COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.639   0.451  -2.784  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.116   0.001  -1.531  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.467   1.224  -0.681  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.191   0.767   0.589  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.348  -0.053   0.205  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.135  -1.202  -0.686  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.400  -0.723  -1.942  1.00  0.00           C  
HETATM    8  S   UNL     1      -3.863   0.311   0.765  1.00  0.00           S  
HETATM    9  O   UNL     1      -4.554  -0.931   0.740  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.630   0.995   1.988  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.545   1.443  -0.477  1.00  0.00           C  
HETATM   12  N   UNL     1       0.729  -0.909  -0.753  1.00  0.00           N  
HETATM   13  C   UNL     1       0.489  -2.228  -0.516  1.00  0.00           C  
HETATM   14  N   UNL     1       1.445  -2.730   0.211  1.00  0.00           N  
HETATM   15  C   UNL     1       2.359  -1.767   0.487  1.00  0.00           C  
HETATM   16  C   UNL     1       1.911  -0.589  -0.134  1.00  0.00           C  
HETATM   17  C   UNL     1       2.692   0.568  -0.004  1.00  0.00           C  
HETATM   18  C   UNL     1       2.573   1.946  -0.481  1.00  0.00           C  
HETATM   19  C   UNL     1       3.648   2.610  -0.029  1.00  0.00           C  
HETATM   20  N   UNL     1       4.442   1.766   0.699  1.00  0.00           N  
HETATM   21  C   UNL     1       3.885   0.509   0.734  1.00  0.00           C  
HETATM   22  N   UNL     1       4.267  -0.634   1.300  1.00  0.00           N  
HETATM   23  C   UNL     1       3.559  -1.736   1.207  1.00  0.00           C  
HETATM   24  H   UNL     1       1.554   0.965  -2.492  1.00  0.00           H  
HETATM   25  H   UNL     1       0.889  -0.420  -3.390  1.00  0.00           H  
HETATM   26  H   UNL     1       0.010   1.128  -3.363  1.00  0.00           H  
HETATM   27  H   UNL     1       0.447   1.752  -0.408  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.116   1.889  -1.250  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.512   0.175   1.204  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.530   1.638   1.150  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.533  -1.954  -0.175  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.097  -1.630  -0.967  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.040  -0.039  -2.499  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.151  -1.580  -2.567  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.579   0.943  -1.445  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.554   1.737  -0.186  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.914   2.329  -0.547  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.368  -2.776  -0.878  1.00  0.00           H  
HETATM   39  H   UNL     1       1.773   2.351  -1.083  1.00  0.00           H  
HETATM   40  H   UNL     1       3.855   3.654  -0.211  1.00  0.00           H  
HETATM   41  H   UNL     1       5.275   2.017   1.127  1.00  0.00           H  
HETATM   42  H   UNL     1       3.914  -2.637   1.685  1.00  0.00           H  
CONECT    1    2   24   25   26                                       
CONECT    2    1    3    7   12                                       
CONECT    3    2    4   27   28                                       
CONECT    4    3    5   29   30                                       
CONECT    5    4    6    8                                            
CONECT    6    5    7   31   32                                       
CONECT    7    2    6   33   34                                       
CONECT    8    5    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   35   36   37                                       
CONECT   12    2   13   16                                            
CONECT   13   12   14   14   38                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   16   23                                       
CONECT   16   12   15   15   17                                       
CONECT   17   16   18   21   21                                       
CONECT   18   17   19   19   39                                       
CONECT   19   18   18   20   40                                       
CONECT   20   19   21   41                                            
CONECT   21   17   17   20   22                                       
CONECT   22   21   23   23                                            
CONECT   23   15   22   22   42                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
