COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.537   2.364  -0.044  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.554   1.952  -0.624  1.00  0.00           C  
HETATM    3  OXT UNL     1      -0.116   2.576  -1.734  1.00  0.00           O  
HETATM    4  CA  UNL     1       0.170   0.766  -0.107  1.00  0.00           C  
HETATM    5  N   UNL     1       1.208   0.264  -0.647  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.226  -0.002   1.135  1.00  0.00           C  
HETATM    7  C   UNL     1       1.033  -0.837   1.470  1.00  0.00           C  
HETATM    8  C   UNL     1       1.711  -0.907   0.079  1.00  0.00           C  
HETATM    9  C   UNL     1       3.231  -0.823   0.224  1.00  0.00           C  
HETATM   10  C   UNL     1       3.601   0.479   0.886  1.00  0.00           C  
HETATM   11  O   UNL     1       2.737   1.260   1.209  1.00  0.00           O  
HETATM   12  O   UNL     1       4.891   0.772   1.117  1.00  0.00           O  
HETATM   13  C   UNL     1       3.880  -0.894  -1.160  1.00  0.00           C  
HETATM   14  O   UNL     1       3.530  -2.128  -1.788  1.00  0.00           O  
HETATM   15  C   UNL     1       5.401  -0.809  -1.015  1.00  0.00           C  
HETATM   16  S   UNL     1      -1.638  -1.087   0.790  1.00  0.00           S  
HETATM   17  C   UNL     1      -2.982   0.084   0.455  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.265  -0.687   0.141  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.350   0.259  -0.129  1.00  0.00           N  
HETATM   20  C   UNL     1      -6.602  -0.204  -0.437  1.00  0.00           C  
HETATM   21  N   UNL     1      -6.826  -1.477  -0.488  1.00  0.00           N  
HETATM   22  HXT UNL     1      -0.618   3.347  -2.031  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.462   0.683   1.950  1.00  0.00           H  
HETATM   24  H   UNL     1       1.665  -0.324   2.194  1.00  0.00           H  
HETATM   25  H   UNL     1       0.763  -1.833   1.823  1.00  0.00           H  
HETATM   26  H   UNL     1       1.429  -1.827  -0.433  1.00  0.00           H  
HETATM   27  H   UNL     1       3.585  -1.654   0.834  1.00  0.00           H  
HETATM   28  H   UNL     1       5.079   1.619   1.544  1.00  0.00           H  
HETATM   29  H   UNL     1       3.527  -0.062  -1.770  1.00  0.00           H  
HETATM   30  H   UNL     1       3.814  -2.913  -1.299  1.00  0.00           H  
HETATM   31  H   UNL     1       5.755  -1.640  -0.405  1.00  0.00           H  
HETATM   32  H   UNL     1       5.864  -0.859  -2.001  1.00  0.00           H  
HETATM   33  H   UNL     1       5.669   0.133  -0.536  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.141   0.714   1.331  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.715   0.709  -0.397  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.105  -1.316  -0.734  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.531  -1.312   0.994  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.182   1.214  -0.091  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.402   0.494  -0.636  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.713  -1.804  -0.706  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   22                                                 
CONECT    4    6    5    5    2                                       
CONECT    5    8    4    4                                            
CONECT    6    7    4   16   23                                       
CONECT    7    6    8   24   25                                       
CONECT    8    7    9    5   26                                       
CONECT    9   13   10    8   27                                       
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   28                                                 
CONECT   13   15   14    9   29                                       
CONECT   14   13   30                                                 
CONECT   15   13   31   32   33                                       
CONECT   16    6   17                                                 
CONECT   17   16   18   34   35                                       
CONECT   18   17   19   36   37                                       
CONECT   19   20   18   38                                            
CONECT   20   21   21   19   39                                       
CONECT   21   20   20   40                                            
CONECT   22    3                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
