COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.263   0.229  -1.349  1.00  0.00           C  
HETATM    2  C   UNL     1       1.225   0.054  -2.868  1.00  0.00           C  
HETATM    3  C   UNL     1       0.985  -2.688   0.903  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.924   0.247  -0.153  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.424   0.110  -0.108  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.224   1.665   1.581  1.00  0.00           C  
HETATM    7  C   UNL     1       3.117   1.365  -0.073  1.00  0.00           C  
HETATM    8  C   UNL     1       2.270   1.506   1.166  1.00  0.00           C  
HETATM    9  C   UNL     1       2.706   0.100  -0.829  1.00  0.00           C  
HETATM   10  CA  UNL     1       1.363  -1.572   0.120  1.00  0.00           C  
HETATM   11  C   UNL     1       0.510  -0.891  -0.669  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.613   0.904   0.404  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.211   1.423  -0.905  1.00  0.00           C  
HETATM   14  N   UNL     1       2.671  -1.053   0.081  1.00  0.00           N  
HETATM   15  O   UNL     1       1.575   2.482   1.314  1.00  0.00           O  
HETATM   16  OXT UNL     1       1.922  -3.382   1.585  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.183  -3.023   0.963  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.175   1.105   0.392  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.952  -0.895  -0.522  1.00  0.00           O  
HETATM   20  S   UNL     1      -1.203  -1.247  -0.875  1.00  0.00           S  
HETATM   21  H   UNL     1       0.843   1.195  -1.068  1.00  0.00           H  
HETATM   22  H   UNL     1       1.636  -0.921  -3.132  1.00  0.00           H  
HETATM   23  H   UNL     1       0.194   0.119  -3.215  1.00  0.00           H  
HETATM   24  H   UNL     1       1.817   0.838  -3.340  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.656   1.111  -0.762  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.541   0.383   0.859  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.007   2.728   1.479  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.304   1.514   1.590  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.798   1.295   2.514  1.00  0.00           H  
HETATM   30  H   UNL     1       2.971   2.234  -0.713  1.00  0.00           H  
HETATM   31  H   UNL     1       2.285   0.734   1.921  1.00  0.00           H  
HETATM   32  H   UNL     1       3.392  -0.087  -1.656  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.830  -0.160   0.506  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.993   2.486  -1.008  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.775   0.880  -1.744  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.290   1.272  -0.897  1.00  0.00           H  
HETATM   37  H   UNL     1       3.429  -1.401   0.577  1.00  0.00           H  
HETATM   38  HXT UNL     1       1.569  -4.126   2.091  1.00  0.00           H  
HETATM   39  C   UNL     1       4.590   1.265   0.326  1.00  0.00           C  
HETATM   40  O   UNL     1       5.393   1.131  -0.849  1.00  0.00           O  
HETATM   41  C   UNL     1       5.001   2.530   1.082  1.00  0.00           C  
HETATM   42  H   UNL     1       4.736   0.396   0.966  1.00  0.00           H  
HETATM   43  H   UNL     1       5.314   1.872  -1.466  1.00  0.00           H  
HETATM   44  H   UNL     1       4.388   2.632   1.978  1.00  0.00           H  
HETATM   45  H   UNL     1       6.051   2.460   1.366  1.00  0.00           H  
HETATM   46  H   UNL     1       4.855   3.400   0.442  1.00  0.00           H  
CONECT    1   11    9    2   21                                       
CONECT    2    1   22   23   24                                       
CONECT    3   17   17   16   10                                       
CONECT    4    5   20   25   26                                       
CONECT    5   18   19   19    4                                       
CONECT    6   12   27   28   29                                       
CONECT    7    9    8   30   39                                       
CONECT    8    7   15   15   31                                       
CONECT    9   14    1    7   32                                       
CONECT   10    3   14   11   11                                       
CONECT   11   10   10   20    1                                       
CONECT   12   13    6   18   33                                       
CONECT   13   12   34   35   36                                       
CONECT   14   10    9   37                                            
CONECT   15    8    8                                                 
CONECT   16    3   38                                                 
CONECT   17    3    3                                                 
CONECT   18   12    5                                                 
CONECT   19    5    5                                                 
CONECT   20    4   11                                                 
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39    7   40   41   42                                       
CONECT   40   39   43                                                 
CONECT   41   39   44   45   46                                       
CONECT   42   39                                                      
CONECT   43   40                                                      
CONECT   44   41                                                      
CONECT   45   41                                                      
CONECT   46   41                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
