COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.934   0.207   0.123  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.698  -1.802  -0.463  1.00  0.00           N  
HETATM    3  C   UNL     1       1.484   0.235  -0.077  1.00  0.00           C  
HETATM    4  C   UNL     1       2.756  -0.500   0.261  1.00  0.00           C  
HETATM    5  S   UNL     1       4.184   0.508  -0.224  1.00  0.00           S  
HETATM    6  C   UNL     1       5.595  -0.526   0.254  1.00  0.00           C  
HETATM    7  C   UNL     1       6.898   0.196  -0.095  1.00  0.00           C  
HETATM    8  C   UNL     1       8.089  -0.676   0.308  1.00  0.00           C  
HETATM    9  CA  UNL     1      -4.666  -0.576   0.347  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.462   0.274  -0.062  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.966   0.379  -0.128  1.00  0.00           C  
HETATM   12  N   UNL     1       0.270  -0.336   0.200  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.171  -0.472   0.280  1.00  0.00           C  
HETATM   14  N   UNL     1       1.540   1.403  -0.628  1.00  0.00           N  
HETATM   15  OXT UNL     1      -6.604   0.003  -0.862  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.321   1.127   1.020  1.00  0.00           O  
HETATM   17  H1  UNL     1      -5.447  -2.411  -0.169  1.00  0.00           H  
HETATM   18  H2  UNL     1      -4.775  -1.584  -1.446  1.00  0.00           H  
HETATM   19  H   UNL     1       2.792  -0.689   1.334  1.00  0.00           H  
HETATM   20  H   UNL     1       2.782  -1.448  -0.276  1.00  0.00           H  
HETATM   21  H   UNL     1       5.561  -0.715   1.327  1.00  0.00           H  
HETATM   22  H   UNL     1       5.550  -1.474  -0.283  1.00  0.00           H  
HETATM   23  H   UNL     1       6.933   0.384  -1.168  1.00  0.00           H  
HETATM   24  H   UNL     1       6.944   1.143   0.442  1.00  0.00           H  
HETATM   25  H   UNL     1       8.054  -0.865   1.381  1.00  0.00           H  
HETATM   26  H   UNL     1       8.043  -1.624  -0.229  1.00  0.00           H  
HETATM   27  H   UNL     1       9.017  -0.162   0.060  1.00  0.00           H  
HETATM   28  HA  UNL     1      -4.583  -0.840   1.401  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.498   0.463  -1.135  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.487   1.222   0.475  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.992   1.327   0.409  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.135  -0.661   1.353  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.145  -1.420  -0.257  1.00  0.00           H  
HETATM   34  H   UNL     1       0.721   1.876  -0.846  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.141   1.605   0.833  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.003   0.568  -1.201  1.00  0.00           H  
HETATM   37  H   UNL     1       0.228  -1.212   0.613  1.00  0.00           H  
CONECT    1   16    9   15   15                                       
CONECT    2    9   17   18                                            
CONECT    3    4   12   14   14                                       
CONECT    4    3   19   20    5                                       
CONECT    5    4    6                                                 
CONECT    6    5    7   21   22                                       
CONECT    7    6    8   23   24                                       
CONECT    8    7   25   26   27                                       
CONECT    9    2    1   10   28                                       
CONECT   10    9   29   30   13                                       
CONECT   11   31   12   13   36                                       
CONECT   12    3   11   37                                            
CONECT   13   10   11   32   33                                       
CONECT   14    3    3   34                                            
CONECT   15    1    1                                                 
CONECT   16    1   35                                                 
CONECT   17    2                                                      
CONECT   18    2                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
