COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.987  -0.094   2.810  1.00  0.00           C  
HETATM    2  O   UNL     1       8.514  -0.176   1.485  1.00  0.00           O  
HETATM    3  C   UNL     1       7.629  -0.058   0.460  1.00  0.00           C  
HETATM    4  C   UNL     1       6.282   0.133   0.724  1.00  0.00           C  
HETATM    5  C   UNL     1       8.074  -0.123  -0.858  1.00  0.00           C  
HETATM    6  O   UNL     1       9.396  -0.305  -1.122  1.00  0.00           O  
HETATM    7  C   UNL     1       7.168  -0.002  -1.899  1.00  0.00           C  
HETATM    8  C   UNL     1       5.825   0.183  -1.628  1.00  0.00           C  
HETATM    9  C   UNL     1       5.383   0.253  -0.320  1.00  0.00           C  
HETATM   10  C   UNL     1       3.918   0.454  -0.031  1.00  0.00           C  
HETATM   11  C   UNL     1       3.238  -0.886   0.076  1.00  0.00           C  
HETATM   12  O   UNL     1       3.878  -1.901  -0.068  1.00  0.00           O  
HETATM   13  O   UNL     1       1.922  -0.953   0.331  1.00  0.00           O  
HETATM   14  C   UNL     1       1.334  -2.277   0.421  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.140  -2.154   0.710  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.610  -0.969   0.820  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.033  -0.590   1.109  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.908  -3.419   0.836  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.321  -3.317   0.342  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.173  -3.130   1.473  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.789  -4.570  -0.372  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.569  -5.720  -0.042  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.559  -4.118  -1.535  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.340  -5.032  -2.445  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.462  -2.796  -1.712  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.549  -2.218  -0.674  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.908  -0.857  -0.128  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.639   0.123  -1.131  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.360  -0.780   0.336  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.309  -0.699  -0.869  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.611   0.463   1.161  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.492   1.466   1.208  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.765   2.497   2.268  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.989   3.742   1.928  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.782   2.098   3.721  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.492   2.085  -0.115  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.075   0.928   1.362  1.00  0.00           C  
HETATM   38  O   UNL     1      -1.339   1.497   0.241  1.00  0.00           O  
HETATM   39  C   UNL     1      -2.370   1.471  -0.776  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.947   2.279  -2.005  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.571   3.676  -1.582  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.265   3.964  -1.230  1.00  0.00           C  
HETATM   43  C   UNL     1       0.079   5.245  -0.842  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.881   6.238  -0.806  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.186   5.951  -1.158  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.530   4.671  -1.552  1.00  0.00           C  
HETATM   47  H   UNL     1       7.504   0.873   2.950  1.00  0.00           H  
HETATM   48  H   UNL     1       7.256  -0.889   2.961  1.00  0.00           H  
HETATM   49  H   UNL     1       8.797  -0.204   3.531  1.00  0.00           H  
HETATM   50  H   UNL     1       5.935   0.188   1.745  1.00  0.00           H  
HETATM   51  H   UNL     1       9.658  -1.233  -1.196  1.00  0.00           H  
HETATM   52  H   UNL     1       7.511  -0.052  -2.921  1.00  0.00           H  
HETATM   53  H   UNL     1       5.120   0.277  -2.441  1.00  0.00           H  
HETATM   54  H   UNL     1       3.804   0.996   0.908  1.00  0.00           H  
HETATM   55  H   UNL     1       3.464   1.028  -0.839  1.00  0.00           H  
HETATM   56  H   UNL     1       1.477  -2.803  -0.524  1.00  0.00           H  
HETATM   57  H   UNL     1       1.817  -2.836   1.223  1.00  0.00           H  
HETATM   58  H   UNL     1       0.095  -0.160   0.696  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.411  -1.129   1.982  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.400  -4.194   0.265  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.931  -3.711   1.884  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.126  -3.844   2.124  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.239  -6.061  -2.101  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.392  -4.745  -2.431  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.955  -4.949  -3.461  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.949  -2.253  -2.510  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.572  -2.079  -1.189  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.627  -1.651   0.929  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.184  -1.585  -1.491  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.339  -0.645  -0.517  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.078   0.191  -1.454  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.498   0.955   0.765  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.825   0.145   2.182  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.185   4.483   2.689  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.977   4.028   0.886  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.780   2.201   4.137  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.470   2.744   4.267  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.108   1.062   3.809  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.647   1.196   2.328  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.090   1.799  -2.477  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.774   2.324  -2.713  1.00  0.00           H  
HETATM   82  H   UNL     1       0.485   3.187  -1.257  1.00  0.00           H  
HETATM   83  H   UNL     1       1.099   5.469  -0.567  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.612   7.239  -0.503  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.937   6.727  -1.130  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.550   4.446  -1.827  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2    1    3                                                 
CONECT    3    5    2    4    4                                       
CONECT    4    3    3    9   50                                       
CONECT    5    6    7    7    3                                       
CONECT    6    5   51                                                 
CONECT    7    5    5    8   52                                       
CONECT    8    7    9    9   53                                       
CONECT    9    8    8    4   10                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   13   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   11   14                                                 
CONECT   14   13   15   56   57                                       
CONECT   15   14   16   16   18                                       
CONECT   16   15   15   17   58                                       
CONECT   17   37   16   27   59                                       
CONECT   18   15   19   60   61                                       
CONECT   19   18   20   26   21                                       
CONECT   20   19   62                                                 
CONECT   21   19   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   25   25   24                                       
CONECT   24   23   63   64   65                                       
CONECT   25   26   23   23   66                                       
CONECT   26   27   19   25   67                                       
CONECT   27   17   28   29   26                                       
CONECT   28   39   27                                                 
CONECT   29   31   27   30   68                                       
CONECT   30   29   69   70   71                                       
CONECT   31   32   29   72   73                                       
CONECT   32   33   37   36   31                                       
CONECT   33   35   34   34   32                                       
CONECT   34   33   33   74   75                                       
CONECT   35   33   76   77   78                                       
CONECT   36   32   39                                                 
CONECT   37   38   32   17   79                                       
CONECT   38   37   39                                                 
CONECT   39   38   36   40   28                                       
CONECT   40   39   41   80   81                                       
CONECT   41   46   40   42   42                                       
CONECT   42   41   41   43   82                                       
CONECT   43   44   44   42   83                                       
CONECT   44   45   43   43   84                                       
CONECT   45   46   46   44   85                                       
CONECT   46   45   45   41   86                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   37                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
