COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  I   UNK A   1      -9.045   0.297  -0.661  1.00  0.00           I  
HETATM    2  C   UNK A   1      -7.028   0.391  -0.102  1.00  0.00           C  
HETATM    3  C   UNK A   1      -6.592   1.402   0.736  1.00  0.00           C  
HETATM    4  C   UNK A   1      -5.265   1.469   1.108  1.00  0.00           C  
HETATM    5  C   UNK A   1      -6.139  -0.563  -0.568  1.00  0.00           C  
HETATM    6  C   UNK A   1      -4.810  -0.507  -0.203  1.00  0.00           C  
HETATM    7  C   UNK A   1      -4.363   0.513   0.638  1.00  0.00           C  
HETATM    8  C   UNK A   1      -2.940   0.579   1.033  1.00  0.00           C  
HETATM    9  O   UNK A   1      -2.553   1.466   1.768  1.00  0.00           O  
HETATM   10  N   UNK A   1      -2.070  -0.345   0.577  1.00  0.00           N  
HETATM   11  C   UNK A   1      -0.660  -0.280   0.968  1.00  0.00           C  
HETATM   12  C   UNK A   1       0.103  -1.436   0.319  1.00  0.00           C  
HETATM   13  C   UNK A   1       1.576  -1.368   0.727  1.00  0.00           C  
HETATM   14  C   UNK A   1       2.339  -2.524   0.078  1.00  0.00           C  
HETATM   15  C   UNK A   1       3.812  -2.456   0.486  1.00  0.00           C  
HETATM   16  C   UNK A   1       4.539  -3.661  -0.052  1.00  0.00           C  
HETATM   17  O   UNK A   1       4.157  -4.895   0.315  1.00  0.00           O  
HETATM   18  O   UNK A   1       5.465  -3.517  -0.814  1.00  0.00           O  
HETATM   19  N   UNK A   1       4.415  -1.238  -0.060  1.00  0.00           N  
HETATM   20  C   UNK A   0       5.494  -0.693   0.537  1.00  0.00           C  
HETATM   21  O   UNK A   0       5.966  -1.213   1.529  1.00  0.00           O  
HETATM   22  N   UNK A   1       6.048   0.428   0.034  1.00  0.00           N  
HETATM   23  C   UNK A   1       7.220   1.020   0.683  1.00  0.00           C  
HETATM   24  C   UNK A   1       6.772   1.918   1.806  1.00  0.00           C  
HETATM   25  O   UNK A   1       7.682   2.572   2.547  1.00  0.00           O  
HETATM   26  O   UNK A   1       5.595   2.051   2.041  1.00  0.00           O  
HETATM   27  C   UNK A   1       8.011   1.837  -0.340  1.00  0.00           C  
HETATM   28  C   UNK A   1       8.572   0.905  -1.415  1.00  0.00           C  
HETATM   29  C   UNK A   1       9.351   1.710  -2.423  1.00  0.00           C  
HETATM   30  O   UNK A   1       9.447   2.908  -2.295  1.00  0.00           O  
HETATM   31  O   UNK A   1       9.937   1.097  -3.464  1.00  0.00           O  
HETATM   32  H   UNK A   1      -7.291   2.141   1.099  1.00  0.00           H  
HETATM   33  H   UNK A   1      -4.926   2.258   1.762  1.00  0.00           H  
HETATM   34  H   UNK A   1      -6.487  -1.352  -1.218  1.00  0.00           H  
HETATM   35  H   UNK A   1      -4.118  -1.252  -0.567  1.00  0.00           H  
HETATM   36  H   UNK A   1      -2.379  -1.053  -0.010  1.00  0.00           H  
HETATM   37  H   UNK A   1      -0.235   0.668   0.638  1.00  0.00           H  
HETATM   38  H   UNK A   1      -0.580  -0.356   2.053  1.00  0.00           H  
HETATM   39  H   UNK A   1      -0.322  -2.383   0.649  1.00  0.00           H  
HETATM   40  H   UNK A   1       0.023  -1.360  -0.766  1.00  0.00           H  
HETATM   41  H   UNK A   1       2.001  -0.420   0.397  1.00  0.00           H  
HETATM   42  H   UNK A   1       1.656  -1.444   1.812  1.00  0.00           H  
HETATM   43  H   UNK A   1       1.914  -3.471   0.408  1.00  0.00           H  
HETATM   44  H   UNK A   1       2.259  -2.448  -1.007  1.00  0.00           H  
HETATM   45  H   UNK A   1       3.887  -2.442   1.574  1.00  0.00           H  
HETATM   46  H   UNK A   1       4.654  -5.637  -0.057  1.00  0.00           H  
HETATM   47  H   UNK A   1       4.038  -0.823  -0.852  1.00  0.00           H  
HETATM   48  H   UNK A   1       5.671   0.842  -0.758  1.00  0.00           H  
HETATM   49  H   UNK A   1       7.854   0.227   1.082  1.00  0.00           H  
HETATM   50  H   UNK A   1       7.346   3.137   3.256  1.00  0.00           H  
HETATM   51  H   UNK A   1       7.354   2.573  -0.804  1.00  0.00           H  
HETATM   52  H   UNK A   1       8.833   2.350   0.161  1.00  0.00           H  
HETATM   53  H   UNK A   1       9.229   0.169  -0.952  1.00  0.00           H  
HETATM   54  H   UNK A   1       7.750   0.393  -1.916  1.00  0.00           H  
HETATM   55  H   UNK A   1      10.425   1.656  -4.084  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   32                                       
CONECT    4    3    7    7   33                                       
CONECT    5    2    6    6   34                                       
CONECT    6    5    5    7   35                                       
CONECT    7    4    4    6    8                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   36                                            
CONECT   11   10   12   37   38                                       
CONECT   12   11   13   39   40                                       
CONECT   13   12   14   41   42                                       
CONECT   14   13   15   43   44                                       
CONECT   15   14   19   16   45                                       
CONECT   16   15   18   18   17                                       
CONECT   17   16   46                                                 
CONECT   18   16   16                                                 
CONECT   19   15   20   47                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   48                                            
CONECT   23   22   24   27   49                                       
CONECT   24   23   26   26   25                                       
CONECT   25   24   50                                                 
CONECT   26   24   24                                                 
CONECT   27   23   28   51   52                                       
CONECT   28   27   29   53   54                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   55                                                 
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
