COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.619   2.171   1.183  1.00  0.00           C  
HETATM    2  C   UNL     1       2.819   0.072   0.559  1.00  0.00           C  
HETATM    3  C   UNL     1       4.056   0.715  -0.014  1.00  0.00           C  
HETATM    4  N   UNL     1       2.406  -1.092   0.251  1.00  0.00           N  
HETATM    5  C   UNL     1       3.664   1.922  -0.827  1.00  0.00           C  
HETATM    6  C   UNL     1       4.784  -0.289  -0.910  1.00  0.00           C  
HETATM    7  C   UNL     1       5.182  -1.514  -0.085  1.00  0.00           C  
HETATM    8  S   UNL     1      -0.592   0.596   0.381  1.00  0.00           S  
HETATM    9  C   UNL     1      -3.284   0.378   0.080  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.077   1.268  -0.710  1.00  0.00           O  
HETATM   11  O   UNL     1      -4.533  -0.075   0.269  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.586   0.551  -0.511  1.00  0.00           C  
HETATM   13  O   UNL     1       0.246  -1.833  -1.166  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.929  -0.093  -0.163  1.00  0.00           C  
HETATM   15  OXT UNL     1      -0.746  -2.929   0.477  1.00  0.00           O  
HETATM   16  C   UNL     1      -8.039   0.566  -0.985  1.00  0.00           C  
HETATM   17  O   UNL     1       4.081   3.014  -0.525  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.139  -0.223   0.855  1.00  0.00           C  
HETATM   19  O   UNL     1       3.920  -0.691  -1.975  1.00  0.00           O  
HETATM   20  C   UNL     1       0.620  -0.130   1.519  1.00  0.00           C  
HETATM   21  CA  UNL     1       1.179  -1.461   0.965  1.00  0.00           C  
HETATM   22  C   UNL     1       0.192  -2.088   0.014  1.00  0.00           C  
HETATM   23  C   UNL     1       1.912   0.723   1.579  1.00  0.00           C  
HETATM   24  H   UNL     1       0.885   2.594   1.868  1.00  0.00           H  
HETATM   25  H   UNL     1       2.539   2.755   1.231  1.00  0.00           H  
HETATM   26  H   UNL     1       1.225   2.197   0.167  1.00  0.00           H  
HETATM   27  H   UNL     1       4.715   1.022   0.798  1.00  0.00           H  
HETATM   28  H   UNL     1       3.009   1.810  -1.678  1.00  0.00           H  
HETATM   29  H   UNL     1       5.679   0.177  -1.324  1.00  0.00           H  
HETATM   30  H   UNL     1       4.288  -1.979   0.329  1.00  0.00           H  
HETATM   31  H   UNL     1       5.701  -2.229  -0.724  1.00  0.00           H  
HETATM   32  H   UNL     1       5.841  -1.207   0.727  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.623   1.616  -0.282  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.381   0.414  -1.573  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.892  -1.158  -0.392  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.134   0.043   0.899  1.00  0.00           H  
HETATM   37  HXT UNL     1      -1.356  -3.306  -0.171  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.996   0.108  -0.737  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.076   1.631  -0.756  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.835   0.430  -2.047  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.069  -1.288   0.631  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.311  -0.087   1.922  1.00  0.00           H  
HETATM   43  H   UNL     1       4.317  -1.329  -2.584  1.00  0.00           H  
HETATM   44  H   UNL     1       0.191  -0.265   2.512  1.00  0.00           H  
HETATM   45  HA  UNL     1       1.405  -2.146   1.783  1.00  0.00           H  
HETATM   46  H   UNL     1       2.352   0.682   2.576  1.00  0.00           H  
CONECT    1   23   24   25   26                                       
CONECT    2    4    4   23    3                                       
CONECT    3    2    5    6   27                                       
CONECT    4   21    2    2                                            
CONECT    5   17   17    3   28                                       
CONECT    6    3   19    7   29                                       
CONECT    7    6   30   31   32                                       
CONECT    8   18   20                                                 
CONECT    9   11   10   10   18                                       
CONECT   10    9    9                                                 
CONECT   11   12    9                                                 
CONECT   12   14   11   33   34                                       
CONECT   13   22   22                                                 
CONECT   14   16   12   35   36                                       
CONECT   15   22   37                                                 
CONECT   16   14   38   39   40                                       
CONECT   17    5    5                                                 
CONECT   18    9    8   41   42                                       
CONECT   19    6   43                                                 
CONECT   20    8   21   23   44                                       
CONECT   21   22   20    4   45                                       
CONECT   22   13   13   15   21                                       
CONECT   23   20    1    2   46                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
