COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  I   UNL     1       8.186   0.179  -0.599  1.00  0.00           I  
HETATM    2  C   UNL     1      -2.124  -0.508  -0.974  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.253  -0.597   0.548  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.076  -1.813   0.925  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.404  -1.713   0.157  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.142  -0.414   0.466  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.403  -0.326  -0.378  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.072  -0.827  -1.785  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.483  -1.245   0.198  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.752  -1.133  -0.650  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.293   0.296  -0.579  1.00  0.00           C  
HETATM   12  O   UNL     1     -10.524   0.376  -1.300  1.00  0.00           O  
HETATM   13  C   UNL     1      -8.275   1.258  -1.199  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.943   1.069  -0.493  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.341   2.121  -0.022  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.028   2.056   0.702  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.255   0.818   0.237  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.000   0.653   1.089  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.925   1.733   0.933  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.649   1.022   1.387  1.00  0.00           C  
HETATM   21  O   UNL     1       0.350   1.546   1.819  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.877  -0.474   1.193  1.00  0.00           C  
HETATM   23  C   UNL     1       0.195  -1.056   0.269  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.018  -2.565   0.129  1.00  0.00           C  
HETATM   25  C   UNL     1       1.559  -0.794   0.854  1.00  0.00           C  
HETATM   26  O   UNL     1       1.698  -0.721   2.052  1.00  0.00           O  
HETATM   27  C   UNL     1       2.748  -0.623  -0.055  1.00  0.00           C  
HETATM   28  C   UNL     1       4.001  -0.370   0.786  1.00  0.00           C  
HETATM   29  C   UNL     1       5.209  -0.196  -0.137  1.00  0.00           C  
HETATM   30  C   UNL     1       5.027   1.066  -0.982  1.00  0.00           C  
HETATM   31  C   UNL     1       6.480  -0.067   0.705  1.00  0.00           C  
HETATM   32  H   UNL     1      -1.577  -1.376  -1.343  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.117  -0.487  -1.423  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.585   0.401  -1.241  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.549  -2.723   0.639  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.266  -1.816   1.998  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.200  -1.760  -0.913  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.038  -2.556   0.433  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.442  -0.431   1.513  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.729  -1.860  -1.732  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.964  -0.772  -2.409  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.288  -0.205  -2.217  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.128  -2.276   0.186  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.704  -0.949   1.224  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.519  -1.381  -1.685  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.504  -1.824  -0.271  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.463   0.569   0.462  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.925   1.256  -1.298  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.162   1.039  -2.261  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.616   2.286  -1.071  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.806   3.086  -0.159  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.447   2.952   0.483  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.207   1.992   1.776  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.984   0.898  -0.816  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.266   0.515   2.136  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.841   2.046  -0.108  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.142   2.588   1.574  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.864  -0.985   2.155  1.00  0.00           H  
HETATM   59  H   UNL     1       0.124  -0.586  -0.711  1.00  0.00           H  
HETATM   60  H   UNL     1       0.009  -3.029   1.115  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.986  -2.753  -0.335  1.00  0.00           H  
HETATM   62  H   UNL     1       0.771  -2.987  -0.493  1.00  0.00           H  
HETATM   63  H   UNL     1       2.886  -1.527  -0.648  1.00  0.00           H  
HETATM   64  H   UNL     1       2.579   0.225  -0.719  1.00  0.00           H  
HETATM   65  H   UNL     1       3.864   0.535   1.380  1.00  0.00           H  
HETATM   66  H   UNL     1       4.170  -1.217   1.450  1.00  0.00           H  
HETATM   67  H   UNL     1       5.293  -1.063  -0.792  1.00  0.00           H  
HETATM   68  H   UNL     1       4.122   0.975  -1.582  1.00  0.00           H  
HETATM   69  H   UNL     1       4.943   1.934  -0.327  1.00  0.00           H  
HETATM   70  H   UNL     1       5.887   1.191  -1.639  1.00  0.00           H  
HETATM   71  H   UNL     1       6.609  -0.966   1.308  1.00  0.00           H  
HETATM   72  H   UNL     1       6.395   0.800   1.361  1.00  0.00           H  
CONECT    1   31                                                      
CONECT    2    3   32   33   34                                       
CONECT    3    2    4   22   18                                       
CONECT    4    5    3   35   36                                       
CONECT    5    4    6   37   38                                       
CONECT    6    5    7   17   39                                       
CONECT    7    8    9    6   14                                       
CONECT    8    7   40   41   42                                       
CONECT    9   10    7   43   44                                       
CONECT   10    9   11   45   46                                       
CONECT   11   10   12   13   47                                       
CONECT   12   11   48                                                 
CONECT   13   11   14   49   50                                       
CONECT   14    7   13   15   15                                       
CONECT   15   14   14   16   51                                       
CONECT   16   17   15   52   53                                       
CONECT   17    6   18   16   54                                       
CONECT   18    3   17   19   55                                       
CONECT   19   18   20   56   57                                       
CONECT   20   22   21   21   19                                       
CONECT   21   20   20                                                 
CONECT   22   23    3   20   58                                       
CONECT   23   24   25   22   59                                       
CONECT   24   23   60   61   62                                       
CONECT   25   23   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   63   64                                       
CONECT   28   27   29   65   66                                       
CONECT   29   28   31   30   67                                       
CONECT   30   29   68   69   70                                       
CONECT   31    1   29   71   72                                       
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
