COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.337   3.129  -1.337  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.170   2.070  -1.186  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.671   0.866  -0.631  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.272  -0.331  -0.369  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.285  -1.184   0.191  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.098  -0.453   0.247  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.514   1.879  -0.419  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.986   3.022  -0.944  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.471  -2.523   0.613  1.00  0.00           C  
HETATM   10  CA  UNL     1      -0.811   0.050   0.448  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.788   1.105   1.524  1.00  0.00           C  
HETATM   12  C   UNL     1       0.533  -0.681   0.421  1.00  0.00           C  
HETATM   13  C   UNL     1       0.725  -1.444   1.733  1.00  0.00           C  
HETATM   14  C   UNL     1       1.664   0.337   0.254  1.00  0.00           C  
HETATM   15  C   UNL     1       4.044   0.400   0.086  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.340   0.787  -0.252  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.885  -0.911   0.728  1.00  0.00           N  
HETATM   18  N   UNL     1       5.259  -0.181   0.054  1.00  0.00           N  
HETATM   19  O   UNL     1      -5.561  -3.047   0.510  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.584   1.061   2.431  1.00  0.00           O  
HETATM   21  OXT UNL     1       0.119   2.094   1.474  1.00  0.00           O  
HETATM   22  O   UNL     1       1.881  -2.338  -1.149  1.00  0.00           O  
HETATM   23  O   UNL     1       0.360  -0.946  -2.177  1.00  0.00           O  
HETATM   24  O   UNL     1       2.939  -0.357   0.228  1.00  0.00           O  
HETATM   25  O   UNL     1       3.944   1.607  -0.015  1.00  0.00           O  
HETATM   26  S   UNL     1       0.559  -1.848  -0.967  1.00  0.00           S  
HETATM   27  C   UNL     1       6.461   0.642  -0.101  1.00  0.00           C  
HETATM   28  C   UNL     1       7.699  -0.258  -0.105  1.00  0.00           C  
HETATM   29  N   UNL     1       8.903   0.568  -0.261  1.00  0.00           N  
HETATM   30  H   UNL     1      -4.705   4.051  -1.763  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.206   2.145  -1.485  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.306  -0.583  -0.553  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.478   1.815  -0.123  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.325   3.867  -1.066  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.642  -3.078   1.027  1.00  0.00           H  
HETATM   36  HA  UNL     1      -0.988   0.521  -0.519  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.081  -2.169   1.852  1.00  0.00           H  
HETATM   38  H   UNL     1       1.682  -1.965   1.714  1.00  0.00           H  
HETATM   39  H   UNL     1       0.709  -0.743   2.567  1.00  0.00           H  
HETATM   40  H   UNL     1       1.527   0.881  -0.681  1.00  0.00           H  
HETATM   41  H   UNL     1       1.648   1.038   1.088  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.941  -1.114   1.715  1.00  0.00           H  
HETATM   43  H   UNL     1       5.338  -1.145   0.135  1.00  0.00           H  
HETATM   44  HXT UNL     1       0.094   2.748   2.186  1.00  0.00           H  
HETATM   45  H   UNL     1       0.348  -1.417  -3.021  1.00  0.00           H  
HETATM   46  H   UNL     1       6.407   1.190  -1.041  1.00  0.00           H  
HETATM   47  H   UNL     1       6.528   1.347   0.727  1.00  0.00           H  
HETATM   48  H   UNL     1       7.753  -0.806   0.835  1.00  0.00           H  
HETATM   49  H   UNL     1       7.632  -0.963  -0.933  1.00  0.00           H  
HETATM   50  H   UNL     1       9.735  -0.004  -0.267  1.00  0.00           H  
HETATM   51  H   UNL     1       8.848   1.135  -1.094  1.00  0.00           H  
CONECT    1    2    2    8   30                                       
CONECT    2    1    1    3   31                                       
CONECT    3    2    4    4   16                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    6    6    9                                       
CONECT    6    5    5   16   17                                       
CONECT    7    8    8   16   33                                       
CONECT    8    1    7    7   34                                       
CONECT    9    5   19   19   35                                       
CONECT   10   11   12   17   36                                       
CONECT   11   10   20   20   21                                       
CONECT   12   10   13   14   26                                       
CONECT   13   12   37   38   39                                       
CONECT   14   12   24   40   41                                       
CONECT   15   18   24   25   25                                       
CONECT   16    3    6    7                                            
CONECT   17    6   10   42                                            
CONECT   18   15   27   43                                            
CONECT   19    9    9                                                 
CONECT   20   11   11                                                 
CONECT   21   11   44                                                 
CONECT   22   26   26                                                 
CONECT   23   26   45                                                 
CONECT   24   14   15                                                 
CONECT   25   15   15                                                 
CONECT   26   12   22   22   23                                       
CONECT   27   18   28   46   47                                       
CONECT   28   27   29   48   49                                       
CONECT   29   28   50   51                                            
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
