COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.953  -1.356  -0.584  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.704   3.418  -2.163  1.00  0.00           N  
HETATM    3  C   UNL     1       3.718  -2.249  -0.907  1.00  0.00           C  
HETATM    4  C   UNL     1       2.513  -1.664  -1.647  1.00  0.00           C  
HETATM    5  C   UNL     1       0.179  -1.292  -1.312  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.228  -0.943  -1.174  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.791  -2.086  -2.022  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.676  -0.539  -3.773  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.245   0.468   0.711  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.141   2.883   0.077  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.926   4.148  -1.803  1.00  0.00           C  
HETATM   12  C   UNL     1       3.984  -0.013   0.380  1.00  0.00           C  
HETATM   13  C   UNL     1       5.365   0.510   0.081  1.00  0.00           C  
HETATM   14  C   UNL     1       6.273   0.690   1.108  1.00  0.00           C  
HETATM   15  C   UNL     1       9.753   1.489   0.777  1.00  0.00           C  
HETATM   16  C   UNL     1       6.990   1.283  -1.501  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.245   2.695  -1.127  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.186  -0.690   1.048  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.964   4.152  -0.259  1.00  0.00           C  
HETATM   20  C   UNL     1       3.405  -3.682  -0.425  1.00  0.00           C  
HETATM   21  O   UNL     1       4.509  -1.907   2.477  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.204  -0.604  -0.077  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.707  -2.793  -3.462  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.052  -1.610  -2.747  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.338   0.064  -0.366  1.00  0.00           N  
HETATM   26  C   UNL     1       4.158  -3.732   0.925  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.066   1.678   0.259  1.00  0.00           C  
HETATM   28  C   UNL     1       4.246  -2.284   1.354  1.00  0.00           C  
HETATM   29  C   UNL     1       7.906   1.461  -0.477  1.00  0.00           C  
HETATM   30  N   UNL     1       3.990  -1.476   0.311  1.00  0.00           N  
HETATM   31  C   UNL     1       5.724   0.804  -1.222  1.00  0.00           C  
HETATM   32  C   UNL     1       7.545   1.166   0.835  1.00  0.00           C  
HETATM   33  O   UNL     1       1.333  -1.765  -0.806  1.00  0.00           O  
HETATM   34  O   UNL     1       0.158  -0.808  -2.427  1.00  0.00           O  
HETATM   35  F   UNL     1      10.673   2.434   1.244  1.00  0.00           F  
HETATM   36  F   UNL     1      10.356   0.232   0.660  1.00  0.00           F  
HETATM   37  O   UNL     1      -3.256   1.993  -1.155  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.417  -1.858   1.342  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.968  -0.931   1.067  1.00  0.00           O  
HETATM   40  O   UNL     1       8.609   1.422   1.649  1.00  0.00           O  
HETATM   41  O   UNL     1       9.198   1.904  -0.484  1.00  0.00           O  
HETATM   42  H   UNL     1      -0.924  -1.679   0.330  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.285   3.451  -3.037  1.00  0.00           H  
HETATM   44  H   UNL     1       4.593  -2.252  -1.557  1.00  0.00           H  
HETATM   45  H   UNL     1       2.703  -0.616  -1.881  1.00  0.00           H  
HETATM   46  H   UNL     1       2.349  -2.218  -2.570  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.071  -0.067  -1.804  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.046  -2.396  -2.754  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.040  -2.928  -1.377  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.581  -0.143  -4.234  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.139   0.269  -3.276  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.040  -0.979  -4.542  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.664   0.733   1.595  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.543   3.042   0.974  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.880   5.169  -2.182  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.802   3.636  -2.202  1.00  0.00           H  
HETATM   57  H   UNL     1       3.685   0.302   1.380  1.00  0.00           H  
HETATM   58  H   UNL     1       3.279   0.383  -0.351  1.00  0.00           H  
HETATM   59  H   UNL     1       5.989   0.460   2.125  1.00  0.00           H  
HETATM   60  H   UNL     1       7.268   1.512  -2.520  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.837  -0.889   0.196  1.00  0.00           H  
HETATM   62  S   UNL     1      -7.194  -0.251   2.490  1.00  0.00           S  
HETATM   63  H   UNL     1      -6.989   4.059   0.102  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.489   5.044   0.147  1.00  0.00           H  
HETATM   65  H   UNL     1       2.334  -3.820  -0.279  1.00  0.00           H  
HETATM   66  H   UNL     1       3.800  -4.423  -1.120  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.975  -3.556  -2.730  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.605  -2.454  -3.978  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.008  -3.213  -4.185  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.751  -1.190  -2.023  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.555   0.276  -1.288  1.00  0.00           H  
HETATM   72  H   UNL     1       3.594  -4.313   1.655  1.00  0.00           H  
HETATM   73  H   UNL     1       5.154  -4.154   0.791  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.558   1.450  -0.687  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.819   1.908   1.013  1.00  0.00           H  
HETATM   76  H   UNL     1       5.014   0.658  -2.022  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.853  -2.151   0.613  1.00  0.00           H  
HETATM   78  O   UNL     1      -8.143   0.823   1.978  1.00  0.00           O  
HETATM   79  O   UNL     1      -8.047  -1.329   2.850  1.00  0.00           O  
HETATM   80  O   UNL     1      -6.405   0.415   3.466  1.00  0.00           O  
HETATM   81  H   UNL     1      -8.753   1.161   2.648  1.00  0.00           H  
CONECT    1    5    6   42                                            
CONECT    2   17   11   43                                            
CONECT    3   30   20    4   44                                       
CONECT    4    3   33   45   46                                       
CONECT    5   34   34   33    1                                       
CONECT    6    1   22    7   47                                       
CONECT    7    6   24   48   49                                       
CONECT    8   24   50   51   52                                       
CONECT    9   27   25   18   53                                       
CONECT   10   17   27   19   54                                       
CONECT   11    2   19   55   56                                       
CONECT   12   30   13   57   58                                       
CONECT   13   14   14   31   12                                       
CONECT   14   32   13   13   59                                       
CONECT   15   35   40   41   36                                       
CONECT   16   29   31   31   60                                       
CONECT   17   37   37    2   10                                       
CONECT   18    9   38   61   62                                       
CONECT   19   10   11   63   64                                       
CONECT   20   26    3   65   66                                       
CONECT   21   28   28                                                 
CONECT   22   25    6   39   39                                       
CONECT   23   24   67   68   69                                       
CONECT   24   23    7    8   70                                       
CONECT   25    9   22   71                                            
CONECT   26   28   20   72   73                                       
CONECT   27   10    9   74   75                                       
CONECT   28   21   21   26   30                                       
CONECT   29   41   32   32   16                                       
CONECT   30   28   12    3                                            
CONECT   31   16   16   13   76                                       
CONECT   32   40   29   29   14                                       
CONECT   33    4    5                                                 
CONECT   34    5    5                                                 
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   17   17                                                 
CONECT   38   18   77                                                 
CONECT   39   22   22                                                 
CONECT   40   15   32                                                 
CONECT   41   15   29                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   18   78   79   79                                       
CONECT   62   80   80                                                 
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   31                                                      
CONECT   77   38                                                      
CONECT   78   62   81                                                 
CONECT   79   62   62                                                 
CONECT   80   62   62                                                 
CONECT   81   78                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
