HMDB0032024
     RDKit          3D
4-Ethylbenzaldehyde
 20 20  0  0  0  0  0  0  0  0999 V2000
   -2.8518    0.1296    0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1280   -0.1948   -0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6668   -0.1172   -0.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0057    1.0577   -0.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3708    1.1366   -0.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1070    0.0460    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5636    0.1412    0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1239    1.2455   -0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522   -1.1484    0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.2218    0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1976   -0.0518    1.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7417   -0.5307    0.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2626    1.1697    0.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3675   -1.2580   -0.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5072    0.4833   -1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5894    1.9277   -0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8697    2.0731   -0.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091   -0.7378    0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0585   -1.9894    0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4273   -2.1607    0.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  9 19  1  0
 10 20  1  0
M  END