HMDB0000666
     RDKit          3D
Heptanoic acid
 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.0619   -0.1642   -0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9058    0.8127   -0.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    0.0885    0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2987    0.9475    0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2317    0.1566    1.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7040   -1.1317    0.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4432   -0.9461   -0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8425   -2.0039   -1.0387 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7621    0.2366   -1.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6564   -0.9984   -1.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9308    0.3296   -1.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3050   -0.5764    0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4602    1.1432   -1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3498    1.6832   -0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728   -0.8460   -0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953   -0.1261    1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0140    1.8567    1.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8147    1.2850   -0.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600    0.7350    1.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7773   -0.0362    2.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4387   -1.5897    1.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803   -1.8882    0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2045    1.0321   -0.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  9 23  1  0
M  END