HMDB0000695 RDKit 3D Ketoleucine 19 18 0 0 0 0 0 0 0 0999 V2000 -2.0703 0.1757 -1.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9527 -0.5142 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4345 -0.7518 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2662 0.3326 -0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4513 -0.1546 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5124 -1.2279 0.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6774 0.6181 0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6581 1.7008 -0.5434 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8562 0.2187 0.7443 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 0.0073 -0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8598 1.2579 -1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1308 -0.2351 -2.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8046 -1.4936 -0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5389 -0.9069 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 0.1382 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0344 -1.6846 1.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0672 1.3723 -0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5057 0.4166 -1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1646 0.7304 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 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 3 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 9 19 1 0 M END