COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1       1.425   3.183  -0.780  1.00  0.00           O  
HETATM    2  C   UNL     1       1.927   2.066  -0.218  1.00  0.00           C  
HETATM    3  O   UNL     1       3.128   1.911  -0.144  1.00  0.00           O  
HETATM    4  CA  UNL     1       1.011   1.027   0.309  1.00  0.00           C  
HETATM    5  C   UNL     1       1.461  -0.309   0.858  1.00  0.00           C  
HETATM    6  S   UNL     1       2.696  -1.064  -0.235  1.00  0.00           S  
HETATM    7  C   UNL     1       3.210  -2.539   0.687  1.00  0.00           C  
HETATM    8  C   UNL     1       0.165  -1.155   0.880  1.00  0.00           C  
HETATM    9  C   UNL     1       0.030  -1.992  -0.394  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.908  -0.041   0.932  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.256   1.145   0.364  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.125  -0.436   0.093  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.743  -0.463  -1.365  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.848  -1.486  -1.998  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.245   0.584   0.308  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.607   0.609   1.690  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.462   0.189  -0.531  1.00  0.00           C  
HETATM   18  HXT UNL     1       2.061   3.832  -1.109  1.00  0.00           H  
HETATM   19  H   UNL     1       1.860  -0.194   1.866  1.00  0.00           H  
HETATM   20  H   UNL     1       3.547  -2.247   1.681  1.00  0.00           H  
HETATM   21  H   UNL     1       2.367  -3.224   0.775  1.00  0.00           H  
HETATM   22  H   UNL     1       4.025  -3.033   0.157  1.00  0.00           H  
HETATM   23  H   UNL     1       0.121  -1.785   1.768  1.00  0.00           H  
HETATM   24  H   UNL     1       0.823  -2.740  -0.423  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.939  -2.489  -0.402  1.00  0.00           H  
HETATM   26  H   UNL     1       0.112  -1.342  -1.266  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.205   0.150   1.963  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.470  -1.424   0.396  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.375   0.433  -1.844  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.899   1.572   0.004  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.924  -0.239   2.029  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.807  -0.799  -0.228  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.260   0.916  -0.378  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.186   0.170  -1.585  1.00  0.00           H  
CONECT    1    2   18                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   11   11                                       
CONECT    5    4    6    8   19                                       
CONECT    6    7    5                                                 
CONECT    7    6   20   21   22                                       
CONECT    8    5   10    9   23                                       
CONECT    9    8   24   25   26                                       
CONECT   10   11    8   12   27                                       
CONECT   11    4    4   10                                            
CONECT   12   10   13   15   28                                       
CONECT   13   14   14   12   29                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   30                                       
CONECT   16   15   31                                                 
CONECT   17   15   32   33   34                                       
CONECT   18    1                                                      
CONECT   19    5                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
