COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.256   1.777  -1.808  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.648   2.944  -2.232  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.285   2.970  -2.463  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.530   1.828  -2.270  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.138   0.661  -1.846  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.501   0.634  -1.619  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.716  -0.630   0.076  1.00  0.00           S  
HETATM    8  O   UNL     1      -2.916  -1.923   0.128  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.773  -0.876   0.993  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.727   0.362   0.312  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.314  -0.583  -1.635  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.639  -1.609  -0.215  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.728  -1.242   0.765  1.00  0.00           C  
HETATM   14  C   UNL     1       0.576  -0.921   0.420  1.00  0.00           C  
HETATM   15  C   UNL     1       0.975  -0.965  -0.904  1.00  0.00           C  
HETATM   16  C   UNL     1       0.062  -1.333  -1.894  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.249  -1.651  -1.543  1.00  0.00           C  
HETATM   18  O   UNL     1       1.463  -0.562   1.385  1.00  0.00           O  
HETATM   19  C   UNL     1       0.484  -1.381  -3.310  1.00  0.00           C  
HETATM   20  C   UNL     1       0.763  -0.611   2.629  1.00  0.00           C  
HETATM   21  C   UNL     1       1.697  -0.222   3.746  1.00  0.00           C  
HETATM   22  N   UNL     1       1.252  -0.197   5.018  1.00  0.00           N  
HETATM   23  O   UNL     1       2.848   0.069   3.501  1.00  0.00           O  
HETATM   24  N   UNL     1       1.750  -1.068  -3.647  1.00  0.00           N  
HETATM   25  O   UNL     1      -0.312  -1.702  -4.171  1.00  0.00           O  
HETATM   26  C   UNL     1       2.168  -1.115  -5.051  1.00  0.00           C  
HETATM   27  C   UNL     1       2.697  -2.513  -5.379  1.00  0.00           C  
HETATM   28  C   UNL     1       1.609   0.471   9.904  1.00  0.00           C  
HETATM   29  C   UNL     1       2.358   0.524   8.571  1.00  0.00           C  
HETATM   30  C   UNL     1       1.410   0.128   7.437  1.00  0.00           C  
HETATM   31  C   UNL     1       2.160   0.181   6.104  1.00  0.00           C  
HETATM   32  N   UNL     1       1.837   0.816  12.318  1.00  0.00           N  
HETATM   33  C   UNL     1       2.557   0.866  11.038  1.00  0.00           C  
HETATM   34  C   UNL     1       3.389   0.494  -6.527  1.00  0.00           C  
HETATM   35  C   UNL     1       3.255  -0.098  -5.286  1.00  0.00           C  
HETATM   36  C   UNL     1       4.115   0.243  -4.259  1.00  0.00           C  
HETATM   37  C   UNL     1       5.116   1.171  -4.475  1.00  0.00           C  
HETATM   38  C   UNL     1       5.251   1.766  -5.718  1.00  0.00           C  
HETATM   39  C   UNL     1       4.386   1.427  -6.744  1.00  0.00           C  
HETATM   40  F   UNL     1       6.225   2.678  -5.928  1.00  0.00           F  
HETATM   41  H   UNL     1      -8.320   1.757  -1.627  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.238   3.836  -2.381  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.811   3.882  -2.794  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.466   1.848  -2.451  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.976  -0.277  -1.288  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.464  -0.575  -2.317  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.929  -1.462  -1.830  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.036  -1.207   1.800  1.00  0.00           H  
HETATM   49  H   UNL     1       1.990  -0.714  -1.172  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.959  -1.937  -2.306  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.077   0.081   2.601  1.00  0.00           H  
HETATM   52  H   UNL     1       0.395  -1.623   2.800  1.00  0.00           H  
HETATM   53  H   UNL     1       0.331  -0.429   5.215  1.00  0.00           H  
HETATM   54  H   UNL     1       2.386  -0.812  -2.961  1.00  0.00           H  
HETATM   55  H   UNL     1       1.315  -0.890  -5.691  1.00  0.00           H  
HETATM   56  H   UNL     1       3.550  -2.738  -4.738  1.00  0.00           H  
HETATM   57  H   UNL     1       1.911  -3.248  -5.209  1.00  0.00           H  
HETATM   58  H   UNL     1       3.008  -2.548  -6.423  1.00  0.00           H  
HETATM   59  H   UNL     1       0.768   1.164   9.876  1.00  0.00           H  
HETATM   60  H   UNL     1       1.241  -0.540  10.074  1.00  0.00           H  
HETATM   61  H   UNL     1       3.200  -0.168   8.600  1.00  0.00           H  
HETATM   62  H   UNL     1       2.726   1.535   8.401  1.00  0.00           H  
HETATM   63  H   UNL     1       0.569   0.821   7.409  1.00  0.00           H  
HETATM   64  H   UNL     1       1.042  -0.883   7.607  1.00  0.00           H  
HETATM   65  H   UNL     1       3.001  -0.511   6.133  1.00  0.00           H  
HETATM   66  H   UNL     1       2.528   1.193   5.934  1.00  0.00           H  
HETATM   67  H   UNL     1       2.498   1.083  13.033  1.00  0.00           H  
HETATM   68  H   UNL     1       1.136   1.541  12.285  1.00  0.00           H  
HETATM   69  H   UNL     1       3.398   0.174  11.067  1.00  0.00           H  
HETATM   70  H   UNL     1       2.925   1.878  10.868  1.00  0.00           H  
HETATM   71  H   UNL     1       2.714   0.230  -7.328  1.00  0.00           H  
HETATM   72  H   UNL     1       4.009  -0.220  -3.289  1.00  0.00           H  
HETATM   73  H   UNL     1       5.790   1.435  -3.673  1.00  0.00           H  
HETATM   74  H   UNL     1       4.490   1.890  -7.714  1.00  0.00           H  
CONECT    1    2    2    6   41                                       
CONECT    2    1    1    3   42                                       
CONECT    3    2    4    4   43                                       
CONECT    4    3    3    5   44                                       
CONECT    5    4    6    6   11                                       
CONECT    6    1    5    5   45                                       
CONECT    7    8    9    9   10                                       
CONECT    7   10   11                                                 
CONECT    8    7   12                                                 
CONECT    9    7    7                                                 
CONECT   10    7    7                                                 
CONECT   11    5    7   46   47                                       
CONECT   12    8   13   17   17                                       
CONECT   13   12   14   14   48                                       
CONECT   14   13   13   15   18                                       
CONECT   15   14   16   16   49                                       
CONECT   16   15   15   17   19                                       
CONECT   17   12   12   16   50                                       
CONECT   18   14   20                                                 
CONECT   19   16   24   25   25                                       
CONECT   20   18   21   51   52                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   31   53                                            
CONECT   23   21   21                                                 
CONECT   24   19   26   54                                            
CONECT   25   19   19                                                 
CONECT   26   24   27   35   55                                       
CONECT   27   26   56   57   58                                       
CONECT   28   29   33   59   60                                       
CONECT   29   28   30   61   62                                       
CONECT   30   29   31   63   64                                       
CONECT   31   22   30   65   66                                       
CONECT   32   33   67   68                                            
CONECT   33   28   32   69   70                                       
CONECT   34   35   35   39   71                                       
CONECT   35   26   34   34   36                                       
CONECT   36   35   37   37   72                                       
CONECT   37   36   36   38   73                                       
CONECT   38   37   39   39   40                                       
CONECT   39   34   38   38   74                                       
CONECT   40   38                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
