COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.438  -4.980   1.249  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.017  -4.162   2.347  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.192  -2.998   1.796  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.417  -4.347   0.424  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.952  -2.975   0.022  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.929  -2.346   0.655  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.561  -1.120   0.262  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.157  -0.507  -0.725  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.174  -1.081  -1.397  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.596  -2.315  -1.048  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.698   0.873  -1.120  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.591   1.286  -0.255  1.00  0.00           N  
HETATM   13  O   UNL     1      -6.515  -2.850  -1.646  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.320   1.008  -0.607  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.094   0.415  -1.641  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.181   1.433   0.283  1.00  0.00           C  
HETATM   17  N   UNL     1       1.092   1.015  -0.318  1.00  0.00           N  
HETATM   18  C   UNL     1       1.201  -0.449  -0.358  1.00  0.00           C  
HETATM   19  C   UNL     1       2.467  -0.848  -1.119  1.00  0.00           C  
HETATM   20  C   UNL     1       3.688  -0.246  -0.418  1.00  0.00           C  
HETATM   21  C   UNL     1       3.528   1.275  -0.347  1.00  0.00           C  
HETATM   22  C   UNL     1       2.231   1.612   0.392  1.00  0.00           C  
HETATM   23  C   UNL     1       4.934  -0.585  -1.196  1.00  0.00           C  
HETATM   24  O   UNL     1       4.876  -0.733  -2.399  1.00  0.00           O  
HETATM   25  C   UNL     1       6.219  -0.736  -0.498  1.00  0.00           C  
HETATM   26  C   UNL     1       7.377  -1.051  -1.218  1.00  0.00           C  
HETATM   27  C   UNL     1       8.640  -1.021   0.818  1.00  0.00           C  
HETATM   28  C   UNL     1       7.497  -0.703   1.536  1.00  0.00           C  
HETATM   29  C   UNL     1       8.577  -1.191  -0.557  1.00  0.00           C  
HETATM   30  C   UNL     1       6.290  -0.560   0.888  1.00  0.00           C  
HETATM   31  F   UNL     1       9.821  -1.160   1.460  1.00  0.00           F  
HETATM   32  C   UNL     1      -2.865   2.001   0.994  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.880   3.485   0.730  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.957   4.195   0.393  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.728   5.547   0.201  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.465   5.934   0.381  1.00  0.00           C  
HETATM   37  S   UNL     1      -1.480   4.546   0.826  1.00  0.00           S  
HETATM   38  H   UNL     1      -4.891  -3.776   2.872  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.409  -4.754   3.032  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.027  -2.265   2.586  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.231  -3.370   1.441  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.580  -4.949  -0.469  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.353  -4.260   0.977  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.602  -0.610  -2.129  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.364   0.861  -2.157  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.525   1.575  -1.013  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.192   2.517   0.395  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.291   0.965   1.262  1.00  0.00           H  
HETATM   49  H   UNL     1       1.251  -0.837   0.659  1.00  0.00           H  
HETATM   50  H   UNL     1       0.328  -0.864  -0.863  1.00  0.00           H  
HETATM   51  H   UNL     1       2.556  -1.934  -1.135  1.00  0.00           H  
HETATM   52  H   UNL     1       2.412  -0.471  -2.141  1.00  0.00           H  
HETATM   53  H   UNL     1       3.766  -0.652   0.590  1.00  0.00           H  
HETATM   54  H   UNL     1       4.374   1.706   0.189  1.00  0.00           H  
HETATM   55  H   UNL     1       3.490   1.685  -1.356  1.00  0.00           H  
HETATM   56  H   UNL     1       2.106   2.695   0.432  1.00  0.00           H  
HETATM   57  H   UNL     1       2.276   1.214   1.405  1.00  0.00           H  
HETATM   58  H   UNL     1       7.329  -1.184  -2.289  1.00  0.00           H  
HETATM   59  H   UNL     1       7.552  -0.573   2.607  1.00  0.00           H  
HETATM   60  H   UNL     1       9.472  -1.434  -1.112  1.00  0.00           H  
HETATM   61  H   UNL     1       5.400  -0.312   1.449  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.834   1.692   1.385  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.088   1.770   1.723  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.934   3.750   0.279  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.513   6.235  -0.075  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.102   6.946   0.274  1.00  0.00           H  
CONECT    1    2    4                                                 
CONECT    2    3    1   38   39                                       
CONECT    3    2    6   40   41                                       
CONECT    4    1    5   42   43                                       
CONECT    5    6    6    4   10                                       
CONECT    6    3    7    5    5                                       
CONECT    7    6    8    8                                            
CONECT    8    7    7   11    9                                       
CONECT    9    8   10   44                                            
CONECT   10    5    9   13   13                                       
CONECT   11   12    8   45   46                                       
CONECT   12   32   14   11                                            
CONECT   13   10   10                                                 
CONECT   14   16   12   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   47   48                                       
CONECT   17   16   18   22                                            
CONECT   18   17   19   49   50                                       
CONECT   19   18   20   51   52                                       
CONECT   20   19   21   23   53                                       
CONECT   21   22   20   54   55                                       
CONECT   22   17   21   56   57                                       
CONECT   23   20   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   30   30   26                                       
CONECT   26   25   29   29   58                                       
CONECT   27   28   28   29   31                                       
CONECT   28   30   27   27   59                                       
CONECT   29   26   26   27   60                                       
CONECT   30   25   25   28   61                                       
CONECT   31   27                                                      
CONECT   32   33   12   62   63                                       
CONECT   33   34   34   32   37                                       
CONECT   34   35   33   33   64                                       
CONECT   35   34   36   36   65                                       
CONECT   36   35   35   37   66                                       
CONECT   37   33   36                                                 
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
