COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1      -4.521   3.593   0.186  1.00  0.00           C  
HETATM    2  N   UNK A   1      -4.380   1.174   0.059  1.00  0.00           N  
HETATM    3  O   UNK A   1      -5.452   3.480  -0.576  1.00  0.00           O  
HETATM    4  C   UNK A   1      -3.782   2.368   0.660  1.00  0.00           C  
HETATM    5  C   UNK A   1      -2.312   2.466   0.245  1.00  0.00           C  
HETATM    6  C   UNK A   1     -10.064  -0.535  -3.728  1.00  0.00           C  
HETATM    7  O   UNK A   1      -7.602  -2.782   2.499  1.00  0.00           O  
HETATM    8  O   UNK A   0      -5.920   1.060   1.656  1.00  0.00           O  
HETATM    9  O   UNK A   1       2.619  -1.566   1.705  1.00  0.00           O  
HETATM   10  O   UNK A   1      -5.522  -2.222   2.005  1.00  0.00           O  
HETATM   11  I   UNK A   1       9.087  -0.230  -0.705  1.00  0.00           I  
HETATM   12  C   UNK A   1       6.649  -1.423   0.649  1.00  0.00           C  
HETATM   13  C   UNK A   1       6.172   0.594  -0.564  1.00  0.00           C  
HETATM   14  C   UNK A   1       5.326  -1.517   1.026  1.00  0.00           C  
HETATM   15  C   UNK A   1       4.847   0.514  -0.188  1.00  0.00           C  
HETATM   16  C   UNK A   1      -0.067   1.384   0.417  1.00  0.00           C  
HETATM   17  C   UNK A   1      -1.536   1.286   0.832  1.00  0.00           C  
HETATM   18  C   UNK A   1       0.709   0.203   1.004  1.00  0.00           C  
HETATM   19  C   UNK A   1      -8.532  -0.929  -1.370  1.00  0.00           C  
HETATM   20  C   UNK A   1      -7.957  -1.910  -0.346  1.00  0.00           C  
HETATM   21  N   UNK A   1       2.116   0.297   0.606  1.00  0.00           N  
HETATM   22  N   UNK A   1      -6.001  -0.506   0.083  1.00  0.00           N  
HETATM   23  S   UNK A   1      -9.472  -1.846  -2.623  1.00  0.00           S  
HETATM   24  C   UNK A   1      -6.702  -2.086   1.786  1.00  0.00           C  
HETATM   25  C   UNK A   0      -5.451   0.593   0.636  1.00  0.00           C  
HETATM   26  C   UNK A   1       2.994  -0.641   1.010  1.00  0.00           C  
HETATM   27  C   UNK A   1       7.073  -0.369  -0.143  1.00  0.00           C  
HETATM   28  C   UNK A   1       4.414  -0.547   0.609  1.00  0.00           C  
HETATM   29  C   UNK A   1      -7.165  -1.137   0.710  1.00  0.00           C  
HETATM   30  O   UNK A   1      -4.141   4.810   0.606  1.00  0.00           O  
HETATM   31  H   UNK A   1      -4.006   0.801  -0.755  1.00  0.00           H  
HETATM   32  H   UNK A   1      -3.849   2.301   1.746  1.00  0.00           H  
HETATM   33  H   UNK A   1      -2.240   2.444  -0.843  1.00  0.00           H  
HETATM   34  H   UNK A   1      -1.891   3.400   0.618  1.00  0.00           H  
HETATM   35  H   UNK A   1     -10.684   0.162  -3.166  1.00  0.00           H  
HETATM   36  H   UNK A   1      -9.211  -0.003  -4.150  1.00  0.00           H  
HETATM   37  H   UNK A   1     -10.651  -0.977  -4.534  1.00  0.00           H  
HETATM   38  H   UNK A   1      -7.258  -3.378   3.178  1.00  0.00           H  
HETATM   39  H   UNK A   1       7.358  -2.171   0.975  1.00  0.00           H  
HETATM   40  H   UNK A   1       6.509   1.414  -1.181  1.00  0.00           H  
HETATM   41  H   UNK A   1       4.997  -2.340   1.643  1.00  0.00           H  
HETATM   42  H   UNK A   1       4.145   1.266  -0.517  1.00  0.00           H  
HETATM   43  H   UNK A   1       0.005   1.362  -0.671  1.00  0.00           H  
HETATM   44  H   UNK A   1       0.354   2.317   0.790  1.00  0.00           H  
HETATM   45  H   UNK A   1      -1.609   1.308   1.919  1.00  0.00           H  
HETATM   46  H   UNK A   1      -1.958   0.352   0.458  1.00  0.00           H  
HETATM   47  H   UNK A   1       0.636   0.225   2.091  1.00  0.00           H  
HETATM   48  H   UNK A   1       0.287  -0.730   0.631  1.00  0.00           H  
HETATM   49  H   UNK A   1      -9.191  -0.222  -0.867  1.00  0.00           H  
HETATM   50  H   UNK A   1      -7.718  -0.388  -1.852  1.00  0.00           H  
HETATM   51  H   UNK A   1      -8.772  -2.451   0.135  1.00  0.00           H  
HETATM   52  H   UNK A   1      -7.298  -2.617  -0.850  1.00  0.00           H  
HETATM   53  H   UNK A   1       2.415   1.035   0.052  1.00  0.00           H  
HETATM   54  H   UNK A   1      -5.627  -0.879  -0.731  1.00  0.00           H  
HETATM   55  H   UNK A   1      -7.800  -0.370   1.152  1.00  0.00           H  
HETATM   56  H   UNK A   1      -4.643   5.566   0.271  1.00  0.00           H  
CONECT    1    4    3    3   30                                       
CONECT    2   25    4   31                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   32                                       
CONECT    5    4   17   33   34                                       
CONECT    6   23   35   36   37                                       
CONECT    7   24   38                                                 
CONECT    8   25   25                                                 
CONECT    9   26   26                                                 
CONECT   10   24   24                                                 
CONECT   11   27                                                      
CONECT   12   14   14   27   39                                       
CONECT   13   15   27   27   40                                       
CONECT   14   12   12   28   41                                       
CONECT   15   13   28   28   42                                       
CONECT   16   18   17   43   44                                       
CONECT   17    5   16   45   46                                       
CONECT   18   16   21   47   48                                       
CONECT   19   23   20   49   50                                       
CONECT   20   19   29   51   52                                       
CONECT   21   18   26   53                                            
CONECT   22   29   25   54                                            
CONECT   23    6   19                                                 
CONECT   24    7   10   10   29                                       
CONECT   25    2    8    8   22                                       
CONECT   26    9    9   21   28                                       
CONECT   27   11   12   13   13                                       
CONECT   28   14   15   15   26                                       
CONECT   29   20   22   24   55                                       
CONECT   30    1   56                                                 
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
