COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNK A   1      -9.517  -1.296  -3.241  1.00  0.00           C  
HETATM    2  O   UNK A   1     -10.204  -0.765  -2.107  1.00  0.00           O  
HETATM    3  C   UNK A   1      -8.783  -0.867  -1.969  1.00  0.00           C  
HETATM    4  C   UNK A   1      -8.232  -1.966  -1.059  1.00  0.00           C  
HETATM    5  C   UNK A   1      -7.489  -1.329   0.117  1.00  0.00           C  
HETATM    6  C   UNK A   1      -7.052  -2.405   1.078  1.00  0.00           C  
HETATM    7  O   UNK A   1      -7.967  -3.195   1.662  1.00  0.00           O  
HETATM    8  O   UNK A   1      -5.879  -2.556   1.322  1.00  0.00           O  
HETATM    9  N   UNK A   1      -6.313  -0.611  -0.380  1.00  0.00           N  
HETATM   10  C   UNK A   0      -5.798   0.412   0.331  1.00  0.00           C  
HETATM   11  O   UNK A   0      -6.310   0.739   1.384  1.00  0.00           O  
HETATM   12  N   UNK A   1      -4.716   1.073  -0.126  1.00  0.00           N  
HETATM   13  C   UNK A   1      -4.156   2.185   0.646  1.00  0.00           C  
HETATM   14  C   UNK A   1      -4.895   3.454   0.306  1.00  0.00           C  
HETATM   15  O   UNK A   1      -4.551   4.609   0.897  1.00  0.00           O  
HETATM   16  O   UNK A   1      -5.796   3.431  -0.499  1.00  0.00           O  
HETATM   17  C   UNK A   1      -2.674   2.350   0.302  1.00  0.00           C  
HETATM   18  C   UNK A   1      -1.903   1.110   0.761  1.00  0.00           C  
HETATM   19  C   UNK A   1      -0.422   1.275   0.417  1.00  0.00           C  
HETATM   20  C   UNK A   1       0.349   0.036   0.876  1.00  0.00           C  
HETATM   21  N   UNK A   1       1.768   0.194   0.548  1.00  0.00           N  
HETATM   22  C   UNK A   1       2.645  -0.781   0.860  1.00  0.00           C  
HETATM   23  O   UNK A   1       2.258  -1.791   1.415  1.00  0.00           O  
HETATM   24  C   UNK A   1       4.076  -0.622   0.528  1.00  0.00           C  
HETATM   25  C   UNK A   1       4.524   0.540  -0.104  1.00  0.00           C  
HETATM   26  C   UNK A   1       5.861   0.683  -0.410  1.00  0.00           C  
HETATM   27  C   UNK A   1       6.759  -0.323  -0.093  1.00  0.00           C  
HETATM   28  I   UNK A   1       8.788  -0.097  -0.563  1.00  0.00           I  
HETATM   29  C   UNK A   1       6.321  -1.477   0.534  1.00  0.00           C  
HETATM   30  C   UNK A   1       4.987  -1.629   0.851  1.00  0.00           C  
HETATM   31  H   UNK A   1      -9.611  -2.365  -3.438  1.00  0.00           H  
HETATM   32  H   UNK A   1      -9.422  -0.660  -4.122  1.00  0.00           H  
HETATM   33  H   UNK A   1      -8.202   0.054  -2.004  1.00  0.00           H  
HETATM   34  H   UNK A   1      -9.055  -2.573  -0.682  1.00  0.00           H  
HETATM   35  H   UNK A   1      -7.545  -2.596  -1.624  1.00  0.00           H  
HETATM   36  H   UNK A   1      -8.151  -0.631   0.630  1.00  0.00           H  
HETATM   37  H   UNK A   1      -7.639  -3.871   2.271  1.00  0.00           H  
HETATM   38  H   UNK A   1      -5.904  -0.872  -1.220  1.00  0.00           H  
HETATM   39  H   UNK A   1      -4.307   0.812  -0.967  1.00  0.00           H  
HETATM   40  H   UNK A   1      -4.261   1.977   1.711  1.00  0.00           H  
HETATM   41  H   UNK A   1      -5.054   5.397   0.647  1.00  0.00           H  
HETATM   42  H   UNK A   1      -2.562   2.469  -0.776  1.00  0.00           H  
HETATM   43  H   UNK A   1      -2.280   3.231   0.808  1.00  0.00           H  
HETATM   44  H   UNK A   1      -2.016   0.991   1.839  1.00  0.00           H  
HETATM   45  H   UNK A   1      -2.298   0.229   0.255  1.00  0.00           H  
HETATM   46  H   UNK A   1      -0.310   1.395  -0.660  1.00  0.00           H  
HETATM   47  H   UNK A   1      -0.027   2.157   0.923  1.00  0.00           H  
HETATM   48  H   UNK A   1       0.237  -0.083   1.954  1.00  0.00           H  
HETATM   49  H   UNK A   1      -0.045  -0.845   0.370  1.00  0.00           H  
HETATM   50  H   UNK A   1       2.076   1.000   0.105  1.00  0.00           H  
HETATM   51  H   UNK A   1       3.825   1.324  -0.352  1.00  0.00           H  
HETATM   52  H   UNK A   1       6.209   1.581  -0.900  1.00  0.00           H  
HETATM   53  H   UNK A   1       7.025  -2.258   0.779  1.00  0.00           H  
HETATM   54  H   UNK A   1       4.647  -2.528   1.344  1.00  0.00           H  
CONECT    1    2    3   31   32                                       
CONECT    2    3    1                                                 
CONECT    3    2    1    4   33                                       
CONECT    4    3    5   34   35                                       
CONECT    5    6    4    9   36                                       
CONECT    6    8    8    7    5                                       
CONECT    7    6   37                                                 
CONECT    8    6    6                                                 
CONECT    9    5   10   38                                            
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   39                                            
CONECT   13   17   12   14   40                                       
CONECT   14   13   16   16   15                                       
CONECT   15   14   41                                                 
CONECT   16   14   14                                                 
CONECT   17   18   13   42   43                                       
CONECT   18   19   17   44   45                                       
CONECT   19   20   18   46   47                                       
CONECT   20   19   21   48   49                                       
CONECT   21   20   22   50                                            
CONECT   22   23   23   21   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   30   30   25                                       
CONECT   25   24   26   26   51                                       
CONECT   26   25   25   27   52                                       
CONECT   27   29   29   26   28                                       
CONECT   28   27                                                      
CONECT   29   30   27   27   53                                       
CONECT   30   24   24   29   54                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
