COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.758  -1.850   0.169  1.00  0.00           O  
HETATM    2  C   UNL     1       4.385  -0.813   0.159  1.00  0.00           C  
HETATM    3  C   UNL     1       5.892  -0.842   0.185  1.00  0.00           C  
HETATM    4  C   UNL     1       6.571  -2.213   0.225  1.00  0.00           C  
HETATM    5  C   UNL     1       6.610  -1.376  -1.056  1.00  0.00           C  
HETATM    6  N   UNL     1       3.736   0.367   0.119  1.00  0.00           N  
HETATM    7  C   UNL     1       2.346   0.395   0.088  1.00  0.00           C  
HETATM    8  N   UNL     1       1.681  -0.746   0.100  1.00  0.00           N  
HETATM    9  N   UNL     1       1.724   1.566   0.054  1.00  0.00           N  
HETATM   10  C   UNL     1       0.405   1.644   0.025  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.227   2.886  -0.012  1.00  0.00           N  
HETATM   12  C   UNL     1       0.197   4.036   0.605  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.704   4.991   0.310  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.655   4.447  -0.465  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.378   3.188  -0.669  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.359   0.449   0.030  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.689   0.278   0.005  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.143  -0.929   0.023  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.816  -2.081   0.077  1.00  0.00           S  
HETATM   20  C   UNL     1       0.348  -0.760   0.072  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.576  -1.293   0.001  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.559  -0.303  -0.041  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.835  -0.626  -0.060  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.235  -1.883  -0.040  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.324  -2.922   0.002  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.970  -2.635   0.018  1.00  0.00           C  
HETATM   27  H   UNL     1       6.369  -0.029   0.732  1.00  0.00           H  
HETATM   28  H   UNL     1       7.495  -2.301   0.797  1.00  0.00           H  
HETATM   29  H   UNL     1       5.928  -3.093   0.231  1.00  0.00           H  
HETATM   30  H   UNL     1       5.993  -1.706  -1.891  1.00  0.00           H  
HETATM   31  H   UNL     1       7.559  -0.914  -1.326  1.00  0.00           H  
HETATM   32  H   UNL     1       4.237   1.197   0.110  1.00  0.00           H  
HETATM   33  H   UNL     1       1.084   4.153   1.211  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.669   6.019   0.640  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.967   2.501  -1.260  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.270   0.738  -0.058  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.293  -2.104  -0.052  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.665  -3.947   0.018  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.236  -3.427   0.050  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6    1    1    3                                       
CONECT    3    2    4    5   27                                       
CONECT    4    3    5   28   29                                       
CONECT    5    3    4   30   31                                       
CONECT    6    7    2   32                                            
CONECT    7    8    8    9    6                                       
CONECT    8   20    7    7                                            
CONECT    9   10   10    7                                            
CONECT   10   16   11    9    9                                       
CONECT   11   12   10   15                                            
CONECT   12   13   13   11   33                                       
CONECT   13   12   12   14   34                                       
CONECT   14   13   15   15                                            
CONECT   15   11   14   14   35                                       
CONECT   16   17   20   20   10                                       
CONECT   17   18   18   16                                            
CONECT   18   21   17   17   19                                       
CONECT   19   18   20                                                 
CONECT   20   19   16   16    8                                       
CONECT   21   26   26   22   18                                       
CONECT   22   23   23   21   36                                       
CONECT   23   24   22   22                                            
CONECT   24   25   25   23   37                                       
CONECT   25   24   24   26   38                                       
CONECT   26   25   21   21   39                                       
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   22                                                      
CONECT   37   24                                                      
CONECT   38   25                                                      
CONECT   39   26                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
