COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.457   0.983  -0.010  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.460   1.891   0.084  1.00  0.00           C  
HETATM    3  N   UNL     1       1.737   0.179  -0.754  1.00  0.00           N  
HETATM    4  C   UNL     1       4.292  -1.641   0.927  1.00  0.00           C  
HETATM    5  C   UNL     1       2.979  -0.157  -0.245  1.00  0.00           C  
HETATM    6  C   UNL     1       5.205   0.366   0.022  1.00  0.00           C  
HETATM    7  C   UNL     1       1.213   1.404  -0.109  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.289   1.235  -0.068  1.00  0.00           C  
HETATM    9  C   UNL     1       5.384  -0.809   0.735  1.00  0.00           C  
HETATM   10  C   UNL     1       6.736  -1.175   1.289  1.00  0.00           C  
HETATM   11  N   UNL     1       3.118  -1.290   0.427  1.00  0.00           N  
HETATM   12  N   UNL     1       4.002   0.663  -0.441  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.577  -0.124  -0.261  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.830   1.250   0.091  1.00  0.00           C  
HETATM   15  C   UNL     1       1.987  -2.536  -1.793  1.00  0.00           C  
HETATM   16  O   UNL     1      -8.453  -0.268  -0.322  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.745   0.206   0.085  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.413  -2.932  -1.224  1.00  0.00           C  
HETATM   19  C   UNL     1       0.628  -1.868  -1.576  1.00  0.00           C  
HETATM   20  C   UNL     1       0.733  -0.859  -0.430  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.096   0.472   0.184  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.448  -1.297   1.925  1.00  0.00           C  
HETATM   23  C   UNL     1       6.363   1.303  -0.206  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.277   2.560   0.202  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.629   2.820   0.301  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.538   1.779   0.289  1.00  0.00           C  
HETATM   27  F   UNL     1       6.947   1.630   1.023  1.00  0.00           F  
HETATM   28  F   UNL     1       7.312   0.681  -1.023  1.00  0.00           F  
HETATM   29  F   UNL     1       5.903   2.469  -0.828  1.00  0.00           F  
HETATM   30  O   UNL     1       6.648  -2.425   1.976  1.00  0.00           O  
HETATM   31  N   UNL     1      -1.876  -0.273  -0.231  1.00  0.00           N  
HETATM   32  S   UNL     1      -7.257  -0.852   0.177  1.00  0.00           S  
HETATM   33  O   UNL     1      -6.599  -1.892  -0.533  1.00  0.00           O  
HETATM   34  H   UNL     1      -1.579   2.952   0.249  1.00  0.00           H  
HETATM   35  H   UNL     1       4.398  -2.566   1.474  1.00  0.00           H  
HETATM   36  H   UNL     1       1.609   1.495   0.902  1.00  0.00           H  
HETATM   37  H   UNL     1       1.476   2.282  -0.698  1.00  0.00           H  
HETATM   38  H   UNL     1       7.453  -1.260   0.472  1.00  0.00           H  
HETATM   39  H   UNL     1       7.066  -0.402   1.983  1.00  0.00           H  
HETATM   40  H   UNL     1       1.913  -3.255  -2.609  1.00  0.00           H  
HETATM   41  H   UNL     1       2.729  -1.778  -2.043  1.00  0.00           H  
HETATM   42  H   UNL     1       2.288  -3.052  -0.881  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.400  -0.814   0.002  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.112  -3.448  -0.313  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.382  -2.456  -1.070  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.488  -3.651  -2.041  1.00  0.00           H  
HETATM   47  H   UNL     1       0.327  -1.352  -2.488  1.00  0.00           H  
HETATM   48  H   UNL     1       1.003  -1.368   0.495  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.158  -2.119   2.016  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.483  -1.604   2.329  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.817  -0.435   2.481  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.567   3.374   0.212  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.978   3.839   0.388  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.596   1.985   0.366  1.00  0.00           H  
HETATM   55  H   UNL     1       7.484  -2.723   2.360  1.00  0.00           H  
CONECT    1   31    2   14                                            
CONECT    2    8    8    1   34                                       
CONECT    3    5   20    7                                            
CONECT    4    9    9   11   35                                       
CONECT    5   11   11   12    3                                       
CONECT    6    9   23   12   12                                       
CONECT    7    3    8   36   37                                       
CONECT    8    7   13    2    2                                       
CONECT    9   10    4    4    6                                       
CONECT   10   30    9   38   39                                       
CONECT   11    4    5    5                                            
CONECT   12    6    6    5                                            
CONECT   13   20    8   31   31                                       
CONECT   14    1   24   24   17                                       
CONECT   15   19   40   41   42                                       
CONECT   16   32   32                                                 
CONECT   17   14   21   21   43                                       
CONECT   18   19   44   45   46                                       
CONECT   19   20   18   15   47                                       
CONECT   20    3   19   13   48                                       
CONECT   21   17   17   26   32                                       
CONECT   22   32   49   50   51                                       
CONECT   23   28   27    6   29                                       
CONECT   24   14   14   25   52                                       
CONECT   25   24   26   26   53                                       
CONECT   26   25   25   21   54                                       
CONECT   27   23                                                      
CONECT   28   23                                                      
CONECT   29   23                                                      
CONECT   30   10   55                                                 
CONECT   31   13   13    1                                            
CONECT   32   21   22   16   16                                       
CONECT   32   33   33                                                 
CONECT   33   32   32                                                 
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
