COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.955  -0.268   0.924  1.00  0.00           C  
HETATM    2  O   UNL     1       5.167   1.299  -0.351  1.00  0.00           O  
HETATM    3  C   UNL     1       1.750   0.428  -0.044  1.00  0.00           C  
HETATM    4  C   UNL     1       3.075  -1.414  -1.602  1.00  0.00           C  
HETATM    5  C   UNL     1       4.545  -1.008  -1.353  1.00  0.00           C  
HETATM    6  C   UNL     1       3.888  -2.600   0.330  1.00  0.00           C  
HETATM    7  C   UNL     1       2.573  -1.945  -0.224  1.00  0.00           C  
HETATM    8  C   UNL     1       4.220   1.110   0.375  1.00  0.00           C  
HETATM    9  O   UNL     1       3.403   2.127   0.691  1.00  0.00           O  
HETATM   10  C   UNL     1       4.794  -1.331   0.152  1.00  0.00           C  
HETATM   11  C   UNL     1       2.484  -0.674   0.675  1.00  0.00           C  
HETATM   12  O   UNL     1       2.283   1.013  -0.963  1.00  0.00           O  
HETATM   13  H   UNL     1       4.183  -0.301   1.990  1.00  0.00           H  
HETATM   14  H   UNL     1       2.489  -0.549  -1.912  1.00  0.00           H  
HETATM   15  H   UNL     1       3.020  -2.199  -2.356  1.00  0.00           H  
HETATM   16  H   UNL     1       5.214  -1.594  -1.983  1.00  0.00           H  
HETATM   17  H   UNL     1       4.683   0.057  -1.542  1.00  0.00           H  
HETATM   18  H   UNL     1       3.790  -2.890   1.376  1.00  0.00           H  
HETATM   19  H   UNL     1       4.222  -3.432  -0.291  1.00  0.00           H  
HETATM   20  H   UNL     1       1.688  -2.580  -0.240  1.00  0.00           H  
HETATM   21  H   UNL     1       3.655   3.007   0.377  1.00  0.00           H  
HETATM   22  H   UNL     1       5.834  -1.435   0.463  1.00  0.00           H  
HETATM   23  H   UNL     1       1.990  -0.909   1.617  1.00  0.00           H  
HETATM   24  N   UNL     1       0.500   0.763   0.334  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.272   1.766  -0.416  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.130   0.131   1.503  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.509  -0.394   1.088  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.645   1.173  -0.751  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.282   0.697   0.479  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.601   0.301   0.237  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.499   1.191  -0.337  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.013  -0.984   0.565  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.316  -1.373   0.324  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.802   0.798  -0.576  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.212  -0.482  -0.244  1.00  0.00           C  
HETATM   36  F   UNL     1      -7.486  -0.864  -0.479  1.00  0.00           F  
HETATM   37  H   UNL     1      -0.398   2.661   0.193  1.00  0.00           H  
HETATM   38  H   UNL     1       0.253   2.018  -1.337  1.00  0.00           H  
HETATM   39  H   UNL     1       0.488  -0.697   1.849  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.243   0.866   2.300  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.388  -1.202   0.366  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.035  -0.767   1.967  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.270   1.939  -1.209  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.522   0.340  -1.444  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.180   2.190  -0.596  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.315  -1.679   1.007  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.637  -2.372   0.579  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.501   1.490  -1.022  1.00  0.00           H  
CONECT    1   10   11    8   13                                       
CONECT    2    8    8                                                 
CONECT    3   11   12   12   24                                       
CONECT    4    7    5   14   15                                       
CONECT    5   10    4   16   17                                       
CONECT    6   10    7   18   19                                       
CONECT    7    6   11    4   20                                       
CONECT    8    1    2    2    9                                       
CONECT    9    8   21                                                 
CONECT   10    6    1    5   22                                       
CONECT   11    1    7    3   23                                       
CONECT   12    3    3                                                 
CONECT   13    1                                                      
CONECT   14    4                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24    3   25   26                                            
CONECT   25   24   28   37   38                                       
CONECT   26   24   27   39   40                                       
CONECT   27   26   29   41   42                                       
CONECT   28   25   29   43   44                                       
CONECT   29   27   28   30                                            
CONECT   30   29   31   32   32                                       
CONECT   31   30   34   34   45                                       
CONECT   32   30   30   33   46                                       
CONECT   33   32   35   35   47                                       
CONECT   34   31   31   35   48                                       
CONECT   35   34   33   33   36                                       
CONECT   36   35                                                      
CONECT   37   25                                                      
CONECT   38   25                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
CONECT   41   27                                                      
CONECT   42   27                                                      
CONECT   43   28                                                      
CONECT   44   28                                                      
CONECT   45   31                                                      
CONECT   46   32                                                      
CONECT   47   33                                                      
CONECT   48   34                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
