COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.492  -0.771   0.416  1.00  0.00           N  
HETATM    2  N   UNL     1       3.637  -2.833  -1.216  1.00  0.00           N  
HETATM    3  C   UNL     1       3.370   0.384   0.192  1.00  0.00           C  
HETATM    4  C   UNL     1       2.837  -0.862  -0.197  1.00  0.00           C  
HETATM    5  C   UNL     1       1.560  -1.453  -0.131  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.828  -1.403   0.475  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.893  -0.338   0.521  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.681   1.773   1.328  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.067  -0.498  -0.192  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.787   2.813  -0.267  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.842  -1.383   2.973  1.00  0.00           C  
HETATM   12  C   UNL     1       3.892  -1.606  -0.766  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.133   0.564  -2.434  1.00  0.00           O  
HETATM   14  S   UNL     1      -5.518   0.255  -1.101  1.00  0.00           S  
HETATM   15  O   UNL     1      -5.978  -1.043  -0.749  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.628   1.536  -0.437  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.799   2.592   0.725  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.869   1.618   0.613  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.704   0.802   1.280  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.045   0.477  -0.151  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.921  -2.272   1.730  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.251  -3.029   1.729  1.00  0.00           C  
HETATM   23  N   UNL     1       1.409  -2.685  -0.608  1.00  0.00           N  
HETATM   24  C   UNL     1       2.427  -3.343  -1.132  1.00  0.00           C  
HETATM   25  N   UNL     1       5.013  -0.828  -0.716  1.00  0.00           N  
HETATM   26  C   UNL     1       4.692   0.385  -0.131  1.00  0.00           C  
HETATM   27  C   UNL     1       5.627   1.493   0.102  1.00  0.00           C  
HETATM   28  O   UNL     1       5.235   2.520   0.626  1.00  0.00           O  
HETATM   29  N   UNL     1       6.918   1.374  -0.264  1.00  0.00           N  
HETATM   30  C   UNL     1       7.850   2.480  -0.031  1.00  0.00           C  
HETATM   31  C   UNL     1       9.241   2.089  -0.535  1.00  0.00           C  
HETATM   32  H   UNL     1       0.617   0.126   0.764  1.00  0.00           H  
HETATM   33  H   UNL     1       2.828   1.191   0.663  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.973  -2.024  -0.409  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.524   2.662   1.920  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.219  -1.389  -0.783  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.301   3.057  -1.212  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.432   3.638   0.035  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.666  -0.670   2.963  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.909  -2.003   3.868  1.00  0.00           H  
HETATM   41  H   UNL     1       0.105  -0.844   2.974  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.025   1.221   0.529  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.446   1.719  -1.134  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.788   0.931   1.838  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.097  -2.986   1.740  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.075  -2.316   1.719  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.307  -3.663   0.843  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.318  -3.649   2.623  1.00  0.00           H  
HETATM   49  H   UNL     1       2.259  -4.341  -1.508  1.00  0.00           H  
HETATM   50  H   UNL     1       5.892  -1.084  -1.038  1.00  0.00           H  
HETATM   51  H   UNL     1       7.230   0.556  -0.682  1.00  0.00           H  
HETATM   52  H   UNL     1       7.506   3.365  -0.567  1.00  0.00           H  
HETATM   53  H   UNL     1       7.898   2.697   1.036  1.00  0.00           H  
HETATM   54  H   UNL     1       9.193   1.873  -1.602  1.00  0.00           H  
HETATM   55  H   UNL     1       9.935   2.912  -0.362  1.00  0.00           H  
HETATM   56  H   UNL     1       9.586   1.204   0.000  1.00  0.00           H  
CONECT    1    5    6   32                                            
CONECT    2   24   12   12                                            
CONECT    3   26   26    4   33                                       
CONECT    4    3    5    5   12                                       
CONECT    5    4    4    1   23                                       
CONECT    6    1    7   21   34                                       
CONECT    7    6   19   19    9                                       
CONECT    8   19   18   18   35                                       
CONECT    9   20   20    7   36                                       
CONECT   10   16   17   37   38                                       
CONECT   11   21   39   40   41                                       
CONECT   12    2    2    4   25                                       
CONECT   13   14   14                                                 
CONECT   14   20   15   15   13                                       
CONECT   14   13   16                                                 
CONECT   15   14   14                                                 
CONECT   16   14   10   42   43                                       
CONECT   17   10   18                                                 
CONECT   18    8    8   20   17                                       
CONECT   19    7    7    8   44                                       
CONECT   20   18    9    9   14                                       
CONECT   21    6   11   22   45                                       
CONECT   22   21   46   47   48                                       
CONECT   23    5   24   24                                            
CONECT   24   23   23    2   49                                       
CONECT   25   12   26   50                                            
CONECT   26   27    3    3   25                                       
CONECT   27   29   28   28   26                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   51                                            
CONECT   30   31   29   52   53                                       
CONECT   31   30   54   55   56                                       
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
