COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.990  -0.810  -0.034  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.074  -2.614   1.211  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.267  -0.882   0.490  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.301  -2.042   1.284  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.403   1.017  -0.213  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.473   0.231  -0.926  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.398  -0.086   0.376  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.482  -2.387   1.950  1.00  0.00           C  
HETATM    9  N   UNL     1       0.349   1.903  -0.895  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.555  -0.437   1.043  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.595  -1.586   1.827  1.00  0.00           C  
HETATM   12  C   UNL     1       3.421   3.950   1.035  1.00  0.00           C  
HETATM   13  C   UNL     1       6.048  -3.125  -1.980  1.00  0.00           C  
HETATM   14  C   UNL     1       6.542  -3.827  -0.953  1.00  0.00           C  
HETATM   15  C   UNL     1       0.885  -2.938   1.030  1.00  0.00           C  
HETATM   16  C   UNL     1       2.197  -3.232   0.735  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.612   1.169  -1.329  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.296  -1.891   0.442  1.00  0.00           C  
HETATM   19  F   UNL     1      -6.736  -1.919   2.470  1.00  0.00           F  
HETATM   20  F   UNL     1      -6.655   0.339   0.931  1.00  0.00           F  
HETATM   21  C   UNL     1       0.114  -2.202   0.127  1.00  0.00           C  
HETATM   22  C   UNL     1       2.757  -2.793  -0.467  1.00  0.00           C  
HETATM   23  C   UNL     1       4.165  -3.109  -0.784  1.00  0.00           C  
HETATM   24  N   UNL     1       4.794  -2.755  -1.869  1.00  0.00           N  
HETATM   25  S   UNL     1       5.267  -4.015   0.249  1.00  0.00           S  
HETATM   26  C   UNL     1       1.986  -2.057  -1.370  1.00  0.00           C  
HETATM   27  C   UNL     1       0.676  -1.758  -1.072  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.219   0.853   0.975  1.00  0.00           O  
HETATM   29  C   UNL     1       1.377   2.588  -0.249  1.00  0.00           C  
HETATM   30  C   UNL     1       2.095   1.965   0.768  1.00  0.00           C  
HETATM   31  C   UNL     1       3.111   2.638   1.408  1.00  0.00           C  
HETATM   32  C   UNL     1       4.512   4.672   1.715  1.00  0.00           C  
HETATM   33  O   UNL     1       5.209   4.070   2.699  1.00  0.00           O  
HETATM   34  O   UNL     1       4.784   5.810   1.387  1.00  0.00           O  
HETATM   35  C   UNL     1       2.698   4.573   0.014  1.00  0.00           C  
HETATM   36  C   UNL     1       1.684   3.893  -0.622  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.646   0.393  -2.147  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.786   1.331  -2.551  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.227   2.479  -3.393  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.193   3.255  -2.575  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.053   2.317  -2.171  1.00  0.00           C  
HETATM   42  H   UNL     1      -1.050  -0.232  -1.818  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.373   0.805  -0.233  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.520  -3.278   2.558  1.00  0.00           H  
HETATM   45  H   UNL     1       0.176   2.064  -1.836  1.00  0.00           H  
HETATM   46  H   UNL     1       6.645  -2.876  -2.845  1.00  0.00           H  
HETATM   47  H   UNL     1       7.548  -4.212  -0.875  1.00  0.00           H  
HETATM   48  H   UNL     1       0.450  -3.281   1.957  1.00  0.00           H  
HETATM   49  H   UNL     1       2.793  -3.801   1.433  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.086   1.571  -0.434  1.00  0.00           H  
HETATM   51  H   UNL     1       2.420  -1.717  -2.299  1.00  0.00           H  
HETATM   52  H   UNL     1       0.080  -1.189  -1.770  1.00  0.00           H  
HETATM   53  H   UNL     1       1.854   0.952   1.055  1.00  0.00           H  
HETATM   54  H   UNL     1       3.667   2.154   2.196  1.00  0.00           H  
HETATM   55  H   UNL     1       5.915   4.584   3.115  1.00  0.00           H  
HETATM   56  H   UNL     1       2.935   5.586  -0.276  1.00  0.00           H  
HETATM   57  H   UNL     1       1.125   4.374  -1.411  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.173  -0.010  -3.043  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.044  -0.426  -1.548  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.522   0.778  -3.134  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.259   1.733  -1.655  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.753   2.076  -4.288  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.038   3.147  -3.680  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.795   4.074  -3.175  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.666   3.658  -1.679  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.317   2.870  -1.588  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.580   1.914  -3.067  1.00  0.00           H  
CONECT    1   18    3    6                                            
CONECT    2    4   18   18                                            
CONECT    3    4    1    7    7                                       
CONECT    4    2    8    8    3                                       
CONECT    5    9    6   28   28                                       
CONECT    6    1    5   17   42                                       
CONECT    7    3    3   10   43                                       
CONECT    8    4    4   11   44                                       
CONECT    9   29    5   45                                            
CONECT   10   11   11    7   20                                       
CONECT   11    8   19   10   10                                       
CONECT   12   31   32   35   35                                       
CONECT   13   14   14   24   46                                       
CONECT   14   25   13   13   47                                       
CONECT   15   16   21   21   48                                       
CONECT   16   22   22   15   49                                       
CONECT   17    6   37   41   50                                       
CONECT   18    2    2   21    1                                       
CONECT   19   11                                                      
CONECT   20   10                                                      
CONECT   21   15   15   18   27                                       
CONECT   22   23   16   16   26                                       
CONECT   23   25   24   24   22                                       
CONECT   24   13   23   23                                            
CONECT   25   14   23                                                 
CONECT   26   22   27   27   51                                       
CONECT   27   26   26   21   52                                       
CONECT   28    5    5                                                 
CONECT   29   30    9   36   36                                       
CONECT   30   31   31   29   53                                       
CONECT   31   30   30   12   54                                       
CONECT   32   34   34   12   33                                       
CONECT   33   32   55                                                 
CONECT   34   32   32                                                 
CONECT   35   12   12   36   56                                       
CONECT   36   29   29   35   57                                       
CONECT   37   17   38   58   59                                       
CONECT   38   37   39   60   61                                       
CONECT   39   38   40   62   63                                       
CONECT   40   41   39   64   65                                       
CONECT   41   17   40   66   67                                       
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   33                                                      
CONECT   56   35                                                      
CONECT   57   36                                                      
CONECT   58   37                                                      
CONECT   59   37                                                      
CONECT   60   38                                                      
CONECT   61   38                                                      
CONECT   62   39                                                      
CONECT   63   39                                                      
CONECT   64   40                                                      
CONECT   65   40                                                      
CONECT   66   41                                                      
CONECT   67   41                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
