COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.307   2.431  -0.060  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.739   1.594  -1.038  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.550   2.095  -0.210  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.074  -5.372  -1.593  1.00  0.00           O  
HETATM    5  C   UNL     1       1.602   1.716  -1.918  1.00  0.00           C  
HETATM    6  C   UNL     1       2.968   1.512  -1.863  1.00  0.00           C  
HETATM    7  C   UNL     1       2.642  -0.275  -0.290  1.00  0.00           C  
HETATM    8  C   UNL     1       1.273  -0.076  -0.349  1.00  0.00           C  
HETATM    9  C   UNL     1       1.044  -1.868   1.198  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.987  -2.761   0.457  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.397  -4.749  -0.794  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.546  -4.619   0.625  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.259   3.612   1.679  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.109   2.946   0.777  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.501   3.106   0.842  1.00  0.00           C  
HETATM   16  N   UNL     1      -7.857   2.716   0.048  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.729   2.590   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.592   1.132  -1.211  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.044  -2.641   1.946  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.754  -3.428  -0.431  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.352   2.607   0.630  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.912   3.437   1.599  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.394   1.428  -1.114  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.150   1.938  -0.271  1.00  0.00           C  
HETATM   25  C   UNL     1       0.751   0.927  -1.161  1.00  0.00           C  
HETATM   26  C   UNL     1       3.490   0.517  -1.050  1.00  0.00           C  
HETATM   27  F   UNL     1       5.354   0.349   1.469  1.00  0.00           F  
HETATM   28  N   UNL     1      -0.878  -3.365   0.983  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.299  -5.312  -0.249  1.00  0.00           N  
HETATM   30  O   UNL     1       4.834   0.318  -0.998  1.00  0.00           O  
HETATM   31  O   UNL     1       4.812   2.348   0.199  1.00  0.00           O  
HETATM   32  O   UNL     1       6.926   1.086  -0.230  1.00  0.00           O  
HETATM   33  O   UNL     1       0.439  -0.859   0.387  1.00  0.00           O  
HETATM   34  O   UNL     1       0.444  -5.137   1.105  1.00  0.00           O  
HETATM   35  S   UNL     1       5.540   1.134   0.076  1.00  0.00           S  
HETATM   36  H   UNL     1      -5.381   1.078  -1.736  1.00  0.00           H  
HETATM   37  H   UNL     1       1.198   2.494  -2.549  1.00  0.00           H  
HETATM   38  H   UNL     1       3.630   2.128  -2.454  1.00  0.00           H  
HETATM   39  H   UNL     1       3.049  -1.052   0.340  1.00  0.00           H  
HETATM   40  H   UNL     1       1.717  -1.401   1.917  1.00  0.00           H  
HETATM   41  H   UNL     1       1.607  -2.554   0.565  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.244  -1.753   0.746  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.675   4.262   2.434  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.940   3.751   1.589  1.00  0.00           H  
HETATM   45  H   UNL     1       0.420  -3.350   2.631  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.664  -1.943   2.510  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.630  -2.961  -0.857  1.00  0.00           H  
HETATM   48  H   UNL     1       0.720   2.488   0.585  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.266   3.951   2.295  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.972   0.779  -1.867  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.046  -6.215  -0.496  1.00  0.00           H  
CONECT    1    2    2   15   17                                       
CONECT    2   23    1    1   36                                       
CONECT    3   24   23   23   14                                       
CONECT    4   11   11                                                 
CONECT    5    6   25   25   37                                       
CONECT    6   26   26    5   38                                       
CONECT    7   26    8    8   39                                       
CONECT    8    7    7   25   33                                       
CONECT    9   19   33   40   41                                       
CONECT   10   28   20   20   42                                       
CONECT   11   29   20    4    4                                       
CONECT   12   34   34   28   29                                       
CONECT   13   22   22   14   43                                       
CONECT   14    3   13   15   15                                       
CONECT   15   14   14    1   44                                       
CONECT   16   17   17   17                                            
CONECT   17    1   16   16   16                                       
CONECT   18   25   24                                                 
CONECT   19    9   28   45   46                                       
CONECT   20   10   10   11   47                                       
CONECT   21   24   24   22   48                                       
CONECT   22   21   13   13   49                                       
CONECT   23    3    3    2   50                                       
CONECT   24   18   21   21    3                                       
CONECT   25    5    5    8   18                                       
CONECT   26   30    6    6    7                                       
CONECT   27   35                                                      
CONECT   28   19   12   10                                            
CONECT   29   12   11   51                                            
CONECT   30   35   26                                                 
CONECT   31   35   35                                                 
CONECT   32   35   35                                                 
CONECT   33    8    9                                                 
CONECT   34   12   12                                                 
CONECT   35   27   32   32   30                                       
CONECT   35   31   31                                                 
CONECT   36    2                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
