   22   21   23   39   40                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   41                                       
CONECT   25   24   26   26   42                                       
CONECT   26   25   25   27   43                                       
CONECT   27   26   28   28   44                                       
CONECT   28   23   27   27   45                                       
CONECT   29    7    8   46   47                                       
CONECT   30    2                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
