COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.503   0.527  -0.387  1.00  0.00           C  
HETATM    2  C   UNL     1       2.590  -0.881  -0.405  1.00  0.00           C  
HETATM    3  C   UNL     1       3.795  -2.941   0.061  1.00  0.00           C  
HETATM    4  C   UNL     1       4.719  -0.754   0.569  1.00  0.00           C  
HETATM    5  C   UNL     1       5.809   1.344   1.151  1.00  0.00           C  
HETATM    6  C   UNL     1       3.563   1.264   0.125  1.00  0.00           C  
HETATM    7  C   UNL     1       2.044   2.668  -0.509  1.00  0.00           C  
HETATM    8  C   UNL     1       0.247   1.143  -1.381  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.775   0.867  -0.277  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.135   0.290  -0.093  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.939   1.215   1.224  1.00  0.00           C  
HETATM   12  N   UNL     1       3.700  -1.479   0.076  1.00  0.00           N  
HETATM   13  N   UNL     1       4.677   0.591   0.605  1.00  0.00           N  
HETATM   14  N   UNL     1       3.232   2.554   0.027  1.00  0.00           N  
HETATM   15  N   UNL     1       1.549   1.443  -0.779  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.076   0.567  -0.879  1.00  0.00           N  
HETATM   17  N   UNL     1      -4.332   0.014  -0.648  1.00  0.00           N  
HETATM   18  O   UNL     1      -5.161  -1.337   1.199  1.00  0.00           O  
HETATM   19  O   UNL     1      -6.690  -0.586  -0.595  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.010   0.290   1.116  1.00  0.00           O  
HETATM   21  O   UNL     1       5.703  -1.328   0.994  1.00  0.00           O  
HETATM   22  S   UNL     1      -5.633  -0.326   0.319  1.00  0.00           S  
HETATM   23  S   UNL     1       1.302  -1.820  -1.029  1.00  0.00           S  
HETATM   24  H   UNL     1       4.245  -3.266  -0.878  1.00  0.00           H  
HETATM   25  H   UNL     1       4.414  -3.273   0.894  1.00  0.00           H  
HETATM   26  H   UNL     1       2.798  -3.371   0.154  1.00  0.00           H  
HETATM   27  H   UNL     1       5.664   1.493   2.220  1.00  0.00           H  
HETATM   28  H   UNL     1       6.730   0.787   0.983  1.00  0.00           H  
HETATM   29  H   UNL     1       5.874   2.312   0.654  1.00  0.00           H  
HETATM   30  H   UNL     1       1.535   3.601  -0.700  1.00  0.00           H  
HETATM   31  H   UNL     1       0.337   0.265  -2.021  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.082   1.994  -1.977  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.445   0.016   0.319  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.864   1.745   0.363  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.790   1.081   1.893  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.056   1.475   1.808  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.156   2.016   0.517  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.175   0.567  -1.844  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.431   0.014  -1.612  1.00  0.00           H  
CONECT    1    6    6   15    2                                       
CONECT    2    1   12   23   23                                       
CONECT    3   12   24   25   26                                       
CONECT    4   13   21   21   12                                       
CONECT    5   13   27   28   29                                       
CONECT    6   14   13    1    1                                       
CONECT    7   14   14   15   30                                       
CONECT    8    9   15   31   32                                       
CONECT    9   16    8   33   34                                       
CONECT   10   17   20   20   16                                       
CONECT   11   22   35   36   37                                       
CONECT   12    4    2    3                                            
CONECT   13    5    6    4                                            
CONECT   14    7    7    6                                            
CONECT   15    7    1    8                                            
CONECT   16   10    9   38                                            
CONECT   17   22   10   39                                            
CONECT   18   22   22                                                 
CONECT   19   22   22                                                 
CONECT   20   10   10                                                 
CONECT   21    4    4                                                 
CONECT   22   19   19   11   18                                       
CONECT   22   18   17                                                 
CONECT   23    2    2                                                 
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
