COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.725  -1.478  -0.119  1.00  0.00           C  
HETATM    2  C   UNL     1       5.159  -1.571  -0.184  1.00  0.00           C  
HETATM    3  C   UNL     1       6.317  -0.608  -0.228  1.00  0.00           C  
HETATM    4  C   UNL     1       6.810  -0.179  -1.453  1.00  0.00           C  
HETATM    5  C   UNL     1       7.866   0.699  -1.505  1.00  0.00           C  
HETATM    6  C   UNL     1       8.451   1.166  -0.323  1.00  0.00           C  
HETATM    7  C   UNL     1       9.664   2.141   1.672  1.00  0.00           C  
HETATM    8  C   UNL     1       8.689   1.326   2.021  1.00  0.00           C  
HETATM    9  C   UNL     1       7.957   0.736   0.912  1.00  0.00           C  
HETATM   10  C   UNL     1       6.868  -0.162   0.934  1.00  0.00           C  
HETATM   11  C   UNL     1       1.431  -0.707  -0.093  1.00  0.00           C  
HETATM   12  C   UNL     1       0.254  -1.684  -0.054  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.083  -1.776   0.116  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.939  -3.911   0.420  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.536  -2.244   0.335  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.330   0.820   0.122  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.679   0.518   0.247  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.619   1.532   0.207  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.214   2.846   0.041  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.240   3.950  -0.004  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.871   3.148  -0.084  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.928   2.139  -0.044  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.049  -0.026   0.058  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.451  -1.263   0.153  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.152  -0.131  -1.272  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.017   0.893  -1.348  1.00  0.00           C  
HETATM   27  C   UNL     1       1.327   0.159  -1.352  1.00  0.00           C  
HETATM   28  F   UNL     1      -9.933   1.240   0.329  1.00  0.00           F  
HETATM   29  N   UNL     1       3.901  -0.821  -0.159  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.008  -0.933  -0.050  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.917  -3.086   0.254  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.192  -3.539   0.465  1.00  0.00           N  
HETATM   33  N   UNL     1      -5.661  -1.564   0.337  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.375  -0.204   0.168  1.00  0.00           N  
HETATM   35  O   UNL     1       2.709  -2.691  -0.098  1.00  0.00           O  
HETATM   36  S   UNL     1       9.792   2.275  -0.071  1.00  0.00           S  
HETATM   37  H   UNL     1       5.184  -2.210  -1.067  1.00  0.00           H  
HETATM   38  H   UNL     1       5.233  -2.187   0.712  1.00  0.00           H  
HETATM   39  H   UNL     1       6.361  -0.537  -2.368  1.00  0.00           H  
HETATM   40  H   UNL     1       8.246   1.029  -2.460  1.00  0.00           H  
HETATM   41  H   UNL     1      10.302   2.661   2.371  1.00  0.00           H  
HETATM   42  H   UNL     1       8.451   1.112   3.053  1.00  0.00           H  
HETATM   43  H   UNL     1       6.472  -0.500   1.880  1.00  0.00           H  
HETATM   44  H   UNL     1       1.405  -0.069   0.790  1.00  0.00           H  
HETATM   45  H   UNL     1       0.289  -2.331  -0.930  1.00  0.00           H  
HETATM   46  H   UNL     1       0.317  -2.292   0.849  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.723  -4.963   0.529  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.995  -0.507   0.376  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.416   4.323   1.005  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.873   4.761  -0.632  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.172   3.563  -0.416  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.558   4.173  -0.213  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.879   2.376  -0.142  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.542   0.917  -0.081  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.109   0.390  -1.254  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.110  -0.785  -2.143  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.115   1.478  -2.262  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.067   1.557  -0.484  1.00  0.00           H  
HETATM   59  H   UNL     1       2.139   0.886  -1.362  1.00  0.00           H  
HETATM   60  H   UNL     1       1.393  -0.475  -2.236  1.00  0.00           H  
HETATM   61  H   UNL     1       3.914   0.149  -0.172  1.00  0.00           H  
CONECT    1   35   35   11   29                                       
CONECT    2   29    3   37   38                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    6   40                                       
CONECT    6    5    5    9   36                                       
CONECT    7   36    8    8   41                                       
CONECT    8    9    7    7   42                                       
CONECT    9   10   10    6    8                                       
CONECT   10    3    9    9   43                                       
CONECT   11    1   27   12   44                                       
CONECT   12   11   30   45   46                                       
CONECT   13   30   31   31   24                                       
CONECT   14   31   32   32   47                                       
CONECT   15   24   32   33   33                                       
CONECT   16   34   22   22   17                                       
CONECT   17   16   18   18   48                                       
CONECT   18   17   17   19   28                                       
CONECT   19   21   21   18   20                                       
CONECT   20   19   49   50   51                                       
CONECT   21   22   19   19   52                                       
CONECT   22   16   16   21   53                                       
CONECT   23   24   24   34   54                                       
CONECT   24   13   23   23   15                                       
CONECT   25   26   30   55   56                                       
CONECT   26   27   25   57   58                                       
CONECT   27   11   26   59   60                                       
CONECT   28   18                                                      
CONECT   29    1    2   61                                            
CONECT   30   12   25   13                                            
CONECT   31   13   13   14                                            
CONECT   32   14   14   15                                            
CONECT   33   15   15   34                                            
CONECT   34   23   33   16                                            
CONECT   35    1    1                                                 
CONECT   36    6    7                                                 
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
