COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.046   0.169   0.223  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.297   1.132   0.438  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.127   0.759  -2.103  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.776   0.063  -0.599  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.530   0.774  -2.754  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.346  -0.225   0.638  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.610  -0.075   1.795  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.298   0.363   1.737  1.00  0.00           C  
HETATM    9  C   UNL     1       1.750  -2.875  -0.085  1.00  0.00           C  
HETATM   10  C   UNL     1       2.132  -0.741   0.010  1.00  0.00           C  
HETATM   11  C   UNL     1       1.974  -4.286  -0.183  1.00  0.00           C  
HETATM   12  C   UNL     1       3.987   3.418  -0.239  1.00  0.00           C  
HETATM   13  C   UNL     1       6.319   0.656  -0.136  1.00  0.00           C  
HETATM   14  C   UNL     1       7.687   0.025  -0.156  1.00  0.00           C  
HETATM   15  C   UNL     1       5.109  -0.028  -0.018  1.00  0.00           C  
HETATM   16  C   UNL     1       4.096   0.906  -0.041  1.00  0.00           C  
HETATM   17  C   UNL     1       2.648   0.632   0.050  1.00  0.00           C  
HETATM   18  C   UNL     1       1.731   1.662   0.177  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.725   0.655   0.509  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.461   0.508  -0.645  1.00  0.00           C  
HETATM   21  C   UNL     1       0.537  -2.263   0.040  1.00  0.00           C  
HETATM   22  F   UNL     1      -3.580   0.507   2.872  1.00  0.00           F  
HETATM   23  N   UNL     1       4.683   2.131  -0.171  1.00  0.00           N  
HETATM   24  N   UNL     1       6.069   1.938  -0.221  1.00  0.00           N  
HETATM   25  N   UNL     1       0.429   1.392   0.257  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.403  -0.021   0.306  1.00  0.00           N  
HETATM   27  N   UNL     1       0.770  -0.920   0.100  1.00  0.00           N  
HETATM   28  N   UNL     1       2.703  -1.919  -0.101  1.00  0.00           N  
HETATM   29  N   UNL     1       2.151  -5.405  -0.260  1.00  0.00           N  
HETATM   30  O   UNL     1      -6.311  -0.024  -1.849  1.00  0.00           O  
HETATM   31  H   UNL     1      -2.176   1.787  -0.425  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.052   1.680   1.347  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.519  -0.050  -2.508  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.628   1.719  -2.230  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.920   1.791  -2.807  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.501   0.322  -3.746  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.369  -0.567   0.692  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.060  -0.300   2.751  1.00  0.00           H  
HETATM   39  H   UNL     1       3.718   3.740   0.767  1.00  0.00           H  
HETATM   40  H   UNL     1       4.641   4.161  -0.695  1.00  0.00           H  
HETATM   41  H   UNL     1       3.084   3.312  -0.840  1.00  0.00           H  
HETATM   42  H   UNL     1       7.964  -0.210  -1.184  1.00  0.00           H  
HETATM   43  H   UNL     1       8.414   0.719   0.267  1.00  0.00           H  
HETATM   44  H   UNL     1       7.674  -0.891   0.435  1.00  0.00           H  
HETATM   45  H   UNL     1       4.989  -1.097   0.074  1.00  0.00           H  
HETATM   46  H   UNL     1       2.072   2.687   0.210  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.426  -2.750   0.083  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.769  -0.918   0.278  1.00  0.00           H  
CONECT    1   26   27   25   25                                       
CONECT    2   19   26   31   32                                       
CONECT    3   20    5   33   34                                       
CONECT    4    6    6   20   30                                       
CONECT    5   30    3   35   36                                       
CONECT    6    7    4    4   37                                       
CONECT    7    8    8    6   38                                       
CONECT    8   22    7    7   19                                       
CONECT    9   21   21   11   28                                       
CONECT   10   27   28   28   17                                       
CONECT   11   29   29   29    9                                       
CONECT   12   23   39   40   41                                       
CONECT   13   15   24   24   14                                       
CONECT   14   13   42   43   44                                       
CONECT   15   16   16   13   45                                       
CONECT   16   17   23   15   15                                       
CONECT   17   10   18   18   16                                       
CONECT   18   25   17   17   46                                       
CONECT   19    8    2   20   20                                       
CONECT   20   19   19    4    3                                       
CONECT   21   27    9    9   47                                       
CONECT   22    8                                                      
CONECT   23   16   12   24                                            
CONECT   24   23   13   13                                            
CONECT   25    1    1   18                                            
CONECT   26    2    1   48                                            
CONECT   27   21    1   10                                            
CONECT   28    9   10   10                                            
CONECT   29   11   11   11                                            
CONECT   30    4    5                                                 
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   18                                                      
CONECT   47   21                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
