HMDB0031475
     RDKit          3D
Heptanal
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.2406    0.5861   -0.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2024   -0.4480   -0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8238    0.1402   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1587   -0.9662    0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5530   -0.4723    0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1014    0.2555   -0.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5056    0.7246   -0.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0916    1.3248   -1.5666 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8136    0.8858    0.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8499    1.4980   -1.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0296    0.1442   -1.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1298   -1.1774   -1.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685   -1.0114    0.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4719    0.6781   -1.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7772    0.8527    0.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1368   -1.7625   -0.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1440   -1.4685    0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6081    0.2400    1.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2528   -1.2970    0.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0471   -0.4264   -1.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4962    1.1606   -1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    0.5390    0.2341 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
  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
  6 20  1  0
  6 21  1  0
  7 22  1  0
M  END