COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.425  -1.605  -0.703  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.004  -1.170   1.752  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.008   0.336   1.471  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.938   0.628   0.291  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.972   2.112   0.033  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.167   2.802   0.117  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.033   4.835  -0.440  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.837   4.147  -0.517  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.806   2.786  -0.281  1.00  0.00           C  
HETATM   10  C   UNL     1       0.060  -2.082   0.086  1.00  0.00           C  
HETATM   11  C   UNL     1       0.833  -1.528   1.093  1.00  0.00           C  
HETATM   12  C   UNL     1       1.984  -0.835   0.782  1.00  0.00           C  
HETATM   13  C   UNL     1       2.371  -0.693  -0.553  1.00  0.00           C  
HETATM   14  C   UNL     1       3.603   0.047  -0.893  1.00  0.00           C  
HETATM   15  C   UNL     1       5.578   1.322  -0.252  1.00  0.00           C  
HETATM   16  C   UNL     1       6.230   1.821   1.012  1.00  0.00           C  
HETATM   17  C   UNL     1       1.587  -1.255  -1.564  1.00  0.00           C  
HETATM   18  C   UNL     1       0.435  -1.947  -1.237  1.00  0.00           C  
HETATM   19  O   UNL     1       7.371   2.525   0.946  1.00  0.00           O  
HETATM   20  O   UNL     1       3.937   0.169  -2.055  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.658  -3.850  -0.592  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.242  -3.419   1.835  1.00  0.00           O  
HETATM   23  S   UNL     1      -1.405  -2.971   0.496  1.00  0.00           S  
HETATM   24  F   UNL     1       1.954  -1.123  -2.858  1.00  0.00           F  
HETATM   25  N   UNL     1       4.356   0.588   0.086  1.00  0.00           N  
HETATM   26  O   UNL     1       5.725   1.587   2.085  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.651  -1.880   0.516  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.424  -0.095  -0.956  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.198   4.163  -0.120  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.968  -2.118  -1.549  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.448  -1.956  -0.572  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.269  -1.395   2.525  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.993  -1.485   2.085  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.362   0.870   2.353  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.998   0.664   1.228  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.943   0.278   0.526  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.077   2.276   0.367  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.057   5.899  -0.625  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.927   4.673  -0.767  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.871   2.248  -0.341  1.00  0.00           H  
HETATM   41  H   UNL     1       0.533  -1.638   2.124  1.00  0.00           H  
HETATM   42  H   UNL     1       2.584  -0.403   1.569  1.00  0.00           H  
HETATM   43  H   UNL     1       5.328   2.170  -0.890  1.00  0.00           H  
HETATM   44  H   UNL     1       6.266   0.661  -0.779  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.172  -2.382  -2.016  1.00  0.00           H  
HETATM   46  H   UNL     1       7.751   2.823   1.784  1.00  0.00           H  
HETATM   47  H   UNL     1       4.089   0.491   1.013  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.410   0.237  -1.177  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.074   0.132  -1.802  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.133   4.701  -0.060  1.00  0.00           H  
CONECT    1   28   27   30   31                                       
CONECT    2    3   27   32   33                                       
CONECT    3    4    2   34   35                                       
CONECT    4    5   28    3   36                                       
CONECT    5    6    6    9    4                                       
CONECT    6   29    5    5   37                                       
CONECT    7   29   29    8   38                                       
CONECT    8    7    9    9   39                                       
CONECT    9    8    8    5   40                                       
CONECT   10   23   18   18   11                                       
CONECT   11   10   12   12   41                                       
CONECT   12   11   11   13   42                                       
CONECT   13   17   17   12   14                                       
CONECT   14   13   25   20   20                                       
CONECT   15   16   25   43   44                                       
CONECT   16   26   26   19   15                                       
CONECT   17   18   24   13   13                                       
CONECT   18   10   10   17   45                                       
CONECT   19   16   46                                                 
CONECT   20   14   14                                                 
CONECT   21   23   23                                                 
CONECT   22   23   23                                                 
CONECT   23   27   21   21   22                                       
CONECT   23   22   10                                                 
CONECT   24   17                                                      
CONECT   25   14   15   47                                            
CONECT   26   16   16                                                 
CONECT   27    1    2   23                                            
CONECT   28    4    1   48   49                                       
CONECT   29    7    7    6   50                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
