COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.875   1.640  -0.343  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.282   0.319  -0.416  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.348  -0.703  -0.166  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.479  -2.078  -0.171  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.212  -2.616   0.152  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.343  -1.538   0.343  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.622   0.929   0.225  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.476   1.933  -0.005  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.826   2.731  -0.605  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.884  -3.991   0.260  1.00  0.00           C  
HETATM   11  CA  UNL     1       0.656  -0.324   0.548  1.00  0.00           C  
HETATM   12  C   UNL     1       0.502   0.444   1.836  1.00  0.00           C  
HETATM   13  C   UNL     1       2.142  -0.534   0.254  1.00  0.00           C  
HETATM   14  C   UNL     1       2.754  -1.428   1.334  1.00  0.00           C  
HETATM   15  C   UNL     1       2.857   0.819   0.247  1.00  0.00           C  
HETATM   16  C   UNL     1       5.044   1.719  -0.074  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.033  -0.389   0.150  1.00  0.00           N  
HETATM   18  N   UNL     1      -4.417   4.014  -0.530  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.008  -1.629   0.674  1.00  0.00           N  
HETATM   20  N   UNL     1       6.362   1.604  -0.328  1.00  0.00           N  
HETATM   21  O   UNL     1      -2.735  -4.835   0.068  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.981   2.477  -0.889  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.099  -0.046   2.763  1.00  0.00           O  
HETATM   24  OXT UNL     1       1.032   1.671   1.953  1.00  0.00           O  
HETATM   25  O   UNL     1       3.699  -1.293  -1.753  1.00  0.00           O  
HETATM   26  O   UNL     1       1.684  -0.328  -2.314  1.00  0.00           O  
HETATM   27  O   UNL     1       4.268   0.620  -0.032  1.00  0.00           O  
HETATM   28  O   UNL     1       4.555   2.815   0.118  1.00  0.00           O  
HETATM   29  S   UNL     1       2.332  -1.327  -1.366  1.00  0.00           S  
HETATM   30  H   UNL     1      -5.305   0.075  -0.663  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.379  -2.637  -0.380  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.595   1.151   0.473  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.137   2.957   0.057  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.877  -4.287   0.514  1.00  0.00           H  
HETATM   35  HA  UNL     1       0.200   0.238  -0.267  1.00  0.00           H  
HETATM   36  H   UNL     1       2.245  -2.392   1.340  1.00  0.00           H  
HETATM   37  H   UNL     1       3.814  -1.578   1.125  1.00  0.00           H  
HETATM   38  H   UNL     1       2.640  -0.952   2.308  1.00  0.00           H  
HETATM   39  H   UNL     1       2.421   1.456  -0.522  1.00  0.00           H  
HETATM   40  H   UNL     1       2.743   1.295   1.221  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.496   4.217  -0.304  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.044   4.733  -0.703  1.00  0.00           H  
HETATM   43  H   UNL     1       0.110  -2.006   1.602  1.00  0.00           H  
HETATM   44  H   UNL     1       6.752   0.729  -0.481  1.00  0.00           H  
HETATM   45  H   UNL     1       6.921   2.396  -0.358  1.00  0.00           H  
HETATM   46  HXT UNL     1       0.907   2.125   2.798  1.00  0.00           H  
HETATM   47  H   UNL     1       1.698  -0.600  -3.242  1.00  0.00           H  
CONECT    1    2    2    8    9                                       
CONECT    2    1    1    3   30                                       
CONECT    3    2    4    4   17                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5   17   19                                       
CONECT    7    8    8   17   32                                       
CONECT    8    1    7    7   33                                       
CONECT    9    1   18   22   22                                       
CONECT   10    5   21   21   34                                       
CONECT   11   12   13   19   35                                       
CONECT   12   11   23   23   24                                       
CONECT   13   11   14   15   29                                       
CONECT   14   13   36   37   38                                       
CONECT   15   13   27   39   40                                       
CONECT   16   20   27   28   28                                       
CONECT   17    3    6    7                                            
CONECT   18    9   41   42                                            
CONECT   19    6   11   43                                            
CONECT   20   16   44   45                                            
CONECT   21   10   10                                                 
CONECT   22    9    9                                                 
CONECT   23   12   12                                                 
CONECT   24   12   46                                                 
CONECT   25   29   29                                                 
CONECT   26   29   47                                                 
CONECT   27   15   16                                                 
CONECT   28   16   16                                                 
CONECT   29   13   25   25   26                                       
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
