COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.622  -3.670  -0.125  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.549  -5.198  -0.065  1.00  0.00           C  
HETATM    3  O   UNL     1       0.240  -5.589   1.062  1.00  0.00           O  
HETATM    4  C   UNL     1       1.574  -5.072   1.038  1.00  0.00           C  
HETATM    5  C   UNL     1       1.522  -3.543   0.990  1.00  0.00           C  
HETATM    6  N   UNL     1       0.741  -3.121  -0.182  1.00  0.00           N  
HETATM    7  C   UNL     1       0.716  -1.746  -0.291  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.424  -1.085  -0.108  1.00  0.00           N  
HETATM    9  N   UNL     1       1.831  -1.081  -0.573  1.00  0.00           N  
HETATM   10  C   UNL     1       1.806   0.244  -0.678  1.00  0.00           C  
HETATM   11  N   UNL     1       2.964   0.935  -0.972  1.00  0.00           N  
HETATM   12  C   UNL     1       2.711   2.382  -1.040  1.00  0.00           C  
HETATM   13  C   UNL     1       4.006   3.103  -1.426  1.00  0.00           C  
HETATM   14  O   UNL     1       5.028   2.776  -0.480  1.00  0.00           O  
HETATM   15  C   UNL     1       5.300   1.375  -0.388  1.00  0.00           C  
HETATM   16  C   UNL     1       4.019   0.636   0.008  1.00  0.00           C  
HETATM   17  N   UNL     1       0.665   0.903  -0.500  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.448   0.239  -0.213  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.639   0.929  -0.022  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.868   0.617  -0.578  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.314  -0.380  -1.432  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.640  -0.416  -1.811  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.530   0.540  -1.344  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.105   1.537  -0.496  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.765   1.587  -0.102  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.058   2.423   0.702  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.817   2.038   0.755  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.734   2.717   1.553  1.00  0.00           C  
HETATM   29  F   UNL     1      -1.312   3.444   2.599  1.00  0.00           F  
HETATM   30  F   UNL     1       0.133   1.753   2.078  1.00  0.00           F  
HETATM   31  H   UNL     1      -1.174  -3.367  -1.014  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.128  -3.295   0.765  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.554  -5.607   0.036  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.091  -5.577  -0.978  1.00  0.00           H  
HETATM   35  H   UNL     1       2.103  -5.390   1.936  1.00  0.00           H  
HETATM   36  H   UNL     1       2.093  -5.447   0.157  1.00  0.00           H  
HETATM   37  H   UNL     1       1.050  -3.165   1.897  1.00  0.00           H  
HETATM   38  H   UNL     1       2.535  -3.147   0.914  1.00  0.00           H  
HETATM   39  H   UNL     1       1.946   2.582  -1.789  1.00  0.00           H  
HETATM   40  H   UNL     1       2.372   2.738  -0.068  1.00  0.00           H  
HETATM   41  H   UNL     1       3.701   0.965   0.997  1.00  0.00           H  
HETATM   42  H   UNL     1       4.208  -0.437   0.023  1.00  0.00           H  
HETATM   43  H   UNL     1       4.316   2.786  -2.421  1.00  0.00           H  
HETATM   44  H   UNL     1       3.837   4.180  -1.422  1.00  0.00           H  
HETATM   45  H   UNL     1       5.648   1.008  -1.354  1.00  0.00           H  
HETATM   46  H   UNL     1       6.068   1.202   0.366  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.626  -1.127  -1.799  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.987  -1.193  -2.476  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.566   0.501  -1.648  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.803   2.278  -0.137  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.176   3.393   0.905  1.00  0.00           H  
CONECT    1    2    6   31   32                                       
CONECT    2    1    3   33   34                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   35   36                                       
CONECT    5    4    6   37   38                                       
CONECT    6    1    5    7                                            
CONECT    7    6    8    9    9                                       
CONECT    8    7   18   18                                            
CONECT    9    7    7   10                                            
CONECT   10    9   11   17   17                                       
CONECT   11   10   12   16                                            
CONECT   12   11   13   39   40                                       
CONECT   13   12   14   43   44                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   45   46                                       
CONECT   16   11   15   41   42                                       
CONECT   17   10   10   18                                            
CONECT   18    8    8   17   19                                       
CONECT   19   18   20   27                                            
CONECT   20   19   21   25   25                                       
CONECT   21   20   22   22   47                                       
CONECT   22   21   21   23   48                                       
CONECT   23   22   24   24   49                                       
CONECT   24   23   23   25   50                                       
CONECT   25   20   20   24   26                                       
CONECT   26   25   27   27                                            
CONECT   27   19   26   26   28                                       
CONECT   28   27   29   30   51                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
