COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.382   0.049   0.070  1.00  0.00           C  
HETATM    2  C   UNL     1       1.926  -1.738  -0.456  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.635   0.845   0.056  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.527   0.784   1.130  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.875  -0.708  -2.395  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.681   1.545   1.068  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.912   2.335  -0.044  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.937   1.669  -1.026  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.291  -1.238  -1.047  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.504  -2.122  -0.382  1.00  0.00           C  
HETATM   11  C   UNL     1       0.798  -2.586  -0.984  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.049  -2.193   1.393  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.999  -0.767   1.052  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.832  -1.321   0.745  1.00  0.00           C  
HETATM   15  N   UNL     1      -7.051   2.372  -1.042  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.052  -3.580   1.619  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.915  -2.598   0.869  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.476   0.035  -0.889  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.460  -0.837  -0.479  1.00  0.00           N  
HETATM   20  O   UNL     1       1.696  -0.844   0.332  1.00  0.00           O  
HETATM   21  N   UNL     1       3.191  -1.972  -0.858  1.00  0.00           N  
HETATM   22  C   UNL     1       4.222  -1.117  -0.456  1.00  0.00           C  
HETATM   23  C   UNL     1       5.499  -1.620  -0.240  1.00  0.00           C  
HETATM   24  C   UNL     1       6.516  -0.772   0.152  1.00  0.00           C  
HETATM   25  C   UNL     1       6.265   0.576   0.330  1.00  0.00           C  
HETATM   26  C   UNL     1       4.995   1.080   0.117  1.00  0.00           C  
HETATM   27  C   UNL     1       4.726   2.550   0.312  1.00  0.00           C  
HETATM   28  F   UNL     1       5.905   3.191   0.707  1.00  0.00           F  
HETATM   29  F   UNL     1       4.272   3.105  -0.889  1.00  0.00           F  
HETATM   30  F   UNL     1       3.751   2.718   1.301  1.00  0.00           F  
HETATM   31  C   UNL     1       3.974   0.238  -0.276  1.00  0.00           C  
HETATM   32  H   UNL     1      -6.321   0.158   1.985  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.633  -0.016  -2.763  1.00  0.00           H  
HETATM   34  H   UNL     1       0.078  -0.188  -2.303  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.770  -1.537  -3.095  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.394   1.523   1.879  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.812   2.930  -0.095  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.254   1.728  -1.861  1.00  0.00           H  
HETATM   39  H   UNL     1       0.750  -2.493  -2.069  1.00  0.00           H  
HETATM   40  H   UNL     1       0.971  -3.628  -0.716  1.00  0.00           H  
HETATM   41  H   UNL     1       0.646  -3.038   2.256  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.682  -4.222   2.234  1.00  0.00           H  
HETATM   43  H   UNL     1       0.505  -4.191   0.908  1.00  0.00           H  
HETATM   44  H   UNL     1       3.386  -2.733  -1.427  1.00  0.00           H  
HETATM   45  H   UNL     1       5.695  -2.673  -0.378  1.00  0.00           H  
HETATM   46  H   UNL     1       7.509  -1.163   0.320  1.00  0.00           H  
HETATM   47  H   UNL     1       7.063   1.237   0.637  1.00  0.00           H  
HETATM   48  H   UNL     1       2.983   0.633  -0.447  1.00  0.00           H  
CONECT    1   18   18   13    3                                       
CONECT    2   21   20   20   11                                       
CONECT    3    1    8    8    4                                       
CONECT    4    3    6    6   32                                       
CONECT    5    9   33   34   35                                       
CONECT    6    4    4    7   36                                       
CONECT    7   15   15    6   37                                       
CONECT    8    3    3   15   38                                       
CONECT    9   10   10    5   19                                       
CONECT   10   11   17    9    9                                       
CONECT   11    2   10   39   40                                       
CONECT   12   17   17   14                                            
CONECT   13   14   14    1                                            
CONECT   14   12   19   13   13                                       
CONECT   15    8    7    7                                            
CONECT   16   17   41   42   43                                       
CONECT   17   16   10   12   12                                       
CONECT   18   19    1    1                                            
CONECT   19    9   14   18                                            
CONECT   20    2    2                                                 
CONECT   21   22    2   44                                            
CONECT   22   23   23   31   21                                       
CONECT   23   24   22   22   45                                       
CONECT   24   25   25   23   46                                       
CONECT   25   24   24   26   47                                       
CONECT   26   25   27   31   31                                       
CONECT   27   29   26   28   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   26   26   22   48                                       
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   31                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
