COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.594  -0.743   0.647  1.00  0.00           O  
HETATM    2  C   UNL     1       3.372  -0.257  -0.146  1.00  0.00           C  
HETATM    3  N   UNL     1       4.491  -0.926  -0.487  1.00  0.00           N  
HETATM    4  C   UNL     1       4.768  -2.239   0.100  1.00  0.00           C  
HETATM    5  C   UNL     1       4.326  -2.418   1.493  1.00  0.00           C  
HETATM    6  N   UNL     1       3.985  -2.555   2.568  1.00  0.00           N  
HETATM    7  C   UNL     1       6.054  -2.948  -0.329  1.00  0.00           C  
HETATM    8  C   UNL     1       4.698  -3.456  -0.825  1.00  0.00           C  
HETATM    9  C   UNL     1       3.084   1.091  -0.755  1.00  0.00           C  
HETATM   10  C   UNL     1       4.211   2.062  -0.400  1.00  0.00           C  
HETATM   11  C   UNL     1       3.919   3.431  -1.018  1.00  0.00           C  
HETATM   12  C   UNL     1       2.594   3.965  -0.471  1.00  0.00           C  
HETATM   13  C   UNL     1       1.467   2.994  -0.826  1.00  0.00           C  
HETATM   14  C   UNL     1       1.759   1.625  -0.208  1.00  0.00           C  
HETATM   15  C   UNL     1       0.649   0.668  -0.558  1.00  0.00           C  
HETATM   16  O   UNL     1       0.679   0.063  -1.609  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.378   0.486   0.296  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.498   1.296   1.517  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.768   2.150   1.429  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.910   1.287   0.948  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.415  -0.527   0.028  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.751   0.099   0.325  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.073  -0.407   0.020  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.521  -1.572  -0.610  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.891  -1.728  -0.731  1.00  0.00           C  
HETATM   26  F   UNL     1      -6.374  -2.837  -1.333  1.00  0.00           F  
HETATM   27  C   UNL     1      -6.782  -0.779  -0.252  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.359   0.380   0.375  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.984   0.563   0.510  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.246   1.568   1.069  1.00  0.00           N  
HETATM   31  H   UNL     1       5.114  -0.538  -1.122  1.00  0.00           H  
HETATM   32  H   UNL     1       6.694  -2.438  -1.049  1.00  0.00           H  
HETATM   33  H   UNL     1       6.573  -3.547   0.420  1.00  0.00           H  
HETATM   34  H   UNL     1       4.324  -4.389  -0.402  1.00  0.00           H  
HETATM   35  H   UNL     1       4.446  -3.279  -1.871  1.00  0.00           H  
HETATM   36  H   UNL     1       3.017   0.993  -1.839  1.00  0.00           H  
HETATM   37  H   UNL     1       4.279   2.160   0.684  1.00  0.00           H  
HETATM   38  H   UNL     1       5.155   1.681  -0.789  1.00  0.00           H  
HETATM   39  H   UNL     1       4.722   4.123  -0.765  1.00  0.00           H  
HETATM   40  H   UNL     1       3.852   3.333  -2.101  1.00  0.00           H  
HETATM   41  H   UNL     1       2.661   4.063   0.613  1.00  0.00           H  
HETATM   42  H   UNL     1       2.386   4.940  -0.911  1.00  0.00           H  
HETATM   43  H   UNL     1       0.523   3.375  -0.437  1.00  0.00           H  
HETATM   44  H   UNL     1       1.400   2.896  -1.910  1.00  0.00           H  
HETATM   45  H   UNL     1       1.826   1.723   0.876  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.561   0.639   2.385  1.00  0.00           H  
HETATM   47  H   UNL     1       0.373   1.944   1.612  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.005   2.553   2.413  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.608   2.970   0.728  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.373  -0.832  -1.017  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.262  -1.393   0.673  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.831  -2.314  -0.985  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.841  -0.950  -0.372  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.063   1.111   0.743  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.613   2.362   1.489  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    9                                       
CONECT    3    4    2   31                                            
CONECT    4    8    5    7    3                                       
CONECT    5    6    6    6    4                                       
CONECT    6    5    5    5                                            
CONECT    7    8    4   32   33                                       
CONECT    8    7    4   34   35                                       
CONECT    9    2   10   14   36                                       
CONECT   10    9   11   37   38                                       
CONECT   11   10   12   39   40                                       
CONECT   12   11   13   41   42                                       
CONECT   13   14   12   43   44                                       
CONECT   14    9   15   13   45                                       
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   21   18   15                                            
CONECT   18   19   17   46   47                                       
CONECT   19   20   18   48   49                                       
CONECT   20   30   22   22   19                                       
CONECT   21   22   17   50   51                                       
CONECT   22   23   20   20   21                                       
CONECT   23   29   29   24   22                                       
CONECT   24   25   25   23   52                                       
CONECT   25   27   26   24   24                                       
CONECT   26   25                                                      
CONECT   27   28   28   25   53                                       
CONECT   28   27   27   29   54                                       
CONECT   29   28   30   23   23                                       
CONECT   30   29   20   55                                            
CONECT   31    3                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
