HMDB0030773
     RDKit          3D
Juglone
 19 20  0  0  0  0  0  0  0  0999 V2000
    2.0681   -2.2200    0.9575 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6585   -1.0460    0.7625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4669    0.1049    1.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537    1.3421    0.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7373    1.5987    0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3110    2.7646    0.1215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1249    0.4813   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3579    0.7492   -0.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8168    2.0370   -0.8417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1297   -0.3365   -0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6751   -1.6304   -0.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4419   -1.8708   -0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3449   -0.7946    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4444   -0.0283    1.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583    2.2158    1.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7289    2.1528   -1.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119   -0.1909   -1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992   -2.4684   -1.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0567   -2.8605   -0.0051 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
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 13  7  1  0
  3 14  1  0
  4 15  1  0
  9 16  1  0
 10 17  1  0
 11 18  1  0
 12 19  1  0
M  END