COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.103  -0.267  -0.856  1.00  0.00           O  
HETATM    2  C   UNL     1       6.042   0.862  -0.412  1.00  0.00           C  
HETATM    3  O   UNL     1       7.126   1.660  -0.448  1.00  0.00           O  
HETATM    4  C   UNL     1       8.334   1.104  -1.032  1.00  0.00           C  
HETATM    5  C   UNL     1       8.063   0.712  -2.486  1.00  0.00           C  
HETATM    6  C   UNL     1       9.450   2.149  -0.985  1.00  0.00           C  
HETATM    7  C   UNL     1       8.760  -0.134  -0.241  1.00  0.00           C  
HETATM    8  C   UNL     1       2.442   1.315   0.179  1.00  0.00           C  
HETATM    9  O   UNL     1       2.403   2.056   1.400  1.00  0.00           O  
HETATM   10  C   UNL     1       3.705   0.453   0.146  1.00  0.00           C  
HETATM   11  N   UNL     1       4.887   1.318   0.112  1.00  0.00           N  
HETATM   12  C   UNL     1       3.754  -0.428   1.396  1.00  0.00           C  
HETATM   13  C   UNL     1       4.932  -1.364   1.306  1.00  0.00           C  
HETATM   14  C   UNL     1       6.160  -0.980   1.810  1.00  0.00           C  
HETATM   15  C   UNL     1       4.782  -2.609   0.723  1.00  0.00           C  
HETATM   16  C   UNL     1       7.241  -1.839   1.727  1.00  0.00           C  
HETATM   17  C   UNL     1       5.863  -3.467   0.640  1.00  0.00           C  
HETATM   18  C   UNL     1       7.092  -3.081   1.140  1.00  0.00           C  
HETATM   19  N   UNL     1       0.001   1.247  -0.001  1.00  0.00           N  
HETATM   20  C   UNL     1       1.208   0.415   0.089  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.207   0.415  -0.089  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.441   1.315  -0.180  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.401   2.055  -1.402  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.704   0.453  -0.147  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.885   1.319  -0.113  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.753  -0.428  -1.396  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.931  -1.364  -1.305  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.160  -0.980  -1.809  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.782  -2.608  -0.721  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.240  -1.839  -1.725  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.862  -3.467  -0.637  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.092  -3.081  -1.137  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.102  -0.265   0.856  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.041   0.864   0.411  1.00  0.00           C  
HETATM   35  O   UNL     1      -7.126   1.660   0.441  1.00  0.00           O  
HETATM   36  C   UNL     1      -8.335   1.103   1.021  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.071   0.713   2.476  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.453   2.146   0.968  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.757  -0.136   0.229  1.00  0.00           C  
HETATM   40  H   UNL     1       7.759   1.594  -3.050  1.00  0.00           H  
HETATM   41  H   UNL     1       8.970   0.295  -2.924  1.00  0.00           H  
HETATM   42  H   UNL     1       7.268  -0.032  -2.519  1.00  0.00           H  
HETATM   43  H   UNL     1       9.643   2.429   0.051  1.00  0.00           H  
HETATM   44  H   UNL     1      10.357   1.732  -1.424  1.00  0.00           H  
HETATM   45  H   UNL     1       9.146   3.031  -1.549  1.00  0.00           H  
HETATM   46  H   UNL     1       7.965  -0.878  -0.274  1.00  0.00           H  
HETATM   47  H   UNL     1       9.667  -0.551  -0.679  1.00  0.00           H  
HETATM   48  H   UNL     1       8.953   0.146   0.795  1.00  0.00           H  
HETATM   49  H   UNL     1       2.451   2.005  -0.665  1.00  0.00           H  
HETATM   50  H   UNL     1       2.393   1.505   2.195  1.00  0.00           H  
HETATM   51  H   UNL     1       3.692  -0.178  -0.743  1.00  0.00           H  
HETATM   52  H   UNL     1       4.838   2.220   0.467  1.00  0.00           H  
HETATM   53  H   UNL     1       3.858   0.201   2.280  1.00  0.00           H  
HETATM   54  H   UNL     1       2.834  -1.008   1.468  1.00  0.00           H  
HETATM   55  H   UNL     1       6.276  -0.009   2.269  1.00  0.00           H  
HETATM   56  H   UNL     1       3.822  -2.911   0.333  1.00  0.00           H  
HETATM   57  H   UNL     1       8.201  -1.538   2.120  1.00  0.00           H  
HETATM   58  H   UNL     1       5.746  -4.440   0.185  1.00  0.00           H  
HETATM   59  H   UNL     1       7.937  -3.752   1.074  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.057   1.886   0.778  1.00  0.00           H  
HETATM   61  H   UNL     1       1.281  -0.214  -0.798  1.00  0.00           H  
HETATM   62  H   UNL     1       1.151  -0.214   0.977  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.150  -0.214  -0.977  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.281  -0.214   0.798  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.450   2.006   0.663  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.391   1.504  -2.196  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.691  -0.177   0.743  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.836   2.220  -0.469  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.856   0.200  -2.281  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.833  -1.009  -1.468  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.275  -0.010  -2.269  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.821  -2.910  -0.331  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.200  -1.538  -2.119  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.746  -4.439  -0.181  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.936  -3.751  -1.071  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.771   1.596   3.040  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.979   0.295   2.911  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.274  -0.031   2.514  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.642   2.424  -0.069  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.361   1.729   1.403  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.153   3.029   1.532  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.960  -0.880   0.267  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.665  -0.554   0.664  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.945   0.142  -0.808  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   40   41   42                                       
CONECT    6    4   43   44   45                                       
CONECT    7    4   46   47   48                                       
CONECT    8    9   10   49   20                                       
CONECT    9    8   50                                                 
CONECT   10    8   11   12   51                                       
CONECT   11   10   52    2                                            
CONECT   12   10   13   53   54                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   16   55                                       
CONECT   15   13   17   17   56                                       
CONECT   16   14   18   18   57                                       
CONECT   17   15   15   18   58                                       
CONECT   18   16   16   17   59                                       
CONECT   19   20   21   60                                            
CONECT   20   19   61   62    8                                       
CONECT   21   19   63   64   22                                       
CONECT   22   23   24   65   21                                       
CONECT   23   22   66                                                 
CONECT   24   22   25   26   67                                       
CONECT   25   24   68   34                                            
CONECT   26   24   27   69   70                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27   30   71                                       
CONECT   29   27   31   31   72                                       
CONECT   30   28   32   32   73                                       
CONECT   31   29   29   32   74                                       
CONECT   32   30   30   31   75                                       
CONECT   33   34   34                                                 
CONECT   34   33   33   35   25                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   38   39                                       
CONECT   37   36   76   77   78                                       
CONECT   38   36   79   80   81                                       
CONECT   39   36   82   83   84                                       
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
