COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.837   1.931  -0.281  1.00  0.00           C  
HETATM    2  C   UNL     1       5.295   3.370  -0.530  1.00  0.00           C  
HETATM    3  N   UNL     1       4.646   4.263   0.440  1.00  0.00           N  
HETATM    4  C   UNL     1       5.119   5.645   0.282  1.00  0.00           C  
HETATM    5  C   UNL     1       3.183   4.190   0.320  1.00  0.00           C  
HETATM    6  C   UNL     1       2.724   2.752   0.569  1.00  0.00           C  
HETATM    7  N   UNL     1       3.374   1.859  -0.401  1.00  0.00           N  
HETATM    8  C   UNL     1       2.923   0.544  -0.250  1.00  0.00           C  
HETATM    9  C   UNL     1       1.573   0.258  -0.329  1.00  0.00           C  
HETATM   10  C   UNL     1       1.171  -1.079  -0.171  1.00  0.00           C  
HETATM   11  C   UNL     1       3.837  -0.492  -0.025  1.00  0.00           C  
HETATM   12  N   UNL     1       3.446  -1.734   0.119  1.00  0.00           N  
HETATM   13  C   UNL     1       2.153  -2.073   0.060  1.00  0.00           C  
HETATM   14  C   UNL     1       1.751  -3.410   0.218  1.00  0.00           C  
HETATM   15  C   UNL     1       0.431  -3.739   0.148  1.00  0.00           C  
HETATM   16  C   UNL     1       0.018  -5.178   0.319  1.00  0.00           C  
HETATM   17  F   UNL     1       0.925  -5.827   1.163  1.00  0.00           F  
HETATM   18  F   UNL     1      -1.262  -5.231   0.882  1.00  0.00           F  
HETATM   19  F   UNL     1       0.005  -5.811  -0.928  1.00  0.00           F  
HETATM   20  C   UNL     1      -0.541  -2.770  -0.078  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.190  -1.446  -0.238  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.169  -0.481  -0.464  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.579  -0.871  -0.533  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.426   0.350  -0.785  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.915   1.083   0.280  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.710   0.739  -2.080  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.486   1.859  -2.311  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.979   2.590  -1.246  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.687   2.206   0.050  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.215   2.989   1.190  1.00  0.00           N1+
HETATM   31  O   UNL     1      -5.906   3.970   0.987  1.00  0.00           O1-
HETATM   32  O   UNL     1      -4.957   2.650   2.332  1.00  0.00           O  
HETATM   33  H   UNL     1       5.295   1.271  -1.018  1.00  0.00           H  
HETATM   34  H   UNL     1       5.135   1.622   0.720  1.00  0.00           H  
HETATM   35  H   UNL     1       6.377   3.432  -0.414  1.00  0.00           H  
HETATM   36  H   UNL     1       5.021   3.670  -1.541  1.00  0.00           H  
HETATM   37  H   UNL     1       4.889   5.995  -0.725  1.00  0.00           H  
HETATM   38  H   UNL     1       4.623   6.284   1.011  1.00  0.00           H  
HETATM   39  H   UNL     1       6.197   5.680   0.441  1.00  0.00           H  
HETATM   40  H   UNL     1       2.725   4.851   1.057  1.00  0.00           H  
HETATM   41  H   UNL     1       2.884   4.500  -0.681  1.00  0.00           H  
HETATM   42  H   UNL     1       2.999   2.452   1.580  1.00  0.00           H  
HETATM   43  H   UNL     1       1.642   2.690   0.453  1.00  0.00           H  
HETATM   44  H   UNL     1       0.849   1.039  -0.506  1.00  0.00           H  
HETATM   45  H   UNL     1       4.891  -0.262   0.030  1.00  0.00           H  
HETATM   46  H   UNL     1       2.490  -4.178   0.394  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.581  -3.058  -0.129  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.917   0.448  -0.576  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.720  -1.584  -1.345  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.876  -1.331   0.410  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.693   0.779   1.293  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.325   0.169  -2.912  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.708   2.164  -3.323  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.586   3.466  -1.426  1.00  0.00           H  
CONECT    1    7    2   33   34                                       
CONECT    2    1    3   35   36                                       
CONECT    3    2    5    4                                            
CONECT    4    3   37   38   39                                       
CONECT    5    6    3   40   41                                       
CONECT    6    7    5   42   43                                       
CONECT    7    8    1    6                                            
CONECT    8    9    9   11    7                                       
CONECT    9   10    8    8   44                                       
CONECT   10   21   21   13    9                                       
CONECT   11   12   12    8   45                                       
CONECT   12   13   11   11                                            
CONECT   13   14   14   10   12                                       
CONECT   14   15   13   13   46                                       
CONECT   15   16   20   20   14                                       
CONECT   16   17   18   19   15                                       
CONECT   17   16                                                      
CONECT   18   16                                                      
CONECT   19   16                                                      
CONECT   20   15   15   21   47                                       
CONECT   21   20   22   10   10                                       
CONECT   22   23   21   48                                            
CONECT   23   24   22   49   50                                       
CONECT   24   25   25   26   23                                       
CONECT   25   29   24   24   51                                       
CONECT   26   27   27   24   52                                       
CONECT   27   28   26   26   53                                       
CONECT   28   29   29   27   54                                       
CONECT   29   30   28   28   25                                       
CONECT   30   31   32   32   29                                       
CONECT   31   30                                                      
CONECT   32   30   30                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
