COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -1.899   1.069   1.618  1.00  0.00           S  
HETATM    2  C   UNL     1      -2.277   0.732   3.367  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.341  -0.371   3.817  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.792  -1.377   4.560  1.00  0.00           C  
HETATM    5  CA  UNL     1       0.074  -0.307   3.428  1.00  0.00           C  
HETATM    6  C   UNL     1       1.012  -1.246   4.099  1.00  0.00           C  
HETATM    7  O   UNL     1       2.291  -1.330   3.687  1.00  0.00           O  
HETATM    8  OXT UNL     1       0.625  -1.937   5.018  1.00  0.00           O  
HETATM    9  N   UNL     1       0.562   0.487   2.556  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.143   1.497   1.786  1.00  0.00           C  
HETATM   11  CA  UNL     1       0.483   1.599   0.394  1.00  0.00           C  
HETATM   12  C   UNL     1       1.934   1.986   0.524  1.00  0.00           C  
HETATM   13  O   UNL     1       2.794   1.255   0.095  1.00  0.00           O  
HETATM   14  N   UNL     1       0.382   0.304  -0.282  1.00  0.00           N  
HETATM   15  C   UNL     1       0.282   0.252  -1.625  1.00  0.00           C  
HETATM   16  O   UNL     1       0.277   1.277  -2.273  1.00  0.00           O  
HETATM   17  C   UNL     1       0.178  -1.079  -2.322  1.00  0.00           C  
HETATM   18  C   UNL     1       0.079  -0.861  -3.810  1.00  0.00           C  
HETATM   19  C   UNL     1       1.073  -0.775  -4.728  1.00  0.00           C  
HETATM   20  C   UNL     1       0.744  -0.573  -6.056  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.562  -0.457  -6.398  1.00  0.00           C  
HETATM   22  S   UNL     1      -1.375  -0.642  -4.820  1.00  0.00           S  
HETATM   23  H   UNL     1      -2.113   1.629   3.963  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.312   0.403   3.467  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.149  -2.216   4.781  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.802  -1.356   4.943  1.00  0.00           H  
HETATM   27  H   UNL     1       2.900  -1.941   4.123  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.055   2.459   2.291  1.00  0.00           H  
HETATM   29  HA  UNL     1      -0.043   2.355  -0.186  1.00  0.00           H  
HETATM   30  H   UNL     1       2.204   2.916   1.001  1.00  0.00           H  
HETATM   31  H   UNL     1       0.386  -0.515   0.235  1.00  0.00           H  
HETATM   32  H   UNL     1       1.063  -1.676  -2.101  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.710  -1.604  -1.972  1.00  0.00           H  
HETATM   34  H   UNL     1       2.106  -0.870  -4.428  1.00  0.00           H  
HETATM   35  H   UNL     1       1.516  -0.505  -6.807  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.997  -0.295  -7.373  1.00  0.00           H  
CONECT    1    2   10                                                 
CONECT    2    1    3   23   24                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3   25   26                                       
CONECT    5    3    6    9    9                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   27                                                 
CONECT    8    6    6                                                 
CONECT    9    5    5   10                                            
CONECT   10    1    9   11   28                                       
CONECT   11   10   12   14   29                                       
CONECT   12   11   13   13   30                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   31                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   32   33                                       
CONECT   18   17   19   19   22                                       
CONECT   19   18   18   20   34                                       
CONECT   20   19   21   21   35                                       
CONECT   21   20   20   22   36                                       
CONECT   22   18   21                                                 
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    7                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   14                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
