COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.817   4.882   0.459  1.00  0.00           C  
HETATM    2  C   UNL     1       0.231   4.034   0.162  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.114   4.408   0.476  1.00  0.00           C  
HETATM    4  C   UNL     1       3.297   0.291  -1.518  1.00  0.00           C  
HETATM    5  C   UNL     1       4.358  -0.570  -1.723  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.824   3.450   0.409  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.107   2.983   0.426  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.322   2.206  -0.108  1.00  0.00           C  
HETATM    9  C   UNL     1       4.649   1.588  -0.012  1.00  0.00           C  
HETATM   10  C   UNL     1       8.144  -3.926   0.980  1.00  0.00           C  
HETATM   11  C   UNL     1       5.728  -4.039   1.078  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.832  -4.371   0.949  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.391  -4.893  -0.420  1.00  0.00           C  
HETATM   14  C   UNL     1       8.052  -3.014  -0.245  1.00  0.00           C  
HETATM   15  C   UNL     1       5.636  -3.127  -0.147  1.00  0.00           C  
HETATM   16  C   UNL     1       6.716  -1.294  -1.304  1.00  0.00           C  
HETATM   17  N   UNL     1      -7.504   0.933   0.223  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.997   1.269   0.029  1.00  0.00           N  
HETATM   19  N   UNL     1       6.974  -4.815   1.015  1.00  0.00           N  
HETATM   20  N   UNL     1       2.371   2.252  -0.457  1.00  0.00           N  
HETATM   21  N   UNL     1      -8.576  -1.170   0.013  1.00  0.00           N  
HETATM   22  O   UNL     1       0.891   0.612  -0.691  1.00  0.00           O  
HETATM   23  O   UNL     1      -7.312  -2.967  -0.291  1.00  0.00           O  
HETATM   24  C   UNL     1       1.107   1.782  -0.442  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.423  -2.497  -0.166  1.00  0.00           C  
HETATM   26  C   UNL     1       3.441   1.376  -0.663  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.015   2.690  -0.124  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.374   3.068   0.187  1.00  0.00           C  
HETATM   29  C   UNL     1       5.561  -0.352  -1.078  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.767   2.560   0.206  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.465  -0.344   0.056  1.00  0.00           C  
HETATM   32  C   UNL     1       5.707   0.727  -0.226  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.337   1.601   0.242  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.227   0.769   0.049  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.631  -3.395  -0.213  1.00  0.00           C  
HETATM   36  C   UNL     1       7.021   0.960   0.475  1.00  0.00           C  
HETATM   37  N   UNL     1       6.806  -2.238  -0.182  1.00  0.00           N  
HETATM   38  S   UNL     1      -5.806  -0.884  -0.155  1.00  0.00           S  
HETATM   39  F   UNL     1       6.926   2.103   1.276  1.00  0.00           F  
HETATM   40  F   UNL     1       7.326  -0.146   1.275  1.00  0.00           F  
HETATM   41  F   UNL     1       8.031   1.140  -0.476  1.00  0.00           F  
HETATM   42  H   UNL     1      -0.622   5.921   0.684  1.00  0.00           H  
HETATM   43  H   UNL     1       1.243   4.411   0.151  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.929   5.075   0.713  1.00  0.00           H  
HETATM   45  H   UNL     1       2.358   0.123  -2.025  1.00  0.00           H  
HETATM   46  H   UNL     1       4.246  -1.414  -2.387  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.628   4.503   0.548  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.934   3.661   0.579  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.519   1.168  -0.333  1.00  0.00           H  
HETATM   50  H   UNL     1       4.765   2.431   0.653  1.00  0.00           H  
HETATM   51  H   UNL     1       9.054  -4.524   0.921  1.00  0.00           H  
HETATM   52  H   UNL     1       8.167  -3.318   1.885  1.00  0.00           H  
HETATM   53  H   UNL     1       5.723  -3.432   1.984  1.00  0.00           H  
HETATM   54  H   UNL     1       4.876  -4.718   1.091  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.856  -4.578   1.260  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.090  -4.362   1.747  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.359  -5.228  -0.522  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.125  -5.444  -1.009  1.00  0.00           H  
HETATM   59  H   UNL     1       8.904  -2.334  -0.258  1.00  0.00           H  
HETATM   60  H   UNL     1       8.057  -3.620  -1.151  1.00  0.00           H  
HETATM   61  H   UNL     1       5.614  -3.734  -1.052  1.00  0.00           H  
HETATM   62  H   UNL     1       4.726  -2.529  -0.088  1.00  0.00           H  
HETATM   63  H   UNL     1       6.559  -1.845  -2.231  1.00  0.00           H  
HETATM   64  H   UNL     1       7.642  -0.723  -1.374  1.00  0.00           H  
HETATM   65  H   UNL     1       6.971  -5.440   0.223  1.00  0.00           H  
HETATM   66  H   UNL     1       2.537   3.199  -0.325  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.464  -0.793   0.113  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.523  -2.961  -0.666  1.00  0.00           H  
CONECT    1    2    3    3   42                                       
CONECT    2   27   27    1   43                                       
CONECT    3    1    1   28   44                                       
CONECT    4    5   26   26   45                                       
CONECT    5   29   29    4   46                                       
CONECT    6   30    7    7   47                                       
CONECT    7    6    6   33   48                                       
CONECT    8   27   28   28   49                                       
CONECT    9   32   32   26   50                                       
CONECT   10   19   14   51   52                                       
CONECT   11   19   15   53   54                                       
CONECT   12   13   35   55   56                                       
CONECT   13   35   12   57   58                                       
CONECT   14   10   37   59   60                                       
CONECT   15   11   37   61   62                                       
CONECT   16   37   29   63   64                                       
CONECT   17   33   31   31                                            
CONECT   18   30   30   34                                            
CONECT   19   10   11   65                                            
CONECT   20   26   24   66                                            
CONECT   21   25   31   67                                            
CONECT   22   24   24                                                 
CONECT   23   25   25                                                 
CONECT   24   20   22   22   27                                       
CONECT   25   23   23   21   35                                       
CONECT   26    4    4    9   20                                       
CONECT   27   24    2    2    8                                       
CONECT   28    8    8    3   30                                       
CONECT   29   16    5    5   32                                       
CONECT   30   28   18   18    6                                       
CONECT   31   38   17   17   21                                       
CONECT   32   29   36    9    9                                       
CONECT   33   34   34    7   17                                       
CONECT   34   18   38   33   33                                       
CONECT   35   25   13   12   68                                       
CONECT   36   40   32   39   41                                       
CONECT   37   14   15   16                                            
CONECT   38   34   31                                                 
CONECT   39   36                                                      
CONECT   40   36                                                      
CONECT   41   36                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   35                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
