COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.784  -1.230   0.089  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.412  -0.189   0.061  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.759  -0.214   0.033  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.468  -1.497   0.036  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.954  -1.250   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.610  -1.153  -1.212  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.973  -0.927  -1.245  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.661  -1.125   1.182  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.025  -0.904   1.151  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.681  -0.797  -0.063  1.00  0.00           C  
HETATM   11  F   UNL     1      -9.014  -0.581  -0.094  1.00  0.00           F  
HETATM   12  C   UNL     1      -0.702   1.096   0.064  1.00  0.00           C  
HETATM   13  C   UNL     1       0.674   1.281   0.096  1.00  0.00           C  
HETATM   14  N   UNL     1       0.897   2.614   0.086  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.333   3.270   0.046  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.290   2.385   0.027  1.00  0.00           C  
HETATM   17  N   UNL     1       1.652   0.310   0.133  1.00  0.00           N  
HETATM   18  C   UNL     1       2.931   0.876   0.586  1.00  0.00           C  
HETATM   19  C   UNL     1       3.255   2.131  -0.231  1.00  0.00           C  
HETATM   20  C   UNL     1       2.233   3.224   0.113  1.00  0.00           C  
HETATM   21  C   UNL     1       2.309   4.349  -0.922  1.00  0.00           C  
HETATM   22  C   UNL     1       4.026  -0.142   0.397  1.00  0.00           C  
HETATM   23  C   UNL     1       4.051  -0.927  -0.741  1.00  0.00           C  
HETATM   24  C   UNL     1       5.056  -1.861  -0.914  1.00  0.00           C  
HETATM   25  C   UNL     1       6.035  -2.010   0.050  1.00  0.00           C  
HETATM   26  C   UNL     1       7.129  -3.028  -0.138  1.00  0.00           C  
HETATM   27  C   UNL     1       8.307  -2.381  -0.869  1.00  0.00           C  
HETATM   28  C   UNL     1       6.010  -1.224   1.188  1.00  0.00           C  
HETATM   29  C   UNL     1       5.008  -0.287   1.359  1.00  0.00           C  
HETATM   30  H   UNL     1      -3.260   0.616   0.010  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.175  -2.076  -0.840  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.212  -2.050   0.939  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.057  -1.255  -2.134  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.485  -0.851  -2.193  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.148  -1.201   2.129  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.577  -0.807   2.074  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.348   2.597  -0.007  1.00  0.00           H  
HETATM   38  H   UNL     1       1.372  -0.464   0.716  1.00  0.00           H  
HETATM   39  H   UNL     1       2.858   1.139   1.641  1.00  0.00           H  
HETATM   40  H   UNL     1       4.258   2.479   0.015  1.00  0.00           H  
HETATM   41  H   UNL     1       3.200   1.899  -1.295  1.00  0.00           H  
HETATM   42  H   UNL     1       2.437   3.622   1.107  1.00  0.00           H  
HETATM   43  H   UNL     1       1.561   5.108  -0.690  1.00  0.00           H  
HETATM   44  H   UNL     1       3.302   4.799  -0.897  1.00  0.00           H  
HETATM   45  H   UNL     1       2.119   3.943  -1.915  1.00  0.00           H  
HETATM   46  H   UNL     1       3.286  -0.810  -1.494  1.00  0.00           H  
HETATM   47  H   UNL     1       5.075  -2.474  -1.802  1.00  0.00           H  
HETATM   48  H   UNL     1       7.460  -3.390   0.835  1.00  0.00           H  
HETATM   49  H   UNL     1       6.751  -3.863  -0.728  1.00  0.00           H  
HETATM   50  H   UNL     1       7.977  -2.018  -1.842  1.00  0.00           H  
HETATM   51  H   UNL     1       8.686  -1.545  -0.280  1.00  0.00           H  
HETATM   52  H   UNL     1       9.099  -3.117  -1.006  1.00  0.00           H  
HETATM   53  H   UNL     1       6.775  -1.340   1.941  1.00  0.00           H  
HETATM   54  H   UNL     1       4.991   0.329   2.246  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   12                                       
CONECT    3    4    2   30                                            
CONECT    4    5    3   31   32                                       
CONECT    5    8    6    6    4                                       
CONECT    6    7    5    5   33                                       
CONECT    7   10   10    6   34                                       
CONECT    8    9    9    5   35                                       
CONECT    9    8    8   10   36                                       
CONECT   10    9   11    7    7                                       
CONECT   11   10                                                      
CONECT   12    2   16   13   13                                       
CONECT   13   12   12   14   17                                       
CONECT   14   15   13   20                                            
CONECT   15   16   16   14                                            
CONECT   16   12   15   15   37                                       
CONECT   17   13   18   38                                            
CONECT   18   17   19   22   39                                       
CONECT   19   20   18   40   41                                       
CONECT   20   14   21   19   42                                       
CONECT   21   20   43   44   45                                       
CONECT   22   18   23   23   29                                       
CONECT   23   22   22   24   46                                       
CONECT   24   23   25   25   47                                       
CONECT   25   24   24   28   26                                       
CONECT   26   25   27   48   49                                       
CONECT   27   26   50   51   52                                       
CONECT   28   29   29   25   53                                       
CONECT   29   22   28   28   54                                       
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
