COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       4.559   0.063  -0.435  1.00  0.00           C  
HETATM    2  N   UNL     1       4.506  -0.689  -1.696  1.00  0.00           N  
HETATM    3  O   UNL     1      -0.316   0.916  -1.222  1.00  0.00           O  
HETATM    4  S   UNL     1      -5.262  -2.632   0.294  1.00  0.00           S  
HETATM    5  C   UNL     1       3.332  -0.277   0.413  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.611   0.164   0.415  1.00  0.00           N  
HETATM    7  O   UNL     1      -4.112   2.729  -0.446  1.00  0.00           O  
HETATM    8  C   UNL     1       2.069   0.213  -0.298  1.00  0.00           C  
HETATM    9  OXT UNL     1      -2.289   2.666   0.801  1.00  0.00           O  
HETATM   10  C   UNL     1       0.842  -0.127   0.550  1.00  0.00           C  
HETATM   11  O   UNL     1       6.285   0.507   1.273  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.402   0.355  -0.150  1.00  0.00           C  
HETATM   13  OXT UNL     1       6.385  -1.341   0.065  1.00  0.00           O  
HETATM   14  CA  UNL     1      -2.820   0.633  -0.265  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.020  -0.197   0.197  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.839  -1.648  -0.253  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.054   2.084   0.069  1.00  0.00           C  
HETATM   18  C   UNL     1       5.810  -0.309   0.319  1.00  0.00           C  
HETATM   19  HA  UNL     1       4.568   1.131  -0.650  1.00  0.00           H  
HETATM   20  H1  UNL     1       4.497  -1.683  -1.524  1.00  0.00           H  
HETATM   21  H2  UNL     1       3.711  -0.411  -2.250  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.972  -3.863  -0.163  1.00  0.00           H  
HETATM   23  H   UNL     1       3.275  -1.357   0.553  1.00  0.00           H  
HETATM   24  H   UNL     1       3.415   0.211   1.384  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.680  -0.285   1.273  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.221   3.659  -0.203  1.00  0.00           H  
HETATM   27  H   UNL     1       2.126   1.292  -0.438  1.00  0.00           H  
HETATM   28  H   UNL     1       1.986  -0.275  -1.269  1.00  0.00           H  
HETATM   29  H   UNL     1       0.785  -1.207   0.690  1.00  0.00           H  
HETATM   30  H   UNL     1       0.925   0.361   1.521  1.00  0.00           H  
HETATM   31  H   UNL     1       7.090   0.226   1.730  1.00  0.00           H  
HETATM   32  HA  UNL     1      -2.696   0.524  -1.343  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.090  -0.159   1.283  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.932   0.209  -0.241  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.927  -2.053   0.184  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.769  -1.685  -1.340  1.00  0.00           H  
CONECT    1    5   18    2   19                                       
CONECT    2    1   20   21                                            
CONECT    3   12   12                                                 
CONECT    4   16   22                                                 
CONECT    5    1    8   23   24                                       
CONECT    6   14   12   25                                            
CONECT    7   17   26                                                 
CONECT    8    5   10   27   28                                       
CONECT    9   17   17                                                 
CONECT   10    8   12   29   30                                       
CONECT   11   18   31                                                 
CONECT   12    3    3    6   10                                       
CONECT   13   18   18                                                 
CONECT   14    6   17   15   32                                       
CONECT   15   14   16   33   34                                       
CONECT   16    4   15   35   36                                       
CONECT   17    7    9    9   14                                       
CONECT   18    1   11   13   13                                       
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    2                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
