HMDB0034493 RDKit 3D Valtrate 27 29 0 0 0 0 0 0 0 0999 V2000 -4.0089 -0.1428 0.4711 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -0.8482 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 0.0555 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8779 1.2905 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7938 2.1239 0.6786 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4432 1.9550 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5187 2.8951 -0.9845 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 0.6092 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 -0.3942 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 -1.6030 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6183 -1.4962 -0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4036 -2.4458 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 -0.0897 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 0.0870 1.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1398 0.4530 -0.1057 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5958 -0.0297 -0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9563 -1.2458 -0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 -1.6835 0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8434 1.7247 0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2439 2.2015 0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3303 2.8089 -1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 0.6227 -1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3295 -2.5225 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6577 -1.5235 -1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9686 -2.8728 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 0.8516 1.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 -0.7812 1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 9 3 1 0 15 13 1 0 13 8 1 0 1 16 1 0 2 17 1 0 2 18 1 0 4 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 14 26 1 0 14 27 1 0 M END