HMDB0030819
     RDKit          3D
Aesculetin
 19 20  0  0  0  0  0  0  0  0999 V2000
    3.9201   -1.5027   -0.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8410   -0.8433   -0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8806    0.4580    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7161    1.1518    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5233    0.4975    0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6804    1.1179    0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8561    0.4346    0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0613    1.0687    0.3025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8800   -0.8722   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0781   -1.5552   -0.5849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6654   -1.5010   -0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207   -0.8098   -0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736   -1.3914   -0.4383 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8322    0.9459    0.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7414    2.1946    0.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664    2.1495    0.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1653    2.0261    0.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9463   -1.0611   -0.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -2.5077   -0.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13  2  1  0
 12  5  1  0
  3 14  1  0
  4 15  1  0
  6 16  1  0
  8 17  1  0
 10 18  1  0
 11 19  1  0
M  END