COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.181  -3.136  -0.829  1.00  0.00           C  
HETATM    2  C   UNL     1       2.549  -4.193  -0.018  1.00  0.00           C  
HETATM    3  C   UNL     1       3.802  -4.210   0.571  1.00  0.00           C  
HETATM    4  F   UNL     1       4.162  -5.243   1.364  1.00  0.00           F  
HETATM    5  C   UNL     1       4.685  -3.167   0.347  1.00  0.00           C  
HETATM    6  C   UNL     1       4.315  -2.112  -0.465  1.00  0.00           C  
HETATM    7  C   UNL     1       3.064  -2.096  -1.053  1.00  0.00           C  
HETATM    8  C   UNL     1       2.662  -0.944  -1.938  1.00  0.00           C  
HETATM    9  N   UNL     1       2.025   0.095  -1.126  1.00  0.00           N1+
HETATM   10  C   UNL     1       0.743   0.229  -0.946  1.00  0.00           C  
HETATM   11  C   UNL     1       2.678   1.066  -0.441  1.00  0.00           C  
HETATM   12  C   UNL     1       4.041   1.404  -0.270  1.00  0.00           C  
HETATM   13  O   UNL     1       4.918   0.751  -0.808  1.00  0.00           O  
HETATM   14  N   UNL     1       4.345   2.468   0.505  1.00  0.00           N  
HETATM   15  C   UNL     1       3.355   3.191   1.102  1.00  0.00           C  
HETATM   16  N   UNL     1       3.695   4.267   1.883  1.00  0.00           N  
HETATM   17  N   UNL     1       2.086   2.887   0.950  1.00  0.00           N  
HETATM   18  C   UNL     1       1.708   1.847   0.198  1.00  0.00           C  
HETATM   19  N   UNL     1       0.499   1.300  -0.136  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.817   1.774   0.300  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.783   0.702   0.241  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.353   2.844  -0.677  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.112   4.156  -0.166  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.870   2.560  -0.748  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.613   3.689  -0.282  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.071   1.354   0.196  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.128   0.404  -0.372  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.329  -0.682   0.535  1.00  0.00           O  
HETATM   29  P   UNL     1      -5.375  -1.874   0.257  1.00  0.00           P  
HETATM   30  O   UNL     1      -5.244  -2.983   1.417  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.872  -1.283   0.246  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.079  -2.494  -1.054  1.00  0.00           O  
HETATM   33  H   UNL     1       1.206  -3.125  -1.293  1.00  0.00           H  
HETATM   34  H   UNL     1       1.859  -5.005   0.156  1.00  0.00           H  
HETATM   35  H   UNL     1       5.663  -3.179   0.806  1.00  0.00           H  
HETATM   36  H   UNL     1       5.004  -1.298  -0.640  1.00  0.00           H  
HETATM   37  H   UNL     1       3.547  -0.534  -2.424  1.00  0.00           H  
HETATM   38  H   UNL     1       1.961  -1.295  -2.695  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.014  -0.412  -1.373  1.00  0.00           H  
HETATM   40  H   UNL     1       5.273   2.719   0.637  1.00  0.00           H  
HETATM   41  H   UNL     1       4.628   4.503   2.004  1.00  0.00           H  
HETATM   42  H   UNL     1       3.001   4.791   2.315  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.758   2.177   1.311  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.895   2.727  -1.660  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.360   1.693   1.190  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.429   4.866  -0.740  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.164   2.305  -1.766  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.476   4.492  -0.803  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.066   0.943  -0.507  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.790   0.017  -1.333  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.846  -3.733   1.314  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.135  -0.861   1.075  1.00  0.00           H  
CONECT    1    2    7    7   33                                       
CONECT    2    1    3    3   34                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3                                                      
CONECT    5    3    6    6   35                                       
CONECT    6    5    5    7   36                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9   19   39                                       
CONECT   11    9   12   18   18                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   40                                            
CONECT   15   14   16   17   17                                       
CONECT   16   15   41   42                                            
CONECT   17   15   15   18                                            
CONECT   18   11   11   17   19                                       
CONECT   19   10   18   20                                            
CONECT   20   19   21   22   43                                       
CONECT   21   20   26                                                 
CONECT   22   20   23   24   44                                       
CONECT   23   22   46                                                 
CONECT   24   22   25   26   47                                       
CONECT   25   24   48                                                 
CONECT   26   21   24   27   45                                       
CONECT   27   26   28   49   50                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   31   32                                       
CONECT   29   32                                                      
CONECT   30   29   51                                                 
CONECT   31   29   52                                                 
CONECT   32   29   29                                                 
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   26                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
