COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.508  -1.512   0.883  1.00  0.00           C  
HETATM    2  C   UNL     1       6.240  -0.696   1.146  1.00  0.00           C  
HETATM    3  C   UNL     1       5.246  -0.916   0.004  1.00  0.00           C  
HETATM    4  C   UNL     1       5.919  -0.584  -1.329  1.00  0.00           C  
HETATM    5  C   UNL     1       4.891  -0.683  -2.458  1.00  0.00           C  
HETATM    6  O   UNL     1       4.823  -2.280  -0.003  1.00  0.00           O  
HETATM    7  C   UNL     1       4.050  -0.020   0.200  1.00  0.00           C  
HETATM    8  C   UNL     1       2.815  -0.420  -0.262  1.00  0.00           C  
HETATM    9  C   UNL     1       4.203   1.198   0.850  1.00  0.00           C  
HETATM   10  C   UNL     1       3.132   2.024   1.037  1.00  0.00           C  
HETATM   11  C   UNL     1       1.870   1.641   0.571  1.00  0.00           C  
HETATM   12  C   UNL     1       0.549   2.263   0.603  1.00  0.00           C  
HETATM   13  C   UNL     1       1.709   0.404  -0.084  1.00  0.00           C  
HETATM   14  N   UNL     1       0.380   0.288  -0.430  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.310   1.404  -0.010  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.750   1.634  -0.200  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.344   2.813  -0.537  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.723   2.603  -0.617  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.983   1.324  -0.336  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.108   0.403  -0.223  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.762   0.685  -0.074  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.049  -1.008   0.303  1.00  0.00           S  
HETATM   23  C   UNL     1      -4.781  -0.830   0.102  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.773  -1.951   0.276  1.00  0.00           C  
HETATM   25  F   UNL     1      -6.677  -1.620   1.291  1.00  0.00           F  
HETATM   26  F   UNL     1      -6.469  -2.148  -0.922  1.00  0.00           F  
HETATM   27  H   UNL     1       8.216  -1.355   1.696  1.00  0.00           H  
HETATM   28  H   UNL     1       7.253  -2.570   0.822  1.00  0.00           H  
HETATM   29  H   UNL     1       7.957  -1.191  -0.057  1.00  0.00           H  
HETATM   30  H   UNL     1       5.791  -1.017   2.086  1.00  0.00           H  
HETATM   31  H   UNL     1       6.496   0.362   1.207  1.00  0.00           H  
HETATM   32  H   UNL     1       6.321   0.429  -1.291  1.00  0.00           H  
HETATM   33  H   UNL     1       6.730  -1.289  -1.513  1.00  0.00           H  
HETATM   34  H   UNL     1       5.371  -0.446  -3.408  1.00  0.00           H  
HETATM   35  H   UNL     1       4.490  -1.695  -2.496  1.00  0.00           H  
HETATM   36  H   UNL     1       4.081   0.023  -2.274  1.00  0.00           H  
HETATM   37  H   UNL     1       4.386  -2.561   0.813  1.00  0.00           H  
HETATM   38  H   UNL     1       2.707  -1.371  -0.763  1.00  0.00           H  
HETATM   39  H   UNL     1       5.177   1.494   1.210  1.00  0.00           H  
HETATM   40  H   UNL     1       3.258   2.969   1.543  1.00  0.00           H  
HETATM   41  H   UNL     1       0.301   3.223   1.032  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.012  -0.468  -0.894  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.887   3.655  -0.695  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.130   0.709  -0.392  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.245  -2.866   0.544  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    7    2    6    4                                       
CONECT    4    3    5   32   33                                       
CONECT    5    4   34   35   36                                       
CONECT    6    3   37                                                 
CONECT    7    8    8    9    3                                       
CONECT    8   13    7    7   38                                       
CONECT    9   10   10    7   39                                       
CONECT   10   11    9    9   40                                       
CONECT   11   12   13   13   10                                       
CONECT   12   15   15   11   41                                       
CONECT   13   14   11   11    8                                       
CONECT   14   15   13   42                                            
CONECT   15   16   12   12   14                                       
CONECT   16   21   21   17   15                                       
CONECT   17   18   16   43                                            
CONECT   18   19   19   17                                            
CONECT   19   20   18   18   21                                       
CONECT   20   23   23   19   44                                       
CONECT   21   19   22   16   16                                       
CONECT   22   23   21                                                 
CONECT   23   24   20   20   22                                       
CONECT   24   25   26   23   45                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
