COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.554   1.381  -0.030  1.00  0.00           C  
HETATM    2  C   UNL     1       0.534   2.658   0.618  1.00  0.00           C  
HETATM    3  N   UNL     1       0.518   3.670   1.132  1.00  0.00           N  
HETATM    4  C   UNL     1       1.710   0.620  -0.024  1.00  0.00           C  
HETATM    5  N   UNL     1       1.706  -0.642  -0.574  1.00  0.00           N  
HETATM    6  S   UNL     1       3.186   1.266   0.689  1.00  0.00           S  
HETATM    7  C   UNL     1       4.240  -0.138   0.536  1.00  0.00           C  
HETATM    8  C   UNL     1       4.797  -0.463  -0.700  1.00  0.00           C  
HETATM    9  C   UNL     1       5.625  -1.570  -0.813  1.00  0.00           C  
HETATM   10  C   UNL     1       5.896  -2.346   0.298  1.00  0.00           C  
HETATM   11  C   UNL     1       5.344  -2.024   1.524  1.00  0.00           C  
HETATM   12  C   UNL     1       4.522  -0.920   1.647  1.00  0.00           C  
HETATM   13  N   UNL     1       4.521   0.324  -1.824  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.667   0.870  -0.704  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.176   1.537  -1.865  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.579   2.066  -2.786  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.313  -0.249  -0.211  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.896  -0.819   0.971  1.00  0.00           N  
HETATM   19  S   UNL     1      -2.670  -0.944  -1.094  1.00  0.00           S  
HETATM   20  C   UNL     1      -3.976  -0.611   0.041  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.255  -1.115  -0.197  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.279  -0.850   0.701  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.030  -0.087   1.827  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.763   0.413   2.062  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.735   0.148   1.177  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.505  -1.887  -1.337  1.00  0.00           N  
HETATM   27  H   UNL     1       0.919  -0.966  -1.040  1.00  0.00           H  
HETATM   28  H   UNL     1       2.491  -1.207  -0.496  1.00  0.00           H  
HETATM   29  H   UNL     1       6.058  -1.825  -1.769  1.00  0.00           H  
HETATM   30  H   UNL     1       6.542  -3.208   0.208  1.00  0.00           H  
HETATM   31  H   UNL     1       5.558  -2.635   2.388  1.00  0.00           H  
HETATM   32  H   UNL     1       4.096  -0.668   2.607  1.00  0.00           H  
HETATM   33  H   UNL     1       3.941   1.098  -1.743  1.00  0.00           H  
HETATM   34  H   UNL     1       4.909   0.097  -2.683  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.201  -0.393   1.496  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.297  -1.647   1.278  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.270  -1.238   0.520  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.828   0.119   2.524  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.574   1.009   2.943  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.745   0.536   1.367  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.788  -2.071  -1.964  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.394  -2.237  -1.501  1.00  0.00           H  
CONECT    1    2    4    4   14                                       
CONECT    2    1    3    3    3                                       
CONECT    3    2    2    2                                            
CONECT    4    1    1    5    6                                       
CONECT    5    4   27   28                                            
CONECT    6    4    7                                                 
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   13                                       
CONECT    9    8   10   10   29                                       
CONECT   10    9    9   11   30                                       
CONECT   11   10   12   12   31                                       
CONECT   12    7   11   11   32                                       
CONECT   13    8   33   34                                            
CONECT   14    1   15   17   17                                       
CONECT   15   14   16   16   16                                       
CONECT   16   15   15   15                                            
CONECT   17   14   14   18   19                                       
CONECT   18   17   35   36                                            
CONECT   19   17   20                                                 
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   26                                       
CONECT   22   21   23   23   37                                       
CONECT   23   22   22   24   38                                       
CONECT   24   23   25   25   39                                       
CONECT   25   20   24   24   40                                       
CONECT   26   21   41   42                                            
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
