COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.888   0.550   0.027  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.215   0.759   0.339  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.137  -0.260   0.174  1.00  0.00           C  
HETATM    4  I   UNL     1      -9.151   0.067   0.650  1.00  0.00           I  
HETATM    5  C   UNL     1      -6.734  -1.495  -0.305  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.410  -1.717  -0.619  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.476  -0.692  -0.461  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.056  -0.923  -0.797  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.698  -2.008  -1.212  1.00  0.00           O  
HETATM   10  NZ  UNL     1      -2.157   0.070  -0.642  1.00  0.00           N  
HETATM   11  CE  UNL     1      -0.748  -0.159  -0.975  1.00  0.00           C  
HETATM   12  CD  UNL     1       0.052   1.117  -0.711  1.00  0.00           C  
HETATM   13  CG  UNL     1       1.523   0.878  -1.059  1.00  0.00           C  
HETATM   14  CB  UNL     1       2.323   2.155  -0.795  1.00  0.00           C  
HETATM   15  CA  UNL     1       3.794   1.916  -1.143  1.00  0.00           C  
HETATM   16  C   UNL     1       4.560   3.206  -1.000  1.00  0.00           C  
HETATM   17  OXT UNL     1       4.221   4.273  -1.741  1.00  0.00           O  
HETATM   18  O   UNL     1       5.479   3.280  -0.220  1.00  0.00           O  
HETATM   19  N   UNL     1       4.354   0.913  -0.234  1.00  0.00           N  
HETATM   20  C   UNL     1       5.415   0.174  -0.616  1.00  0.00           C  
HETATM   21  O   UNL     1       5.907   0.341  -1.715  1.00  0.00           O  
HETATM   22  N   UNL     1       5.930  -0.749   0.221  1.00  0.00           N  
HETATM   23  CA  UNL     1       7.083  -1.551  -0.194  1.00  0.00           C  
HETATM   24  C   UNL     1       6.607  -2.743  -0.985  1.00  0.00           C  
HETATM   25  O   UNL     1       5.426  -2.905  -1.181  1.00  0.00           O  
HETATM   26  OXT UNL     1       7.496  -3.624  -1.471  1.00  0.00           O  
HETATM   27  C   UNL     1       7.843  -2.031   1.044  1.00  0.00           C  
HETATM   28  C   UNL     1       8.423  -0.844   1.768  1.00  0.00           C  
HETATM   29  C   UNL     1       7.814  -0.139   2.739  1.00  0.00           C  
HETATM   30  C   UNL     1       8.713   0.879   3.132  1.00  0.00           C  
HETATM   31  C   UNL     1       9.818   0.736   2.378  1.00  0.00           C  
HETATM   32  O   UNL     1       9.639  -0.313   1.558  1.00  0.00           O  
HETATM   33  H   UNL     1      -4.170   1.346   0.156  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.536   1.720   0.712  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.458  -2.286  -0.432  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.097  -2.681  -0.992  1.00  0.00           H  
HETATM   37  HZ  UNL     1      -2.442   0.936  -0.311  1.00  0.00           H  
HETATM   38  HE1 UNL     1      -0.356  -0.968  -0.359  1.00  0.00           H  
HETATM   39  HE2 UNL     1      -0.663  -0.431  -2.028  1.00  0.00           H  
HETATM   40  HD1 UNL     1      -0.340   1.926  -1.328  1.00  0.00           H  
HETATM   41  HD2 UNL     1      -0.033   1.389   0.341  1.00  0.00           H  
HETATM   42  HG1 UNL     1       1.915   0.069  -0.442  1.00  0.00           H  
HETATM   43  HG2 UNL     1       1.608   0.607  -2.111  1.00  0.00           H  
HETATM   44  HB1 UNL     1       1.931   2.964  -1.412  1.00  0.00           H  
HETATM   45  HB2 UNL     1       2.238   2.426   0.257  1.00  0.00           H  
HETATM   46  HA  UNL     1       3.871   1.559  -2.170  1.00  0.00           H  
HETATM   47  HXT UNL     1       4.742   5.078  -1.615  1.00  0.00           H  
HETATM   48  H   UNL     1       3.961   0.780   0.643  1.00  0.00           H  
HETATM   49  H   UNL     1       5.537  -0.882   1.098  1.00  0.00           H  
HETATM   50  HA  UNL     1       7.744  -0.945  -0.814  1.00  0.00           H  
HETATM   51  HXT UNL     1       7.143  -4.372  -1.971  1.00  0.00           H  
HETATM   52  H   UNL     1       7.159  -2.562   1.706  1.00  0.00           H  
HETATM   53  H   UNL     1       8.648  -2.700   0.740  1.00  0.00           H  
HETATM   54  H   UNL     1       6.827  -0.317   3.140  1.00  0.00           H  
HETATM   55  H   UNL     1       8.545   1.628   3.892  1.00  0.00           H  
HETATM   56  H   UNL     1      10.701   1.354   2.429  1.00  0.00           H  
CONECT    1    7    2    2   33                                       
CONECT    2    1    1    3   34                                       
CONECT    3    5    5    2    4                                       
CONECT    4    3                                                      
CONECT    5    6    3    3   35                                       
CONECT    6    7    7    5   36                                       
CONECT    7    8    6    6    1                                       
CONECT    8   10    9    9    7                                       
CONECT    9    8    8                                                 
CONECT   10   11    8   37                                            
CONECT   11   12   10   38   39                                       
CONECT   12   13   11   40   41                                       
CONECT   13   12   14   42   43                                       
CONECT   14   13   15   44   45                                       
CONECT   15   14   19   16   46                                       
CONECT   16   15   18   18   17                                       
CONECT   17   16   47                                                 
CONECT   18   16   16                                                 
CONECT   19   20   15   48                                            
CONECT   20   21   21   22   19                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   49                                            
CONECT   23   24   27   22   50                                       
CONECT   24   25   25   26   23                                       
CONECT   25   24   24                                                 
CONECT   26   24   51                                                 
CONECT   27   28   23   52   53                                       
CONECT   28   32   29   29   27                                       
CONECT   29   30   28   28   54                                       
CONECT   30   31   31   29   55                                       
CONECT   31   32   30   30   56                                       
CONECT   32   31   28                                                 
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
