COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.798   0.603  -1.905  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.430   0.498   0.579  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.327  -0.712  -1.281  1.00  0.00           C  
HETATM    4  CA  UNL     1      -5.728  -0.781   0.205  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.362  -0.314   0.540  1.00  0.00           C  
HETATM    6  CA  UNL     1      -2.091  -0.886   1.172  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.098  -2.387   1.043  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.899  -1.906  -2.049  1.00  0.00           C  
HETATM    9  OXT UNL     1      -7.724   0.671   0.264  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.829   1.369   1.162  1.00  0.00           O  
HETATM   11  N   UNL     1      -4.579  -0.969   1.096  1.00  0.00           N  
HETATM   12  S   UNL     1      -3.492  -0.789  -1.239  1.00  0.00           S  
HETATM   13  O   UNL     1      -1.213  -2.945   0.440  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.917  -0.342   0.485  1.00  0.00           N  
HETATM   15  C   UNL     1       0.267  -0.273   1.125  1.00  0.00           C  
HETATM   16  O   UNL     1       0.360  -0.661   2.270  1.00  0.00           O  
HETATM   17  C   UNL     1       1.474   0.287   0.418  1.00  0.00           C  
HETATM   18  C   UNL     1       1.200   1.710   0.005  1.00  0.00           C  
HETATM   19  C   UNL     1       0.838   1.994  -1.298  1.00  0.00           C  
HETATM   20  C   UNL     1       0.586   3.299  -1.677  1.00  0.00           C  
HETATM   21  C   UNL     1       0.697   4.321  -0.752  1.00  0.00           C  
HETATM   22  C   UNL     1       1.060   4.037   0.551  1.00  0.00           C  
HETATM   23  C   UNL     1       1.306   2.731   0.931  1.00  0.00           C  
HETATM   24  N   UNL     1       2.631   0.254   1.324  1.00  0.00           N  
HETATM   25  N   UNL     1       3.795   0.103   0.626  1.00  0.00           N  
HETATM   26  C   UNL     1       4.115  -1.098   0.099  1.00  0.00           C  
HETATM   27  O   UNL     1       3.368  -2.046   0.220  1.00  0.00           O  
HETATM   28  C   UNL     1       4.692   1.244   0.443  1.00  0.00           C  
HETATM   29  C   UNL     1       6.149   0.790   0.495  1.00  0.00           C  
HETATM   30  N   UNL     1       6.375  -0.311  -0.441  1.00  0.00           N  
HETATM   31  C   UNL     1       5.412  -1.238  -0.639  1.00  0.00           C  
HETATM   32  O   UNL     1       5.593  -2.166  -1.401  1.00  0.00           O  
HETATM   33  C   UNL     1       7.644  -0.407  -1.167  1.00  0.00           C  
HETATM   34  C   UNL     1       8.638  -1.235  -0.351  1.00  0.00           C  
HETATM   35  H   UNL     1      -6.885   0.656  -1.863  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.371   1.440  -1.353  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.471   0.649  -2.944  1.00  0.00           H  
HETATM   38  HA  UNL     1      -6.418  -1.614   0.345  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.406   0.768   0.663  1.00  0.00           H  
HETATM   40  HA  UNL     1      -2.054  -0.612   2.226  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.894  -2.964   1.491  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.572  -1.859  -3.088  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.543  -2.832  -1.598  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.988  -1.877  -2.009  1.00  0.00           H  
HETATM   45  HXT UNL     1      -8.131   1.508   0.525  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.782  -0.627   2.024  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.992  -0.032  -0.431  1.00  0.00           H  
HETATM   48  H   UNL     1       1.688  -0.313  -0.466  1.00  0.00           H  
HETATM   49  H   UNL     1       0.751   1.196  -2.021  1.00  0.00           H  
HETATM   50  H   UNL     1       0.303   3.521  -2.695  1.00  0.00           H  
HETATM   51  H   UNL     1       0.501   5.341  -1.048  1.00  0.00           H  
HETATM   52  H   UNL     1       1.147   4.835   1.273  1.00  0.00           H  
HETATM   53  H   UNL     1       1.584   2.509   1.951  1.00  0.00           H  
HETATM   54  H   UNL     1       2.661   1.080   1.902  1.00  0.00           H  
HETATM   55  H   UNL     1       4.494   1.707  -0.523  1.00  0.00           H  
HETATM   56  H   UNL     1       4.516   1.971   1.235  1.00  0.00           H  
HETATM   57  H   UNL     1       6.796   1.626   0.231  1.00  0.00           H  
HETATM   58  H   UNL     1       6.386   0.456   1.505  1.00  0.00           H  
HETATM   59  H   UNL     1       7.475  -0.887  -2.131  1.00  0.00           H  
HETATM   60  H   UNL     1       8.048   0.593  -1.326  1.00  0.00           H  
HETATM   61  H   UNL     1       8.807  -0.754   0.612  1.00  0.00           H  
HETATM   62  H   UNL     1       8.234  -2.235  -0.193  1.00  0.00           H  
HETATM   63  H   UNL     1       9.582  -1.306  -0.892  1.00  0.00           H  
CONECT    1    3   35   36   37                                       
CONECT    2   10   10    4    9                                       
CONECT    3    1    4   12    8                                       
CONECT    4    2    3   11   38                                       
CONECT    5    6   11   12   39                                       
CONECT    6    5    7   14   40                                       
CONECT    7    6   13   13   41                                       
CONECT    8    3   42   43   44                                       
CONECT    9    2   45                                                 
CONECT   10    2    2                                                 
CONECT   11    4    5   46                                            
CONECT   12    3    5                                                 
CONECT   13    7    7                                                 
CONECT   14    6   15   47                                            
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   24   18   48                                       
CONECT   18   17   23   23   19                                       
CONECT   19   18   20   20   49                                       
CONECT   20   19   19   21   50                                       
CONECT   21   20   22   22   51                                       
CONECT   22   21   21   23   52                                       
CONECT   23   18   18   22   53                                       
CONECT   24   17   25   54                                            
CONECT   25   24   26   28                                            
CONECT   26   25   27   27   31                                       
CONECT   27   26   26                                                 
CONECT   28   25   29   55   56                                       
CONECT   29   28   30   57   58                                       
CONECT   30   29   31   33                                            
CONECT   31   26   30   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   30   34   59   60                                       
CONECT   34   33   61   62   63                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
