COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.672  -2.288   0.470  1.00  0.00           C  
HETATM    2  N   UNL     1       0.513  -0.287  -0.224  1.00  0.00           N  
HETATM    3  O   UNL     1       0.012  -2.856  -0.346  1.00  0.00           O  
HETATM    4  CA  UNL     1      -0.520  -0.803   0.677  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.850  -0.107   0.379  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.142  -1.472  -1.342  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.755   1.013  -1.374  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.878   1.828   1.626  1.00  0.00           O  
HETATM    9  O   UNL     1       1.685   2.210  -0.536  1.00  0.00           O  
HETATM   10  O   UNL     1       2.122  -0.814   1.210  1.00  0.00           O  
HETATM   11  OXT UNL     1      -5.989   1.391   1.138  1.00  0.00           O  
HETATM   12  O   UNL     1       3.455   2.341  -1.854  1.00  0.00           O  
HETATM   13  C   UNL     1       6.714  -0.306   1.013  1.00  0.00           C  
HETATM   14  C   UNL     1       6.435  -0.914  -0.196  1.00  0.00           C  
HETATM   15  C   UNL     1       5.750   0.461   1.641  1.00  0.00           C  
HETATM   16  C   UNL     1       5.192  -0.753  -0.779  1.00  0.00           C  
HETATM   17  C   UNL     1       4.508   0.622   1.057  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.930  -0.605   1.277  1.00  0.00           N  
HETATM   19  S   UNL     1      -2.507  -0.609  -1.266  1.00  0.00           S  
HETATM   20  C   UNL     1      -4.693   1.047   1.194  1.00  0.00           C  
HETATM   21  C   UNL     1       2.627   1.655  -1.050  1.00  0.00           C  
HETATM   22  C   UNL     1       1.810  -0.340   0.138  1.00  0.00           C  
HETATM   23  C   UNL     1       4.228   0.015  -0.153  1.00  0.00           C  
HETATM   24  CA  UNL     1      -4.253  -0.313   0.717  1.00  0.00           C  
HETATM   25  C   UNL     1       2.873   0.191  -0.789  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.268  -0.329  -0.823  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.396  -2.842   1.048  1.00  0.00           H  
HETATM   28  H   UNL     1       0.264   0.092  -1.081  1.00  0.00           H  
HETATM   29  HA  UNL     1      -0.232  -0.608   1.710  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.749   0.976   0.449  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.106  -1.492  -2.431  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.772  -2.420  -0.949  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.170  -1.321  -1.015  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.780   1.188  -1.048  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.114   1.812  -1.004  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.720   0.993  -2.464  1.00  0.00           H  
HETATM   37  HXT UNL     1      -6.223   2.274   1.455  1.00  0.00           H  
HETATM   38  H   UNL     1       3.256   3.278  -1.991  1.00  0.00           H  
HETATM   39  H   UNL     1       7.684  -0.435   1.471  1.00  0.00           H  
HETATM   40  H   UNL     1       7.188  -1.513  -0.686  1.00  0.00           H  
HETATM   41  H   UNL     1       5.969   0.936   2.586  1.00  0.00           H  
HETATM   42  H   UNL     1       4.973  -1.227  -1.725  1.00  0.00           H  
HETATM   43  H   UNL     1       3.755   1.222   1.547  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.823  -1.592   1.457  1.00  0.00           H  
HETATM   45  HA  UNL     1      -4.961  -1.058   1.081  1.00  0.00           H  
HETATM   46  H   UNL     1       2.840  -0.357  -1.731  1.00  0.00           H  
CONECT    1    3    3    4   27                                       
CONECT    2    4   22   28                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   29                                       
CONECT    5    4   18   19   30                                       
CONECT    6   26   31   32   33                                       
CONECT    7   26   34   35   36                                       
CONECT    8   20   20                                                 
CONECT    9   21   21                                                 
CONECT   10   22   22                                                 
CONECT   11   20   37                                                 
CONECT   12   21   38                                                 
CONECT   13   14   14   15   39                                       
CONECT   14   13   13   16   40                                       
CONECT   15   13   17   17   41                                       
CONECT   16   14   23   23   42                                       
CONECT   17   15   15   23   43                                       
CONECT   18    5   24   44                                            
CONECT   19    5   26                                                 
CONECT   20    8    8   11   24                                       
CONECT   21    9    9   12   25                                       
CONECT   22    2   10   10   25                                       
CONECT   23   16   16   17   25                                       
CONECT   24   18   20   26   45                                       
CONECT   25   21   22   23   46                                       
CONECT   26    6    7   19   24                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
