COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -5.245   4.996   0.122  1.00  0.00           F  
HETATM    2  C   UNL     1      -4.930   3.685   0.201  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.279   3.056  -0.865  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.947   3.799  -2.043  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.682   4.389  -2.978  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.956   1.701  -0.777  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.243   2.965   1.339  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.922   1.624   1.424  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.281   0.989   0.366  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.958  -0.372   0.458  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.827  -0.720   1.084  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.126   0.160   1.547  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.834  -1.304  -0.102  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.998  -0.892  -0.737  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.851  -1.830  -1.285  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.552  -3.178  -1.204  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.392  -3.594  -0.571  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.541  -2.662  -0.025  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.266  -3.076   0.673  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.429  -1.997   1.226  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.179  -2.312   1.922  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.031  -2.359   0.912  1.00  0.00           C  
HETATM   23  C   UNL     1       0.157  -0.974   0.287  1.00  0.00           C  
HETATM   24  C   UNL     1       1.345  -1.012  -0.677  1.00  0.00           C  
HETATM   25  C   UNL     1       1.261  -2.769   1.624  1.00  0.00           C  
HETATM   26  C   UNL     1       2.417  -2.754   0.622  1.00  0.00           C  
HETATM   27  N   UNL     1       2.557  -1.408   0.052  1.00  0.00           N  
HETATM   28  C   UNL     1       3.671  -1.327  -0.758  1.00  0.00           C  
HETATM   29  N   UNL     1       3.775  -2.075  -1.848  1.00  0.00           N  
HETATM   30  C   UNL     1       4.838  -2.007  -2.634  1.00  0.00           C  
HETATM   31  N   UNL     1       5.851  -1.207  -2.396  1.00  0.00           N  
HETATM   32  C   UNL     1       5.848  -0.407  -1.319  1.00  0.00           C  
HETATM   33  C   UNL     1       4.729  -0.439  -0.450  1.00  0.00           C  
HETATM   34  C   UNL     1       6.913   0.458  -1.037  1.00  0.00           C  
HETATM   35  C   UNL     1       6.859   1.258   0.082  1.00  0.00           C  
HETATM   36  O   UNL     1       7.891   2.098   0.357  1.00  0.00           O  
HETATM   37  C   UNL     1       8.991   2.095  -0.555  1.00  0.00           C  
HETATM   38  C   UNL     1       5.751   1.217   0.940  1.00  0.00           C  
HETATM   39  C   UNL     1       4.696   0.390   0.678  1.00  0.00           C  
HETATM   40  O   UNL     1       5.721   2.017   2.039  1.00  0.00           O  
HETATM   41  C   UNL     1       4.565   1.929   2.874  1.00  0.00           C  
HETATM   42  H   UNL     1      -3.454   1.209  -1.597  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.741   3.452   2.164  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.169   1.067   2.315  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.236   0.159  -0.802  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.756  -1.510  -1.779  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.223  -3.906  -1.634  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.157  -4.646  -0.507  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.533  -3.744   1.491  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.663  -3.642  -0.037  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.975  -1.544   2.668  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.270  -3.280   2.413  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.262  -3.083   0.131  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.744  -0.694  -0.258  1.00  0.00           H  
HETATM   55  H   UNL     1       0.350  -0.243   1.073  1.00  0.00           H  
HETATM   56  H   UNL     1       1.147  -1.732  -1.470  1.00  0.00           H  
HETATM   57  H   UNL     1       1.491  -0.023  -1.113  1.00  0.00           H  
HETATM   58  H   UNL     1       1.470  -2.066   2.431  1.00  0.00           H  
HETATM   59  H   UNL     1       1.147  -3.772   2.035  1.00  0.00           H  
HETATM   60  H   UNL     1       3.341  -3.032   1.129  1.00  0.00           H  
HETATM   61  H   UNL     1       2.213  -3.467  -0.178  1.00  0.00           H  
HETATM   62  H   UNL     1       4.874  -2.638  -3.510  1.00  0.00           H  
HETATM   63  H   UNL     1       7.770   0.496  -1.693  1.00  0.00           H  
HETATM   64  H   UNL     1       9.744   2.809  -0.220  1.00  0.00           H  
HETATM   65  H   UNL     1       9.428   1.097  -0.595  1.00  0.00           H  
HETATM   66  H   UNL     1       8.641   2.378  -1.548  1.00  0.00           H  
HETATM   67  H   UNL     1       3.847   0.366   1.344  1.00  0.00           H  
HETATM   68  H   UNL     1       4.670   2.618   3.713  1.00  0.00           H  
HETATM   69  H   UNL     1       3.679   2.191   2.297  1.00  0.00           H  
HETATM   70  H   UNL     1       4.466   0.911   3.250  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    7                                       
CONECT    3    4    2    2    6                                       
CONECT    4    5    5    5    3                                       
CONECT    5    4    4    4                                            
CONECT    6    3    9    9   42                                       
CONECT    7    2    8    8   43                                       
CONECT    8    7    7    9   44                                       
CONECT    9    6    6    8   10                                       
CONECT   10    9   11   13                                            
CONECT   11   12   12   10   20                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   14   18                                       
CONECT   14   13   13   15   45                                       
CONECT   15   14   16   16   46                                       
CONECT   16   15   15   17   47                                       
CONECT   17   18   18   16   48                                       
CONECT   18   13   19   17   17                                       
CONECT   19   20   18   49   50                                       
CONECT   20   11   21   19                                            
CONECT   21   20   22   51   52                                       
CONECT   22   21   25   23   53                                       
CONECT   23   22   24   54   55                                       
CONECT   24   23   27   56   57                                       
CONECT   25   22   26   58   59                                       
CONECT   26   25   27   60   61                                       
CONECT   27   26   24   28                                            
CONECT   28   29   27   33   33                                       
CONECT   29   30   30   28                                            
CONECT   30   29   29   31   62                                       
CONECT   31   30   32   32                                            
CONECT   32   31   31   33   34                                       
CONECT   33   28   28   32   39                                       
CONECT   34   32   35   35   63                                       
CONECT   35   34   34   38   36                                       
CONECT   36   35   37                                                 
CONECT   37   36   64   65   66                                       
CONECT   38   39   39   35   40                                       
CONECT   39   33   38   38   67                                       
CONECT   40   38   41                                                 
CONECT   41   40   68   69   70                                       
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   30                                                      
CONECT   63   34                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   39                                                      
CONECT   68   41                                                      
CONECT   69   41                                                      
CONECT   70   41                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
