COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.746   2.908   1.310  1.00  0.00           C  
HETATM    2  C   UNL     1       4.102   3.165  -0.004  1.00  0.00           C  
HETATM    3  C   UNL     1       4.137   2.140  -0.924  1.00  0.00           C  
HETATM    4  C   UNL     1       3.464   1.610   1.685  1.00  0.00           C  
HETATM    5  F   UNL     1       4.416   4.423  -0.384  1.00  0.00           F  
HETATM    6  C   UNL     1       3.840   0.824  -0.558  1.00  0.00           C  
HETATM    7  C   UNL     1       3.547   0.580   0.766  1.00  0.00           C  
HETATM    8  S   UNL     1       3.348  -1.078   1.330  1.00  0.00           S  
HETATM    9  C   UNL     1       3.835  -0.163  -1.705  1.00  0.00           C  
HETATM   10  N   UNL     1       2.364  -1.820   0.217  1.00  0.00           N  
HETATM   11  C   UNL     1       4.239  -1.576  -1.304  1.00  0.00           C  
HETATM   12  C   UNL     1       2.990  -2.404  -0.936  1.00  0.00           C  
HETATM   13  C   UNL     1       4.966  -2.247  -2.471  1.00  0.00           C  
HETATM   14  C   UNL     1       0.913  -1.876   0.403  1.00  0.00           C  
HETATM   15  O   UNL     1       2.610  -1.009   2.542  1.00  0.00           O  
HETATM   16  O   UNL     1       4.622  -1.699   1.224  1.00  0.00           O  
HETATM   17  C   UNL     1       0.257  -0.715  -0.346  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.245  -0.700  -0.050  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.853   0.480  -0.670  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.889  -1.965  -0.620  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.342  -2.010  -0.223  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.300  -1.434  -1.038  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.633  -1.476  -0.673  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.008  -2.093   0.505  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.051  -2.669   1.319  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.719  -2.633   0.952  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.994   0.992  -0.168  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.519   0.475   0.798  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.553   2.076  -0.738  1.00  0.00           O  
HETATM   30  O   UNL     1       0.463  -0.876  -1.750  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.782   2.573  -0.145  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.853   1.481  -0.201  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.525   2.961   1.312  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.264   3.800  -0.922  1.00  0.00           C  
HETATM   35  H   UNL     1       3.694   3.711   2.030  1.00  0.00           H  
HETATM   36  H   UNL     1       4.398   2.358  -1.949  1.00  0.00           H  
HETATM   37  H   UNL     1       3.176   1.398   2.704  1.00  0.00           H  
HETATM   38  H   UNL     1       2.833  -0.196  -2.132  1.00  0.00           H  
HETATM   39  H   UNL     1       4.524   0.191  -2.472  1.00  0.00           H  
HETATM   40  H   UNL     1       4.905  -1.530  -0.442  1.00  0.00           H  
HETATM   41  H   UNL     1       3.284  -3.430  -0.710  1.00  0.00           H  
HETATM   42  H   UNL     1       2.292  -2.399  -1.772  1.00  0.00           H  
HETATM   43  H   UNL     1       5.856  -1.671  -2.724  1.00  0.00           H  
HETATM   44  H   UNL     1       5.256  -3.258  -2.186  1.00  0.00           H  
HETATM   45  H   UNL     1       4.303  -2.289  -3.336  1.00  0.00           H  
HETATM   46  H   UNL     1       0.532  -2.820   0.014  1.00  0.00           H  
HETATM   47  H   UNL     1       0.680  -1.801   1.466  1.00  0.00           H  
HETATM   48  H   UNL     1       0.701   0.226  -0.019  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.402  -0.666   1.028  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.434   0.893  -1.441  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.810  -1.955  -1.707  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.377  -2.842  -0.226  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.006  -0.951  -1.958  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.380  -1.025  -1.309  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.050  -2.125   0.790  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.345  -3.151   2.240  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.971  -3.083   1.588  1.00  0.00           H  
HETATM   58  H   UNL     1       0.094  -1.694  -2.111  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.510   0.607   0.352  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.775   1.854   0.244  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.036   1.205  -1.240  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.763   3.738   1.352  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.448   3.333   1.757  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.182   2.086   1.866  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.447   3.523  -1.960  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.187   4.172  -0.477  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.501   4.577  -0.882  1.00  0.00           H  
CONECT    1    4    4    2   35                                       
CONECT    2    1    5    3    3                                       
CONECT    3    2    2    6   36                                       
CONECT    4    1    1    7   37                                       
CONECT    5    2                                                      
CONECT    6    3    7    7    9                                       
CONECT    7    4    6    6    8                                       
CONECT    8    7   16   16   10                                       
CONECT    8   15   15                                                 
CONECT    9    6   11   38   39                                       
CONECT   10    8   14   12                                            
CONECT   11    9   12   13   40                                       
CONECT   12   10   11   41   42                                       
CONECT   13   11   43   44   45                                       
CONECT   14   10   17   46   47                                       
CONECT   15    8    8                                                 
CONECT   16    8    8                                                 
CONECT   17   14   30   18   48                                       
CONECT   18   17   20   19   49                                       
CONECT   19   18   27   50                                            
CONECT   20   18   21   51   52                                       
CONECT   21   20   26   26   22                                       
CONECT   22   21   23   23   53                                       
CONECT   23   22   22   24   54                                       
CONECT   24   23   25   25   55                                       
CONECT   25   24   24   26   56                                       
CONECT   26   21   21   25   57                                       
CONECT   27   19   29   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   27   31                                                 
CONECT   30   17   58                                                 
CONECT   31   29   33   34   32                                       
CONECT   32   31   59   60   61                                       
CONECT   33   31   62   63   64                                       
CONECT   34   31   65   66   67                                       
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   30                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
