HMDB0029592 RDKit 3D Triacetin 29 28 0 0 0 0 0 0 0 0999 V2000 -3.9070 -1.1710 0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4102 -1.0270 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7162 -0.9643 1.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -0.9596 -0.8772 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3818 -0.8261 -0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2023 0.4257 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7181 0.3090 -0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 -0.9117 -0.0017 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4325 -1.2940 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8427 -2.5743 0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 -0.5497 -0.6398 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3098 1.5954 -0.9253 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9325 2.5250 -0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4904 3.7793 -0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 2.3138 1.1037 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1648 -2.2016 0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2006 -0.9579 1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3957 -0.4948 -0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1343 -0.8077 -2.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1856 -1.6829 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0207 0.4162 0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 1.1499 -0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 0.2498 -1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7438 -2.9370 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0431 -3.3118 0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0549 -2.4677 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7515 4.6249 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7496 3.7051 -1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3844 4.0450 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 6 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 1 16 1 0 1 17 1 0 1 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 14 27 1 0 14 28 1 0 14 29 1 0 M END