HMDB0030028
     RDKit          3D
Ethyl isovalerate
 23 22  0  0  0  0  0  0  0  0999 V2000
    4.0588    0.6241    0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7289    1.0657   -0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7443    0.2074    0.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    0.2531   -0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096    1.1437   -1.0723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5076   -0.7377    0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9442   -0.5447   -0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5162    0.7785    0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7558   -1.6424    0.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8661    0.6211   -0.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2916    1.2426    1.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9742   -0.4327    0.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5913    2.1271   -0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8243    0.9140   -1.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2278   -1.7870   -0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4056   -0.7214    1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0413   -0.6820   -1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7707    1.5906    0.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1285    0.6438    1.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2498    1.0916   -0.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3981   -2.1778   -0.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4351   -1.2056    1.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1222   -2.3721    1.0597 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  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
  6 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
M  END