HMDB0059895
     RDKit          3D
m-Methylacetophenone
 20 20  0  0  0  0  0  0  0  0999 V2000
    2.7456   -1.0975    0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2301    0.2504   -0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0460    1.1735   -0.3112 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8141    0.5504   -0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3236    1.7999   -0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0412    2.0504   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317    1.0328   -0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4613   -0.2254    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3595   -1.3648    0.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0865   -0.4564    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8029   -1.0315    0.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1753   -1.4573    1.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5557   -1.8397   -0.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0080    2.6351   -0.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3846    3.0541   -0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9963    1.2199   -0.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1523   -0.9916    1.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7656   -1.7026   -0.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8191   -2.1629    0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2968   -1.4369    0.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
 10 20  1  0
M  END