COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.425  -1.748  -0.113  1.00  0.00           C  
HETATM    2  C   UNL     1       2.676  -1.394   0.559  1.00  0.00           C  
HETATM    3  C   UNL     1       3.003  -0.401   1.468  1.00  0.00           C  
HETATM    4  C   UNL     1       3.767  -3.322  -0.467  1.00  0.00           C  
HETATM    5  C   UNL     1       4.302  -0.578   1.818  1.00  0.00           C  
HETATM    6  C   UNL     1       3.827  -2.190   0.371  1.00  0.00           C  
HETATM    7  C   UNL     1       2.123   0.720   1.972  1.00  0.00           C  
HETATM    8  N   UNL     1       2.574  -3.629  -1.026  1.00  0.00           N  
HETATM    9  C   UNL     1       1.446  -2.885  -0.869  1.00  0.00           C  
HETATM   10  C   UNL     1       2.493  -4.836  -1.853  1.00  0.00           C  
HETATM   11  N   UNL     1       4.813  -1.648   1.138  1.00  0.00           N  
HETATM   12  O   UNL     1       4.757  -4.002  -0.680  1.00  0.00           O  
HETATM   13  N   UNL     1       1.204   1.150   0.930  1.00  0.00           N  
HETATM   14  C   UNL     1       0.188   0.379   0.378  1.00  0.00           C  
HETATM   15  C   UNL     1       0.190  -0.946   0.005  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.994  -1.587  -0.401  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.165  -0.882  -0.524  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.167   0.487  -0.235  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.008   1.104   0.217  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.402   1.275  -0.408  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.443   0.718  -0.693  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.375   2.613  -0.249  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.628   3.324  -0.435  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.430  -1.572  -0.966  1.00  0.00           C  
HETATM   25  S   UNL     1      -4.388  -2.068   0.492  1.00  0.00           S  
HETATM   26  O   UNL     1      -3.652  -3.053   1.204  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.818  -0.896   1.172  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.835  -2.861  -0.263  1.00  0.00           C  
HETATM   29  C   UNL     1       1.358   2.445   0.442  1.00  0.00           C  
HETATM   30  C   UNL     1       2.250   2.689  -0.599  1.00  0.00           C  
HETATM   31  C   UNL     1       2.392   3.982  -1.075  1.00  0.00           C  
HETATM   32  C   UNL     1       1.634   4.991  -0.491  1.00  0.00           C  
HETATM   33  C   UNL     1       0.768   4.675   0.540  1.00  0.00           C  
HETATM   34  N   UNL     1       0.650   3.432   0.968  1.00  0.00           N  
HETATM   35  F   UNL     1       1.743   6.265  -0.924  1.00  0.00           F  
HETATM   36  F   UNL     1       2.967   1.679  -1.138  1.00  0.00           F  
HETATM   37  H   UNL     1       4.847   0.032   2.523  1.00  0.00           H  
HETATM   38  H   UNL     1       1.553   0.372   2.833  1.00  0.00           H  
HETATM   39  H   UNL     1       2.747   1.563   2.268  1.00  0.00           H  
HETATM   40  H   UNL     1       0.538  -3.205  -1.357  1.00  0.00           H  
HETATM   41  H   UNL     1       3.468  -5.321  -1.885  1.00  0.00           H  
HETATM   42  H   UNL     1       1.760  -5.520  -1.425  1.00  0.00           H  
HETATM   43  H   UNL     1       2.188  -4.564  -2.864  1.00  0.00           H  
HETATM   44  H   UNL     1       5.727  -1.968   1.193  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.982  -2.645  -0.617  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.023   2.159   0.445  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.466   4.391  -0.278  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.994   3.157  -1.448  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.363   2.959   0.283  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.022  -0.890  -1.575  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.176  -2.456  -1.552  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.510  -3.707  -0.869  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.507  -3.212   0.521  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.356  -2.141  -0.893  1.00  0.00           H  
HETATM   55  H   UNL     1       3.076   4.202  -1.881  1.00  0.00           H  
HETATM   56  H   UNL     1       0.177   5.455   0.997  1.00  0.00           H  
CONECT    1   15    2    9    9                                       
CONECT    2    3    1    6    6                                       
CONECT    3    7    5    5    2                                       
CONECT    4    6    8   12   12                                       
CONECT    5    3    3   11   37                                       
CONECT    6    2    2   11    4                                       
CONECT    7   13    3   38   39                                       
CONECT    8    9    4   10                                            
CONECT    9    1    1    8   40                                       
CONECT   10    8   41   42   43                                       
CONECT   11    5    6   44                                            
CONECT   12    4    4                                                 
CONECT   13   29   14    7                                            
CONECT   14   19   13   15   15                                       
CONECT   15   14   14   16    1                                       
CONECT   16   17   17   15   45                                       
CONECT   17   18   24   16   16                                       
CONECT   18   20   19   19   17                                       
CONECT   19   18   18   14   46                                       
CONECT   20   21   21   22   18                                       
CONECT   21   20   20                                                 
CONECT   22   23   20                                                 
CONECT   23   22   47   48   49                                       
CONECT   24   17   25   50   51                                       
CONECT   25   24   26   26   28                                       
CONECT   25   27   27                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   52   53   54                                       
CONECT   29   30   30   34   13                                       
CONECT   30   31   36   29   29                                       
CONECT   31   32   32   30   55                                       
CONECT   32   35   31   31   33                                       
CONECT   33   32   34   34   56                                       
CONECT   34   33   33   29                                            
CONECT   35   32                                                      
CONECT   36   30                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   16                                                      
CONECT   46   19                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   31                                                      
CONECT   56   33                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
