6c85_ligand
     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.6870    2.4340    0.9124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3728    1.3208    0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0720    0.9636    0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4162    0.2558    0.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9551   -0.6921   -0.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3728   -1.3208   -0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6870   -2.4340   -0.9124 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2993   -0.5274    0.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3049    1.2733   -0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7114    1.5227    0.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5842   -0.2836    1.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3506    0.7417   -0.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8255   -0.1597   -1.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6957   -1.4861   -0.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1048   -0.8300    1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3348   -0.7784    0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  3  8  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  3  9  1  0
  3 10  1  0
  4 11  1  0
  4 12  1  0
  5 13  1  0
  5 14  1  0
  8 15  1  0
  8 16  1  0
M  END
>  <_TriposChargeType>  (1) 
GAST_HUCK

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