COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.661  -4.100   1.555  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.121  -3.443   0.509  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.365  -4.021  -0.247  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.446  -2.028   0.283  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.849  -1.357  -0.699  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.964  -2.083  -1.678  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.058   0.130  -0.831  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.919   0.870  -0.126  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.978   0.585   1.376  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.063   2.374  -0.366  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.262   2.842   0.254  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.860   3.103   0.235  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.064   4.614   0.109  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.609   2.702  -0.503  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.669   2.392  -1.669  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.283   2.687   0.213  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.673   4.090   0.186  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.352   1.721  -0.474  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.936   0.632   0.164  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.471   0.312   1.536  1.00  0.00           C  
HETATM   21  C   UNL     1       0.049  -0.259  -0.468  1.00  0.00           C  
HETATM   22  C   UNL     1       0.466  -1.348   0.170  1.00  0.00           C  
HETATM   23  C   UNL     1       1.474  -2.261  -0.478  1.00  0.00           C  
HETATM   24  C   UNL     1       2.673  -2.441   0.456  1.00  0.00           C  
HETATM   25  C   UNL     1       2.226  -3.167   1.726  1.00  0.00           C  
HETATM   26  C   UNL     1       3.734  -3.253  -0.241  1.00  0.00           C  
HETATM   27  C   UNL     1       4.970  -2.777  -0.350  1.00  0.00           C  
HETATM   28  C   UNL     1       6.058  -3.635  -0.943  1.00  0.00           C  
HETATM   29  C   UNL     1       6.197  -3.325  -2.435  1.00  0.00           C  
HETATM   30  C   UNL     1       5.276  -1.413   0.107  1.00  0.00           C  
HETATM   31  C   UNL     1       6.485  -0.900  -0.096  1.00  0.00           C  
HETATM   32  C   UNL     1       6.798   0.498   0.373  1.00  0.00           C  
HETATM   33  O   UNL     1       7.197   1.317  -0.766  1.00  0.00           O  
HETATM   34  C   UNL     1       7.952   0.455   1.377  1.00  0.00           C  
HETATM   35  C   UNL     1       9.083  -0.406   0.812  1.00  0.00           C  
HETATM   36  C   UNL     1       8.468   1.843   1.640  1.00  0.00           C  
HETATM   37  C   UNL     1       8.258   2.840   0.789  1.00  0.00           C  
HETATM   38  C   UNL     1       7.494   2.603  -0.449  1.00  0.00           C  
HETATM   39  O   UNL     1       7.142   3.525  -1.159  1.00  0.00           O  
HETATM   40  H   UNL     1      -7.417  -5.030   1.663  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.169  -1.533   0.914  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.960  -2.173  -1.264  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.370  -3.077  -1.867  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.922  -1.525  -2.614  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.070   0.403  -1.886  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.008   0.405  -0.373  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.963   0.528  -0.523  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.120   1.042   1.867  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.897   1.001   1.789  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.961  -0.493   1.542  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.108   2.569  -1.437  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.292   2.702   1.211  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.762   2.837   1.288  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.918   4.918   0.715  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.170   5.132   0.456  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.250   4.870  -0.935  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.432   2.375   1.247  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.346   4.788   0.682  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.714   4.079   0.704  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.524   4.401  -0.848  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.024   1.913  -1.485  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.323  -0.363   1.445  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.691  -0.167   2.128  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.787   1.232   2.027  1.00  0.00           H  
HETATM   65  H   UNL     1       0.433  -0.029  -1.451  1.00  0.00           H  
HETATM   66  H   UNL     1       0.082  -1.578   1.153  1.00  0.00           H  
HETATM   67  H   UNL     1       1.015  -3.231  -0.670  1.00  0.00           H  
HETATM   68  H   UNL     1       1.808  -1.824  -1.419  1.00  0.00           H  
HETATM   69  H   UNL     1       3.078  -1.464   0.719  1.00  0.00           H  
HETATM   70  H   UNL     1       1.821  -4.144   1.462  1.00  0.00           H  
HETATM   71  H   UNL     1       3.080  -3.295   2.391  1.00  0.00           H  
HETATM   72  H   UNL     1       1.458  -2.580   2.229  1.00  0.00           H  
HETATM   73  H   UNL     1       3.490  -4.222  -0.650  1.00  0.00           H  
HETATM   74  H   UNL     1       7.001  -3.426  -0.439  1.00  0.00           H  
HETATM   75  H   UNL     1       5.802  -4.687  -0.813  1.00  0.00           H  
HETATM   76  H   UNL     1       6.984  -3.945  -2.864  1.00  0.00           H  
HETATM   77  H   UNL     1       5.254  -3.534  -2.939  1.00  0.00           H  
HETATM   78  H   UNL     1       6.452  -2.273  -2.565  1.00  0.00           H  
HETATM   79  H   UNL     1       4.518  -0.828   0.607  1.00  0.00           H  
HETATM   80  H   UNL     1       7.243  -1.485  -0.595  1.00  0.00           H  
HETATM   81  H   UNL     1       5.917   0.930   0.846  1.00  0.00           H  
HETATM   82  H   UNL     1       7.601   0.018   2.311  1.00  0.00           H  
HETATM   83  H   UNL     1       9.433   0.023  -0.127  1.00  0.00           H  
HETATM   84  H   UNL     1       9.907  -0.438   1.526  1.00  0.00           H  
HETATM   85  H   UNL     1       8.716  -1.417   0.636  1.00  0.00           H  
HETATM   86  H   UNL     1       9.024   2.034   2.546  1.00  0.00           H  
HETATM   87  H   UNL     1       8.646   3.825   1.004  1.00  0.00           H  
CONECT    1    2   40                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    5    2   41                                       
CONECT    5    6    7    4    4                                       
CONECT    6    5   42   43   44                                       
CONECT    7    8    5   45   46                                       
CONECT    8   10    9    7   47                                       
CONECT    9    8   48   49   50                                       
CONECT   10   12    8   11   51                                       
CONECT   11   10   52                                                 
CONECT   12   14   13   10   53                                       
CONECT   13   12   54   55   56                                       
CONECT   14   16   15   15   12                                       
CONECT   15   14   14                                                 
CONECT   16   17   18   14   57                                       
CONECT   17   16   58   59   60                                       
CONECT   18   16   19   19   61                                       
CONECT   19   21   18   18   20                                       
CONECT   20   19   62   63   64                                       
CONECT   21   22   22   19   65                                       
CONECT   22   23   21   21   66                                       
CONECT   23   22   24   67   68                                       
CONECT   24   23   26   25   69                                       
CONECT   25   24   70   71   72                                       
CONECT   26   27   27   24   73                                       
CONECT   27   28   26   26   30                                       
CONECT   28   29   27   74   75                                       
CONECT   29   28   76   77   78                                       
CONECT   30   27   31   31   79                                       
CONECT   31   30   30   32   80                                       
CONECT   32   33   31   34   81                                       
CONECT   33   38   32                                                 
CONECT   34   32   35   36   82                                       
CONECT   35   34   83   84   85                                       
CONECT   36   37   37   34   86                                       
CONECT   37   38   36   36   87                                       
CONECT   38   39   39   33   37                                       
CONECT   39   38   38                                                 
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
