COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.433   0.440  -0.262  1.00  0.00           C  
HETATM    2  C   UNL     1       0.065   1.778  -0.240  1.00  0.00           C  
HETATM    3  C   UNL     1       1.015   2.759  -0.456  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.922  -0.185   0.205  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.822  -1.327  -0.193  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.136  -1.079  -0.553  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.964  -2.135  -0.926  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.468  -3.429  -0.933  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.156  -3.669  -0.571  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.334  -2.620  -0.203  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.109   0.116   1.669  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.830   1.232   2.051  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.997   1.500   3.403  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.430   0.631   4.322  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.722  -0.466   3.865  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.000  -0.225  -1.439  1.00  0.00           C  
HETATM   17  C   UNL     1       2.332   2.412  -0.695  1.00  0.00           C  
HETATM   18  C   UNL     1       2.707   1.082  -0.720  1.00  0.00           C  
HETATM   19  C   UNL     1       1.762   0.091  -0.499  1.00  0.00           C  
HETATM   20  N   UNL     1       2.141  -1.258  -0.518  1.00  0.00           N  
HETATM   21  S   UNL     1       3.535   3.669  -0.970  1.00  0.00           S  
HETATM   22  O   UNL     1       4.589   3.062  -1.705  1.00  0.00           O  
HETATM   23  O   UNL     1       2.825   4.811  -1.430  1.00  0.00           O  
HETATM   24  N   UNL     1       4.167   4.074   0.506  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.589  -0.692   2.573  1.00  0.00           N  
HETATM   26 CL   UNL     1      -3.517   2.287   0.855  1.00  0.00          Cl  
HETATM   27  N   UNL     1      -0.526  -0.555  -0.043  1.00  0.00           N  
HETATM   28  O   UNL     1      -4.851   0.082  -0.627  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.197  -1.637  -1.233  1.00  0.00           O  
HETATM   30  F   UNL     1      -7.117   0.495  -1.002  1.00  0.00           F  
HETATM   31  F   UNL     1      -5.737   0.043  -2.786  1.00  0.00           F  
HETATM   32  C   UNL     1       3.448  -1.612  -0.244  1.00  0.00           C  
HETATM   33  N   UNL     1       4.317  -0.689   0.157  1.00  0.00           N  
HETATM   34  C   UNL     1       5.574  -1.031   0.420  1.00  0.00           C  
HETATM   35  N   UNL     1       5.961  -2.296   0.283  1.00  0.00           N  
HETATM   36  C   UNL     1       5.093  -3.217  -0.117  1.00  0.00           C  
HETATM   37  N   UNL     1       3.836  -2.877  -0.375  1.00  0.00           N  
HETATM   38  O   UNL     1       5.488  -4.503  -0.258  1.00  0.00           O  
HETATM   39  C   UNL     1       6.854  -4.799   0.042  1.00  0.00           C  
HETATM   40  N   UNL     1       6.477  -0.074   0.836  1.00  0.00           N  
HETATM   41  H   UNL     1      -0.962   2.052  -0.053  1.00  0.00           H  
HETATM   42  H   UNL     1       0.727   3.800  -0.438  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.174   0.698  -0.383  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.108  -4.250  -1.222  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.771  -4.679  -0.576  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.308  -2.811   0.074  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.554   2.365   3.731  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.539   0.808   5.381  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.278  -1.147   4.575  1.00  0.00           H  
HETATM   50  H   UNL     1       3.736   0.814  -0.908  1.00  0.00           H  
HETATM   51  H   UNL     1       1.486  -1.943  -0.723  1.00  0.00           H  
HETATM   52  H   UNL     1       5.082   4.387   0.573  1.00  0.00           H  
HETATM   53  H   UNL     1       3.621   3.999   1.304  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.267  -1.490  -0.055  1.00  0.00           H  
HETATM   55  H   UNL     1       7.503  -4.220  -0.614  1.00  0.00           H  
HETATM   56  H   UNL     1       7.062  -4.540   1.080  1.00  0.00           H  
HETATM   57  H   UNL     1       7.037  -5.862  -0.111  1.00  0.00           H  
HETATM   58  H   UNL     1       6.194   0.849   0.936  1.00  0.00           H  
HETATM   59  H   UNL     1       7.394  -0.324   1.028  1.00  0.00           H  
CONECT    1    2   27   19   19                                       
CONECT    2    3    3    1   41                                       
CONECT    3    2    2   17   42                                       
CONECT    4    5   11   27   43                                       
CONECT    5    6    6   10    4                                       
CONECT    6    7   28    5    5                                       
CONECT    7   29    8    8    6                                       
CONECT    8    7    7    9   44                                       
CONECT    9    8   10   10   45                                       
CONECT   10    9    9    5   46                                       
CONECT   11    4   12   12   25                                       
CONECT   12   26   11   11   13                                       
CONECT   13   12   14   14   47                                       
CONECT   14   13   13   15   48                                       
CONECT   15   25   25   14   49                                       
CONECT   16   31   30   29   28                                       
CONECT   17    3   21   18   18                                       
CONECT   18   17   17   19   50                                       
CONECT   19    1    1   18   20                                       
CONECT   20   19   32   51                                            
CONECT   21   24   22   22   17                                       
CONECT   21   23   23                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   52   53                                            
CONECT   25   11   15   15                                            
CONECT   26   12                                                      
CONECT   27    4    1   54                                            
CONECT   28   16    6                                                 
CONECT   29   16    7                                                 
CONECT   30   16                                                      
CONECT   31   16                                                      
CONECT   32   20   37   37   33                                       
CONECT   33   32   34   34                                            
CONECT   34   33   33   35   40                                       
CONECT   35   36   36   34                                            
CONECT   36   37   38   35   35                                       
CONECT   37   32   32   36                                            
CONECT   38   39   36                                                 
CONECT   39   38   55   56   57                                       
CONECT   40   34   58   59                                            
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   39                                                      
CONECT   56   39                                                      
CONECT   57   39                                                      
CONECT   58   40                                                      
CONECT   59   40                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
