HMDB0003671
     RDKit          3D
2-Heptanone
 22 21  0  0  0  0  0  0  0  0999 V2000
   -3.0037    0.5943   -0.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5054   -0.4712    0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0980   -0.9213    0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045    0.2129    0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2541   -0.3441    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3161    0.6958    0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7069    0.2733   -0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    1.8656    0.3623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5336    0.5870   -1.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9471    1.6206    0.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0945    0.4341   -0.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6115   -0.1394    1.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1547   -1.3687    0.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0957   -1.3612   -0.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8144   -1.6513    1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0515    0.6114    1.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3476    0.9801   -0.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2864   -0.8245   -0.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5604   -1.1525    0.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3609    1.1268   -0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1534   -0.2936    0.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323   -0.4743   -1.0705 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
  6  8  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  7 20  1  0
  7 21  1  0
  7 22  1  0
M  END