COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.023   0.219   3.361  1.00  0.00           C  
HETATM    2  C   UNL     1       0.651  -1.640  -1.108  1.00  0.00           C  
HETATM    3  C   UNL     1       1.389  -0.903  -0.003  1.00  0.00           C  
HETATM    4  C   UNL     1       3.618  -1.627  -0.252  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.333  -0.278  -5.217  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.291   0.522  -5.646  1.00  0.00           C  
HETATM    7  C   UNL     1       0.715   0.886  -4.763  1.00  0.00           C  
HETATM    8  C   UNL     1       0.673   0.451  -3.448  1.00  0.00           C  
HETATM    9  C   UNL     1       1.499   1.956  -6.567  1.00  0.00           C  
HETATM   10  N   UNL     1       0.742   2.177   5.161  1.00  0.00           N  
HETATM   11  S   UNL     1       0.314   0.580   5.061  1.00  0.00           S  
HETATM   12  O   UNL     1      -0.950   0.478   5.700  1.00  0.00           O  
HETATM   13  O   UNL     1       1.478  -0.154   5.418  1.00  0.00           O  
HETATM   14  S   UNL     1      -1.498   0.336   2.430  1.00  0.00           S  
HETATM   15  C   UNL     1      -0.859  -0.208   0.879  1.00  0.00           C  
HETATM   16  C   UNL     1       0.460  -0.446   1.111  1.00  0.00           C  
HETATM   17  C   UNL     1       0.892  -0.219   2.422  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.411  -0.803  -1.697  1.00  0.00           N  
HETATM   19  S   UNL     1      -1.675  -0.427  -0.659  1.00  0.00           S  
HETATM   20  O   UNL     1      -2.148   0.854  -1.049  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.460  -1.605  -0.537  1.00  0.00           O  
HETATM   22  N   UNL     1       2.409  -1.795   0.564  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.369  -0.357  -3.020  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.375  -0.719  -3.908  1.00  0.00           C  
HETATM   25  O   UNL     1       1.739   1.673  -5.187  1.00  0.00           O  
HETATM   26  H   UNL     1       1.360  -1.917  -1.888  1.00  0.00           H  
HETATM   27  H   UNL     1       0.204  -2.545  -0.696  1.00  0.00           H  
HETATM   28  H   UNL     1       1.883  -0.030  -0.430  1.00  0.00           H  
HETATM   29  H   UNL     1       4.428  -2.220   0.171  1.00  0.00           H  
HETATM   30  H   UNL     1       3.418  -1.960  -1.270  1.00  0.00           H  
HETATM   31  H   UNL     1       3.906  -0.575  -0.264  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.115  -0.560  -5.906  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.260   0.864  -6.670  1.00  0.00           H  
HETATM   34  H   UNL     1       1.456   0.734  -2.759  1.00  0.00           H  
HETATM   35  H   UNL     1       2.298   2.588  -6.953  1.00  0.00           H  
HETATM   36  H   UNL     1       1.470   1.022  -7.129  1.00  0.00           H  
HETATM   37  H   UNL     1       0.544   2.472  -6.671  1.00  0.00           H  
HETATM   38  H   UNL     1       0.945   2.571   6.024  1.00  0.00           H  
HETATM   39  H   UNL     1       0.789   2.717   4.358  1.00  0.00           H  
HETATM   40  H   UNL     1       1.924  -0.395   2.686  1.00  0.00           H  
HETATM   41  H   UNL     1       2.085  -2.738   0.412  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.190  -1.344  -3.576  1.00  0.00           H  
CONECT    1   11   14   17   17                                       
CONECT    2    3   18   26   27                                       
CONECT    3    2   16   22   28                                       
CONECT    4   22   29   30   31                                       
CONECT    5    6    6   24   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8    8   25                                       
CONECT    8    7    7   23   34                                       
CONECT    9   25   35   36   37                                       
CONECT   10   11   38   39                                            
CONECT   11    1   10   12   12                                       
CONECT   11   13   13                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14    1   15                                                 
CONECT   15   14   16   16   19                                       
CONECT   16    3   15   15   17                                       
CONECT   17    1    1   16   40                                       
CONECT   18    2   19   23                                            
CONECT   19   15   18   20   20                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22    3    4   41                                            
CONECT   23    8   18   24   24                                       
CONECT   24    5   23   23   42                                       
CONECT   25    7    9                                                 
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   17                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
