COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.490   2.799  -1.112  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.773   1.413  -0.907  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.074   1.269  -0.111  1.00  0.00           C  
HETATM    4  O   UNL     1      -9.160   1.804  -0.869  1.00  0.00           O  
HETATM    5  C   UNL     1      -8.326  -0.215   0.170  1.00  0.00           C  
HETATM    6  O   UNL     1      -9.498  -0.357   0.975  1.00  0.00           O  
HETATM    7  C   UNL     1      -7.122  -0.798   0.914  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.340  -2.295   1.145  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.272  -2.814   1.940  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.941  -0.604   0.133  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.629   0.768  -0.122  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.423   0.848  -0.883  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.265   0.374  -0.192  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.029   1.130  -0.686  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.866   0.614  -0.035  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.177   2.618  -0.362  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.079   3.339  -0.924  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.083  -1.122  -0.466  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.200  -1.844   0.058  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.798  -1.602   0.216  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.579  -2.980  -0.093  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.618  -0.770  -0.294  1.00  0.00           C  
HETATM   23  O   UNL     1       0.576  -1.174   0.379  1.00  0.00           O  
HETATM   24  C   UNL     1       1.760  -0.535  -0.103  1.00  0.00           C  
HETATM   25  C   UNL     1       2.957  -1.473   0.076  1.00  0.00           C  
HETATM   26  O   UNL     1       4.148  -0.810  -0.353  1.00  0.00           O  
HETATM   27  C   UNL     1       2.745  -2.736  -0.761  1.00  0.00           C  
HETATM   28  O   UNL     1       3.804  -3.660  -0.504  1.00  0.00           O  
HETATM   29  C   UNL     1       2.006   0.752   0.690  1.00  0.00           C  
HETATM   30  O   UNL     1       0.928   1.663   0.470  1.00  0.00           O  
HETATM   31  C   UNL     1       3.318   1.387   0.218  1.00  0.00           C  
HETATM   32  O   UNL     1       3.595   2.550   1.001  1.00  0.00           O  
HETATM   33  C   UNL     1       4.454   0.375   0.385  1.00  0.00           C  
HETATM   34  O   UNL     1       5.672   0.940  -0.106  1.00  0.00           O  
HETATM   35  C   UNL     1       6.821   0.118   0.105  1.00  0.00           C  
HETATM   36  C   UNL     1       7.012  -0.812  -1.096  1.00  0.00           C  
HETATM   37  O   UNL     1       5.883  -1.679  -1.213  1.00  0.00           O  
HETATM   38  C   UNL     1       8.279  -1.647  -0.892  1.00  0.00           C  
HETATM   39  N   UNL     1       9.437  -0.755  -0.751  1.00  0.00           N  
HETATM   40  C   UNL     1       9.297   0.114   0.424  1.00  0.00           C  
HETATM   41  C   UNL     1       8.061   1.002   0.259  1.00  0.00           C  
HETATM   42  C   UNL     1       7.904   1.892   1.494  1.00  0.00           C  
HETATM   43  O   UNL     1       9.007   2.798   1.572  1.00  0.00           O  
HETATM   44  H   UNL     1      -5.678   2.964  -1.611  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.880   0.916  -1.872  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.986   1.810   0.832  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.063   2.740  -1.089  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.465  -0.746  -0.772  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.301  -0.004   0.566  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.009  -0.294   1.874  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.286  -2.448   1.663  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.363  -2.811   0.185  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.345  -3.760   2.126  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.497   1.292   0.825  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.388   0.537   0.878  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.930   1.000  -1.764  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.111   2.990  -0.783  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.186   2.755   0.720  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.108   4.291  -0.758  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.012  -1.290  -1.541  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.151  -2.799  -0.081  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.891  -1.481   1.295  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.781  -3.351   0.307  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.501  -0.924  -1.366  1.00  0.00           H  
HETATM   65  H   UNL     1       1.640  -0.295  -1.159  1.00  0.00           H  
HETATM   66  H   UNL     1       3.051  -1.745   1.128  1.00  0.00           H  
HETATM   67  H   UNL     1       1.792  -3.192  -0.495  1.00  0.00           H  
HETATM   68  H   UNL     1       2.740  -2.473  -1.819  1.00  0.00           H  
HETATM   69  H   UNL     1       3.735  -4.486  -1.002  1.00  0.00           H  
HETATM   70  H   UNL     1       2.074   0.518   1.753  1.00  0.00           H  
HETATM   71  H   UNL     1       1.018   2.502   0.943  1.00  0.00           H  
HETATM   72  H   UNL     1       3.229   1.667  -0.831  1.00  0.00           H  
HETATM   73  H   UNL     1       4.413   3.003   0.756  1.00  0.00           H  
HETATM   74  H   UNL     1       4.568   0.127   1.440  1.00  0.00           H  
HETATM   75  H   UNL     1       6.682  -0.477   1.008  1.00  0.00           H  
HETATM   76  H   UNL     1       7.110  -0.217  -2.004  1.00  0.00           H  
HETATM   77  H   UNL     1       5.937  -2.297  -1.955  1.00  0.00           H  
HETATM   78  H   UNL     1       8.174  -2.252   0.009  1.00  0.00           H  
HETATM   79  H   UNL     1       8.426  -2.300  -1.753  1.00  0.00           H  
HETATM   80  H   UNL     1      10.296  -1.283  -0.710  1.00  0.00           H  
HETATM   81  H   UNL     1       9.187  -0.499   1.319  1.00  0.00           H  
HETATM   82  H   UNL     1      10.184   0.741   0.520  1.00  0.00           H  
HETATM   83  H   UNL     1       8.177   1.625  -0.627  1.00  0.00           H  
HETATM   84  H   UNL     1       6.975   2.457   1.418  1.00  0.00           H  
HETATM   85  H   UNL     1       7.880   1.271   2.389  1.00  0.00           H  
HETATM   86  H   UNL     1       8.973   3.395   2.332  1.00  0.00           H  
CONECT    1    2   44                                                 
CONECT    2    1    3   11   45                                       
CONECT    3    2    4    5   46                                       
CONECT    4    3   47                                                 
CONECT    5    3    6    7   48                                       
CONECT    6    5   49                                                 
CONECT    7    5    8   10   50                                       
CONECT    8    7    9   51   52                                       
CONECT    9    8   53                                                 
CONECT   10    7   11                                                 
CONECT   11    2   10   12   54                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   18   55                                       
CONECT   14   13   15   16   56                                       
CONECT   15   14   22                                                 
CONECT   16   14   17   57   58                                       
CONECT   17   16   59                                                 
CONECT   18   13   19   20   60                                       
CONECT   19   18   61                                                 
CONECT   20   18   21   22   62                                       
CONECT   21   20   63                                                 
CONECT   22   15   20   23   64                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   29   65                                       
CONECT   25   24   26   27   66                                       
CONECT   26   25   33                                                 
CONECT   27   25   28   67   68                                       
CONECT   28   27   69                                                 
CONECT   29   24   30   31   70                                       
CONECT   30   29   71                                                 
CONECT   31   29   32   33   72                                       
CONECT   32   31   73                                                 
CONECT   33   26   31   34   74                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   41   75                                       
CONECT   36   35   37   38   76                                       
CONECT   37   36   77                                                 
CONECT   38   36   39   78   79                                       
CONECT   39   38   40   80                                            
CONECT   40   39   41   81   82                                       
CONECT   41   35   40   42   83                                       
CONECT   42   41   43   84   85                                       
CONECT   43   42   86                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
