COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.678   2.096   3.140  1.00  0.00           C  
HETATM    2  O   UNL     1       4.269   1.264   2.022  1.00  0.00           O  
HETATM    3  C   UNL     1       3.935   1.896   0.878  1.00  0.00           C  
HETATM    4  O   UNL     1       3.984   3.110   0.817  1.00  0.00           O  
HETATM    5  C   UNL     1       3.512   1.120  -0.291  1.00  0.00           C  
HETATM    6  C   UNL     1       3.176   1.755  -1.442  1.00  0.00           C  
HETATM    7  O   UNL     1       2.787   1.042  -2.516  1.00  0.00           O  
HETATM    8  C   UNL     1       2.442   1.788  -3.713  1.00  0.00           C  
HETATM    9  C   UNL     1       3.452  -0.360  -0.217  1.00  0.00           C  
HETATM   10  C   UNL     1       4.627  -1.110  -0.243  1.00  0.00           C  
HETATM   11  C   UNL     1       4.565  -2.487  -0.174  1.00  0.00           C  
HETATM   12  C   UNL     1       3.340  -3.123  -0.078  1.00  0.00           C  
HETATM   13  C   UNL     1       2.171  -2.384  -0.051  1.00  0.00           C  
HETATM   14  C   UNL     1       2.221  -1.006  -0.115  1.00  0.00           C  
HETATM   15  C   UNL     1       0.947  -0.202  -0.085  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.172  -1.086   0.010  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.403  -0.520   0.048  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.542  -1.335   0.141  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.385  -2.833   0.200  1.00  0.00           C  
HETATM   20  F   UNL     1      -2.270  -3.238   1.534  1.00  0.00           F  
HETATM   21  F   UNL     1      -3.505  -3.441  -0.378  1.00  0.00           F  
HETATM   22  F   UNL     1      -1.235  -3.209  -0.503  1.00  0.00           F  
HETATM   23  N   UNL     1      -3.741  -0.805   0.179  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.884   0.525   0.128  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.157   1.118   0.167  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.272   2.474   0.113  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.640   3.105   0.156  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.143   3.285   0.021  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.894   2.745  -0.020  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.736   1.350   0.033  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.520   0.792   0.002  1.00  0.00           N  
HETATM   32  H   UNL     1       3.865   2.773   3.405  1.00  0.00           H  
HETATM   33  H   UNL     1       4.919   1.464   3.994  1.00  0.00           H  
HETATM   34  H   UNL     1       5.556   2.677   2.858  1.00  0.00           H  
HETATM   35  H   UNL     1       3.219   2.833  -1.496  1.00  0.00           H  
HETATM   36  H   UNL     1       1.614   2.463  -3.495  1.00  0.00           H  
HETATM   37  H   UNL     1       3.305   2.367  -4.042  1.00  0.00           H  
HETATM   38  H   UNL     1       2.148   1.095  -4.501  1.00  0.00           H  
HETATM   39  H   UNL     1       5.583  -0.615  -0.319  1.00  0.00           H  
HETATM   40  H   UNL     1       5.475  -3.069  -0.194  1.00  0.00           H  
HETATM   41  H   UNL     1       3.297  -4.201  -0.023  1.00  0.00           H  
HETATM   42  H   UNL     1       1.218  -2.886   0.023  1.00  0.00           H  
HETATM   43  H   UNL     1       0.958   0.465   0.777  1.00  0.00           H  
HETATM   44  H   UNL     1       0.868   0.386  -0.999  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.041   0.501   0.238  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.917   3.302   1.191  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.624   4.042  -0.401  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.366   2.428  -0.293  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.261   4.358  -0.020  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.028   3.387  -0.092  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3                                                 
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    3    6    6    9                                       
CONECT    6    5    5    7   35                                       
CONECT    7    6    8                                                 
CONECT    8    7   36   37   38                                       
CONECT    9    5   14   14   10                                       
CONECT   10    9   11   11   39                                       
CONECT   11   10   10   12   40                                       
CONECT   12   11   13   13   41                                       
CONECT   13   12   12   14   42                                       
CONECT   14    9    9   13   15                                       
CONECT   15   14   16   43   44                                       
CONECT   16   15   17                                                 
CONECT   17   16   31   31   18                                       
CONECT   18   17   23   23   19                                       
CONECT   19   18   22   21   20                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   18   18   24                                            
CONECT   24   23   25   25   30                                       
CONECT   25   24   24   26   45                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   46   47   48                                       
CONECT   28   26   26   29   49                                       
CONECT   29   28   30   30   50                                       
CONECT   30   24   29   29   31                                       
CONECT   31   17   17   30                                            
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
