COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.524   0.383  -1.043  1.00  0.00           C  
HETATM    2  C   UNL     1       3.851   0.089  -0.392  1.00  0.00           C  
HETATM    3  C   UNL     1       4.545  -1.042  -0.535  1.00  0.00           C  
HETATM    4  C   UNL     1       5.740  -1.085   0.161  1.00  0.00           C  
HETATM    5  N   UNL     1       1.442  -1.543   0.013  1.00  0.00           N  
HETATM    6  C   UNL     1       1.392  -0.082  -0.125  1.00  0.00           C  
HETATM    7  S   UNL     1       4.726   1.187   0.667  1.00  0.00           S  
HETATM    8  C   UNL     1       6.018   0.010   0.870  1.00  0.00           C  
HETATM    9  C   UNL     1       0.047   0.328  -0.728  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.002   1.750  -0.863  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.086  -0.136   0.190  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.379   0.150  -0.445  1.00  0.00           N  
HETATM   13  CA  UNL     1      -3.493  -0.283   0.410  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.741   0.536   0.075  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.500   2.003   0.437  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.749   2.822   0.102  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.772  -1.744   0.169  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.111  -2.362  -0.632  1.00  0.00           O  
HETATM   19  OXT UNL     1      -4.754  -2.360   0.845  1.00  0.00           O  
HETATM   20  H   UNL     1       2.435   1.455  -1.217  1.00  0.00           H  
HETATM   21  H   UNL     1       2.461  -0.147  -1.994  1.00  0.00           H  
HETATM   22  H   UNL     1       4.199  -1.861  -1.148  1.00  0.00           H  
HETATM   23  H   UNL     1       6.398  -1.941   0.133  1.00  0.00           H  
HETATM   24  H   UNL     1       1.338  -1.995  -0.883  1.00  0.00           H  
HETATM   25  H   UNL     1       1.507   0.380   0.855  1.00  0.00           H  
HETATM   26  H   UNL     1       6.902   0.154   1.473  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.068  -0.134  -1.709  1.00  0.00           H  
HETATM   28  H   UNL     1       0.094   2.228  -0.028  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.996  -1.208   0.364  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.023   0.393   1.141  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.460   1.129  -0.676  1.00  0.00           H  
HETATM   32  HA  UNL     1      -3.228  -0.131   1.456  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.954   0.455  -0.991  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.589   0.156   0.645  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.287   2.085   1.503  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.653   2.384  -0.133  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.577   3.868   0.360  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.962   2.741  -0.964  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.596   2.442   0.672  1.00  0.00           H  
HETATM   40  HXT UNL     1      -4.896  -3.298   0.657  1.00  0.00           H  
HETATM   41  H   UNL     1       2.294  -1.834   0.468  1.00  0.00           H  
CONECT    1    6    2   20   21                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   22                                       
CONECT    4    3    8    8   23                                       
CONECT    5    6   24   41                                            
CONECT    6    1    5    9   25                                       
CONECT    7    2    8                                                 
CONECT    8    4    4    7   26                                       
CONECT    9    6   11   10   27                                       
CONECT   10    9   28                                                 
CONECT   11    9   12   29   30                                       
CONECT   12   11   13   31                                            
CONECT   13   12   14   17   32                                       
CONECT   14   13   15   33   34                                       
CONECT   15   14   16   35   36                                       
CONECT   16   15   37   38   39                                       
CONECT   17   13   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   40                                                 
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41    5                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
