COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.865  -0.021  -2.158  1.00  0.00           O  
HETATM    2  C   UNL     1       3.670   0.026  -0.957  1.00  0.00           C  
HETATM    3  N   UNL     1       4.201  -0.914  -0.151  1.00  0.00           N  
HETATM    4  C   UNL     1       2.862   1.110  -0.388  1.00  0.00           C  
HETATM    5  C   UNL     1       3.421   2.375   0.052  1.00  0.00           C  
HETATM    6  C   UNL     1       4.899   2.725  -0.023  1.00  0.00           C  
HETATM    7  C   UNL     1       2.489   3.204   0.535  1.00  0.00           C  
HETATM    8  C   UNL     1       2.775   4.595   1.067  1.00  0.00           C  
HETATM    9  C   UNL     1       4.275   4.716   1.347  1.00  0.00           C  
HETATM   10  C   UNL     1       5.053   4.241   0.116  1.00  0.00           C  
HETATM   11  S   UNL     1       0.899   2.463   0.465  1.00  0.00           S  
HETATM   12  C   UNL     1       1.507   1.030  -0.225  1.00  0.00           C  
HETATM   13  N   UNL     1       0.735  -0.068  -0.571  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.597  -0.046  -0.368  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.121   0.935   0.117  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.437  -1.240  -0.744  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.841  -0.969  -0.427  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.784  -0.383  -1.286  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.927  -0.306  -0.650  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.211   0.258  -1.201  1.00  0.00           C  
HETATM   21  F   UNL     1      -7.227  -0.697  -1.087  1.00  0.00           F  
HETATM   22  F   UNL     1      -6.564   1.404  -0.481  1.00  0.00           F  
HETATM   23  F   UNL     1      -6.033   0.590  -2.549  1.00  0.00           F  
HETATM   24  C   UNL     1      -3.457  -1.241   0.735  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.748  -0.837   0.626  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.773  -0.974   1.724  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.870  -1.874   1.972  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.814  -1.602   3.149  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.245  -1.980   2.755  1.00  0.00           C  
HETATM   30  C   UNL     1       5.013  -1.992  -0.719  1.00  0.00           C  
HETATM   31  C   UNL     1       5.490  -2.917   0.403  1.00  0.00           C  
HETATM   32  N   UNL     1       6.304  -3.999  -0.167  1.00  0.00           N  
HETATM   33  C   UNL     1       6.974  -4.767   0.891  1.00  0.00           C  
HETATM   34  C   UNL     1       5.492  -4.876  -1.020  1.00  0.00           C  
HETATM   35  H   UNL     1       4.045  -0.876   0.806  1.00  0.00           H  
HETATM   36  H   UNL     1       5.434   2.228   0.787  1.00  0.00           H  
HETATM   37  H   UNL     1       5.303   2.403  -0.982  1.00  0.00           H  
HETATM   38  H   UNL     1       2.480   5.338   0.326  1.00  0.00           H  
HETATM   39  H   UNL     1       2.215   4.756   1.989  1.00  0.00           H  
HETATM   40  H   UNL     1       4.524   5.756   1.556  1.00  0.00           H  
HETATM   41  H   UNL     1       4.538   4.097   2.204  1.00  0.00           H  
HETATM   42  H   UNL     1       6.107   4.491   0.233  1.00  0.00           H  
HETATM   43  H   UNL     1       4.658   4.731  -0.774  1.00  0.00           H  
HETATM   44  H   UNL     1       1.153  -0.853  -0.959  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.336  -1.433  -1.812  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.100  -2.112  -0.184  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.931  -0.007   2.202  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.713  -1.336   1.306  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.770  -2.949   1.821  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.892  -1.439   2.178  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.504  -2.197   4.008  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.777  -0.544   3.408  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.882  -1.962   3.639  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.251  -2.981   2.324  1.00  0.00           H  
HETATM   55  H   UNL     1       4.414  -2.563  -1.429  1.00  0.00           H  
HETATM   56  H   UNL     1       5.876  -1.567  -1.231  1.00  0.00           H  
HETATM   57  H   UNL     1       6.089  -2.347   1.113  1.00  0.00           H  
HETATM   58  H   UNL     1       4.627  -3.342   0.915  1.00  0.00           H  
HETATM   59  H   UNL     1       6.226  -5.204   1.552  1.00  0.00           H  
HETATM   60  H   UNL     1       7.570  -5.561   0.442  1.00  0.00           H  
HETATM   61  H   UNL     1       7.624  -4.105   1.464  1.00  0.00           H  
HETATM   62  H   UNL     1       5.063  -4.293  -1.836  1.00  0.00           H  
HETATM   63  H   UNL     1       6.119  -5.668  -1.429  1.00  0.00           H  
HETATM   64  H   UNL     1       4.689  -5.317  -0.428  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   30   35                                            
CONECT    4    2   12   12    5                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   10   36   37                                       
CONECT    7    5    5   11    8                                       
CONECT    8    7    9   38   39                                       
CONECT    9    8   10   40   41                                       
CONECT   10    6    9   42   43                                       
CONECT   11    7   12                                                 
CONECT   12    4    4   11   13                                       
CONECT   13   12   14   44                                            
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   45   46                                       
CONECT   17   16   24   18                                            
CONECT   18   17   19   19                                            
CONECT   19   18   18   25   20                                       
CONECT   20   19   21   23   22                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24   17   27   25   25                                       
CONECT   25   19   24   24   26                                       
CONECT   26   25   29   47   48                                       
CONECT   27   24   28   49   50                                       
CONECT   28   27   29   51   52                                       
CONECT   29   26   28   53   54                                       
CONECT   30    3   31   55   56                                       
CONECT   31   30   32   57   58                                       
CONECT   32   31   34   33                                            
CONECT   33   32   59   60   61                                       
CONECT   34   32   62   63   64                                       
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
