HMDB0060318
     RDKit          3D
(S)-4-Hydroxymandelonitrile
 18 18  0  0  0  0  0  0  0  0999 V2000
    3.3359   -1.7267   -0.1969 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7643   -0.7835    0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0433    0.4336    0.4726 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5355    1.4959   -0.2672 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5936    0.2164    0.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1087   -1.0557    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2299   -1.3104   -0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1432   -0.2765   -0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4980   -0.4979   -0.5023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6528    0.9960   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3178    1.2504    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2279    0.6772    1.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4689    1.3779   -1.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8224   -1.8837    0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6179   -2.3116   -0.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1104   -0.6660    0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3829    1.8087   -0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0525    2.2560    0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
  3 12  1  1
  4 13  1  0
  6 14  1  0
  7 15  1  0
  9 16  1  0
 10 17  1  0
 11 18  1  0
M  END