COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.871   0.068  -2.450  1.00  0.00           C  
HETATM    2  O   UNL     1       2.942   0.593  -2.641  1.00  0.00           O  
HETATM    3  C   UNL     1       1.659  -1.359  -2.881  1.00  0.00           C  
HETATM    4  C   UNL     1       2.344  -2.316  -1.904  1.00  0.00           C  
HETATM    5  C   UNL     1       1.517  -3.585  -1.754  1.00  0.00           C  
HETATM    6  C   UNL     1       0.588  -3.559  -0.546  1.00  0.00           C  
HETATM    7  C   UNL     1       0.224  -2.134  -0.142  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.696  -4.323  -0.895  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.747  -4.076   0.156  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.510  -4.304   1.319  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.105  -3.554  -0.242  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.181  -2.050   0.029  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.595  -1.684   0.480  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.817  -0.180   0.320  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.039   0.455   1.695  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.245   1.962   1.528  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.374   2.614   2.907  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.043   2.565   0.794  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.814   1.823  -0.521  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.673   0.422  -0.291  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.639   2.388  -1.256  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.383   2.222  -0.913  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.014   1.401   0.290  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.339   2.899  -1.758  1.00  0.00           C  
HETATM   25  C   UNL     1       1.004   2.191  -1.788  1.00  0.00           C  
HETATM   26  O   UNL     1       0.864   0.756  -1.887  1.00  0.00           O  
HETATM   27  C   UNL     1       1.855   2.582  -0.579  1.00  0.00           C  
HETATM   28  O   UNL     1       1.984   4.004  -0.526  1.00  0.00           O  
HETATM   29  N   UNL     1       3.183   1.975  -0.700  1.00  0.00           N  
HETATM   30  C   UNL     1       3.732   1.339   0.354  1.00  0.00           C  
HETATM   31  O   UNL     1       3.124   1.269   1.407  1.00  0.00           O  
HETATM   32  C   UNL     1       5.057   0.733   0.234  1.00  0.00           C  
HETATM   33  C   UNL     1       5.558  -0.005   1.250  1.00  0.00           C  
HETATM   34  C   UNL     1       4.839  -0.083   2.522  1.00  0.00           C  
HETATM   35  C   UNL     1       5.386  -0.718   3.560  1.00  0.00           C  
HETATM   36  C   UNL     1       4.645  -0.798   4.869  1.00  0.00           C  
HETATM   37  H   UNL     1       0.592  -1.574  -2.923  1.00  0.00           H  
HETATM   38  H   UNL     1       2.088  -1.497  -3.877  1.00  0.00           H  
HETATM   39  H   UNL     1       3.321  -2.596  -2.341  1.00  0.00           H  
HETATM   40  H   UNL     1       2.551  -1.834  -0.959  1.00  0.00           H  
HETATM   41  H   UNL     1       0.919  -3.733  -2.662  1.00  0.00           H  
HETATM   42  H   UNL     1       2.194  -4.443  -1.663  1.00  0.00           H  
HETATM   43  H   UNL     1       1.074  -4.059   0.296  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.280  -1.639  -0.973  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.439  -2.160   0.722  1.00  0.00           H  
HETATM   46  H   UNL     1       1.131  -1.585   0.111  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.064  -3.977  -1.864  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.479  -5.388  -0.952  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.265  -3.738  -1.306  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.873  -4.067   0.335  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.475  -1.785   0.816  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.935  -1.508  -0.884  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.324  -2.225  -0.125  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.724  -1.959   1.528  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.695  -0.004  -0.303  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.919   0.017   2.162  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.165   0.276   2.322  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.152   2.146   0.953  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.466   2.432   3.482  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.521   3.688   2.790  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.228   2.186   3.433  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.247   3.617   0.581  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.163   2.496   1.430  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.711   1.967  -1.148  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.829   2.990  -2.149  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.919   1.018   0.761  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.384   0.566  -0.018  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.470   2.023   1.002  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.724   2.973  -2.785  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.201   3.924  -1.392  1.00  0.00           H  
HETATM   71  H   UNL     1       1.545   2.532  -2.692  1.00  0.00           H  
HETATM   72  H   UNL     1       1.375   2.226   0.333  1.00  0.00           H  
HETATM   73  H   UNL     1       2.404   4.390  -1.307  1.00  0.00           H  
HETATM   74  H   UNL     1       3.667   2.030  -1.538  1.00  0.00           H  
HETATM   75  H   UNL     1       5.636   0.875  -0.667  1.00  0.00           H  
HETATM   76  H   UNL     1       6.490  -0.537   1.122  1.00  0.00           H  
HETATM   77  H   UNL     1       3.865   0.373   2.620  1.00  0.00           H  
HETATM   78  H   UNL     1       6.360  -1.174   3.461  1.00  0.00           H  
HETATM   79  H   UNL     1       4.459   0.208   5.244  1.00  0.00           H  
HETATM   80  H   UNL     1       3.695  -1.311   4.718  1.00  0.00           H  
HETATM   81  H   UNL     1       5.245  -1.350   5.593  1.00  0.00           H  
CONECT    1    3    2    2   26                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   37   38                                       
CONECT    4    5    3   39   40                                       
CONECT    5    6    4   41   42                                       
CONECT    6    7    8    5   43                                       
CONECT    7    6   44   45   46                                       
CONECT    8    9    6   47   48                                       
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   49   50                                       
CONECT   12   11   13   51   52                                       
CONECT   13   12   14   53   54                                       
CONECT   14   13   15   20   55                                       
CONECT   15   14   16   56   57                                       
CONECT   16   15   17   18   58                                       
CONECT   17   16   59   60   61                                       
CONECT   18   16   19   62   63                                       
CONECT   19   20   18   21   64                                       
CONECT   20   14   19                                                 
CONECT   21   19   22   22   65                                       
CONECT   22   21   21   23   24                                       
CONECT   23   22   66   67   68                                       
CONECT   24   22   25   69   70                                       
CONECT   25   26   24   27   71                                       
CONECT   26    1   25                                                 
CONECT   27   25   28   29   72                                       
CONECT   28   27   73                                                 
CONECT   29   27   30   74                                            
CONECT   30   29   32   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   33   75                                       
CONECT   33   32   32   34   76                                       
CONECT   34   33   35   35   77                                       
CONECT   35   34   34   36   78                                       
CONECT   36   35   79   80   81                                       
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
