COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.622   1.542   1.999  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.780   1.176   1.586  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.304  -0.055   1.940  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.587  -0.396   1.565  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.356   0.503   0.828  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.824   1.741   0.474  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.541   2.073   0.860  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.737   0.142   0.421  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.271  -1.094   0.780  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.558  -1.422   0.403  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.317  -0.526  -0.328  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.792   0.702  -0.687  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.506   1.041  -0.315  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.721  -0.890  -0.737  1.00  0.00           C  
HETATM   15  F   UNL     1      -9.036  -0.254  -1.942  1.00  0.00           F  
HETATM   16  F   UNL     1      -8.814  -2.276  -0.903  1.00  0.00           F  
HETATM   17  F   UNL     1      -9.617  -0.479   0.256  1.00  0.00           F  
HETATM   18  N   UNL     1       1.564   1.116   0.960  1.00  0.00           N  
HETATM   19  C   UNL     1       1.910   2.028  -0.133  1.00  0.00           C  
HETATM   20  C   UNL     1       3.126   2.865   0.267  1.00  0.00           C  
HETATM   21  N   UNL     1       3.473   3.779  -0.829  1.00  0.00           N  
HETATM   22  C   UNL     1       4.480   4.759  -0.399  1.00  0.00           C  
HETATM   23  C   UNL     1       3.813   5.826   0.472  1.00  0.00           C  
HETATM   24  C   UNL     1       3.934   3.036  -2.009  1.00  0.00           C  
HETATM   25  C   UNL     1       3.922   3.958  -3.230  1.00  0.00           C  
HETATM   26  C   UNL     1       2.112  -0.114   1.011  1.00  0.00           C  
HETATM   27  O   UNL     1       1.824  -0.872   1.919  1.00  0.00           O  
HETATM   28  C   UNL     1       3.023  -0.526   0.005  1.00  0.00           C  
HETATM   29  C   UNL     1       3.569  -1.753   0.056  1.00  0.00           C  
HETATM   30  O   UNL     1       3.251  -2.592   1.062  1.00  0.00           O  
HETATM   31  C   UNL     1       4.538  -2.191  -1.013  1.00  0.00           C  
HETATM   32  C   UNL     1       3.936  -3.361  -1.819  1.00  0.00           C  
HETATM   33  C   UNL     1       5.163  -4.277  -2.070  1.00  0.00           C  
HETATM   34  C   UNL     1       5.960  -4.098  -0.754  1.00  0.00           C  
HETATM   35  N   UNL     1       5.778  -2.680  -0.393  1.00  0.00           N  
HETATM   36  C   UNL     1       6.611  -1.953   0.377  1.00  0.00           C  
HETATM   37  O   UNL     1       6.361  -0.787   0.609  1.00  0.00           O  
HETATM   38  H   UNL     1       0.692   2.621   2.132  1.00  0.00           H  
HETATM   39  H   UNL     1       0.867   1.044   2.937  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.706  -0.751   2.511  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.995  -1.357   1.841  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.418   2.443  -0.093  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.128   3.033   0.586  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.679  -1.794   1.350  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.973  -2.380   0.681  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.388   1.397  -1.259  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.099   2.002  -0.592  1.00  0.00           H  
HETATM   48  H   UNL     1       2.144   1.450  -1.027  1.00  0.00           H  
HETATM   49  H   UNL     1       1.066   2.687  -0.337  1.00  0.00           H  
HETATM   50  H   UNL     1       2.892   3.443   1.161  1.00  0.00           H  
HETATM   51  H   UNL     1       3.970   2.206   0.471  1.00  0.00           H  
HETATM   52  H   UNL     1       5.256   4.254   0.176  1.00  0.00           H  
HETATM   53  H   UNL     1       4.925   5.231  -1.275  1.00  0.00           H  
HETATM   54  H   UNL     1       3.482   5.376   1.408  1.00  0.00           H  
HETATM   55  H   UNL     1       4.528   6.621   0.684  1.00  0.00           H  
HETATM   56  H   UNL     1       2.954   6.241  -0.056  1.00  0.00           H  
HETATM   57  H   UNL     1       4.947   2.673  -1.837  1.00  0.00           H  
HETATM   58  H   UNL     1       3.270   2.189  -2.187  1.00  0.00           H  
HETATM   59  H   UNL     1       4.546   4.830  -3.032  1.00  0.00           H  
HETATM   60  H   UNL     1       4.312   3.421  -4.095  1.00  0.00           H  
HETATM   61  H   UNL     1       2.901   4.280  -3.432  1.00  0.00           H  
HETATM   62  H   UNL     1       3.278   0.146  -0.800  1.00  0.00           H  
HETATM   63  H   UNL     1       3.669  -3.464   1.055  1.00  0.00           H  
HETATM   64  H   UNL     1       4.757  -1.357  -1.678  1.00  0.00           H  
HETATM   65  H   UNL     1       3.178  -3.883  -1.234  1.00  0.00           H  
HETATM   66  H   UNL     1       3.517  -3.006  -2.760  1.00  0.00           H  
HETATM   67  H   UNL     1       4.855  -5.315  -2.203  1.00  0.00           H  
HETATM   68  H   UNL     1       5.740  -3.931  -2.927  1.00  0.00           H  
HETATM   69  H   UNL     1       5.554  -4.743   0.026  1.00  0.00           H  
HETATM   70  H   UNL     1       7.015  -4.316  -0.917  1.00  0.00           H  
HETATM   71  O   UNL     1       7.721  -2.518   0.888  1.00  0.00           O  
HETATM   72  H   UNL     1       8.288  -1.957   1.435  1.00  0.00           H  
CONECT    1    2   18   38   39                                       
CONECT    2    7    1    3    3                                       
CONECT    3    2    2    4   40                                       
CONECT    4    5    5    3   41                                       
CONECT    5    6    8    4    4                                       
CONECT    6    7    7    5   42                                       
CONECT    7    6    6    2   43                                       
CONECT    8    9    9   13    5                                       
CONECT    9   10    8    8   44                                       
CONECT   10   11   11    9   45                                       
CONECT   11   14   10   10   12                                       
CONECT   12   11   13   13   46                                       
CONECT   13   12   12    8   47                                       
CONECT   14   15   11   17   16                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18    1   26   19                                            
CONECT   19   18   20   48   49                                       
CONECT   20   19   21   50   51                                       
CONECT   21   20   22   24                                            
CONECT   22   21   23   52   53                                       
CONECT   23   22   54   55   56                                       
CONECT   24   21   25   57   58                                       
CONECT   25   24   59   60   61                                       
CONECT   26   27   27   18   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   29   62                                       
CONECT   29   28   28   31   30                                       
CONECT   30   29   63                                                 
CONECT   31   35   29   32   64                                       
CONECT   32   33   31   65   66                                       
CONECT   33   34   32   67   68                                       
CONECT   34   35   33   69   70                                       
CONECT   35   36   34   31                                            
CONECT   36   37   37   35   71                                       
CONECT   37   36   36                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   28                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   36   72                                                 
CONECT   72   71                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
