HMDB0032405
     RDKit          3D
3-Methylhexanal
 22 21  0  0  0  0  0  0  0  0999 V2000
    1.9665    1.1051   -0.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1148    1.2024    0.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -0.1033    1.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3201   -0.8161    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7488   -2.1476    0.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5889   -0.1805   -0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276    1.1082   -0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0753    2.0937   -0.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3614    0.8762   -1.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7894    0.3518   -0.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4799    2.0800   -0.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3699    1.9915    0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8259    1.5644    1.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4402   -0.7839    1.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0874   -0.0470    2.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2870   -1.1065   -0.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1164   -2.6223    1.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2061   -2.7479    0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5343   -1.9596    1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1344   -0.9652   -0.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2620   -0.1133    0.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9904    1.2198   -1.8743 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
  4  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
  5 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