COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.682  -0.092   0.125  1.00  0.00           N  
HETATM    2  N   UNL     1       6.153  -0.373   1.626  1.00  0.00           N  
HETATM    3  C   UNL     1      -5.098  -0.255  -0.036  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.850  -0.876   0.536  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.448  -0.466   0.516  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.247   0.340   0.094  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.384   1.771   0.618  1.00  0.00           C  
HETATM    8  C   UNL     1       3.404  -0.694   0.602  1.00  0.00           C  
HETATM    9  C   UNL     1       7.030  -0.680  -0.619  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.729  -0.744  -1.756  1.00  0.00           C  
HETATM   11  C   UNL     1       4.603  -0.316  -0.269  1.00  0.00           C  
HETATM   12  CA  UNL     1       5.871  -0.950   0.305  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.456  -0.156  -0.371  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.673  -0.381   0.529  1.00  0.00           C  
HETATM   15  C   UNL     1       2.154  -0.069   0.037  1.00  0.00           C  
HETATM   16  N   UNL     1       0.967  -0.267   0.644  1.00  0.00           N  
HETATM   17  O   UNL     1      -6.296  -0.808   0.212  1.00  0.00           O  
HETATM   18  O   UNL     1      -5.021   0.740  -0.716  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.304  -1.451   1.209  1.00  0.00           O  
HETATM   20  O   UNL     1       2.217   0.612  -0.965  1.00  0.00           O  
HETATM   21  OXT UNL     1       7.197  -1.426  -1.722  1.00  0.00           O  
HETATM   22  O   UNL     1       7.810   0.207  -0.366  1.00  0.00           O  
HETATM   23  S   UNL     1       0.986   2.780  -0.014  1.00  0.00           S  
HETATM   24  H   UNL     1      -2.797   0.693  -0.432  1.00  0.00           H  
HETATM   25  H1  UNL     1       6.949  -0.821   2.055  1.00  0.00           H  
HETATM   26  H2  UNL     1       6.290   0.625   1.562  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.750  -1.897   0.167  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.915  -0.888   1.624  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.184   0.356  -0.994  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.331   2.193   0.281  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.356   1.764   1.707  1.00  0.00           H  
HETATM   32  H   UNL     1       3.293  -1.778   0.617  1.00  0.00           H  
HETATM   33  H   UNL     1       3.563  -0.332   1.618  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.921  -1.814  -1.665  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.599  -0.255  -2.194  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.862  -0.584  -2.397  1.00  0.00           H  
HETATM   37  H   UNL     1       4.443  -0.678  -1.285  1.00  0.00           H  
HETATM   38  H   UNL     1       4.714   0.768  -0.284  1.00  0.00           H  
HETATM   39  HA  UNL     1       5.727  -2.026   0.403  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.264   0.914  -0.462  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.865  -1.450   0.619  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.478   0.039   1.515  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.543   0.109   0.091  1.00  0.00           H  
HETATM   44  H   UNL     1       0.917  -0.812   1.445  1.00  0.00           H  
HETATM   45  HXT UNL     1       7.955  -1.216  -2.284  1.00  0.00           H  
HETATM   46  H   UNL     1       0.740   3.991   0.518  1.00  0.00           H  
CONECT    1    5    4   24                                            
CONECT    2   12   25   26                                            
CONECT    3    4   17   18   18                                       
CONECT    4    1    3   27   28                                       
CONECT    5   19   19    6    1                                       
CONECT    6    7   16    5   29                                       
CONECT    7    6   23   30   31                                       
CONECT    8   11   15   32   33                                       
CONECT    9   22   22   21   12                                       
CONECT   10   13   34   35   36                                       
CONECT   11   12    8   37   38                                       
CONECT   12    9   11    2   39                                       
CONECT   13   17   14   10   40                                       
CONECT   14   13   41   42   43                                       
CONECT   15   20   20    8   16                                       
CONECT   16   15    6   44                                            
CONECT   17    3   13                                                 
CONECT   18    3    3                                                 
CONECT   19    5    5                                                 
CONECT   20   15   15                                                 
CONECT   21    9   45                                                 
CONECT   22    9    9                                                 
CONECT   23    7   46                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
