HMDB0256334 RDKit 3D Perfluorotetradecanoic acid 44 43 0 0 0 0 0 0 0 0999 V2000 -4.9853 2.0832 -1.7192 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5027 1.6929 -0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7397 1.1209 -0.6851 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8094 1.8320 0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6751 2.5907 1.4959 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6919 2.6010 0.5619 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6173 0.5165 1.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9098 0.0004 1.5709 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1094 0.7583 2.6013 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8413 -0.4429 0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4743 -0.6986 -0.6828 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9434 -1.7020 1.1976 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3712 -0.1753 0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 -0.1533 1.6505 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 0.9528 -0.3580 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8521 -1.3734 -0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -1.3862 -1.5963 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2346 -2.4931 0.2894 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4092 -1.3816 -0.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2273 -0.2248 -1.5356 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 -2.4308 -1.5952 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -1.3820 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 -2.5532 1.1262 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5835 -0.3488 1.2048 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9956 -1.6592 -0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9553 -2.9363 -0.6553 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7191 -1.9733 1.1149 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6427 -0.7375 -0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9852 -0.6588 -2.1442 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8679 -1.3787 -1.3746 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0456 0.6252 -0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6127 1.2192 -1.6919 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9008 1.4314 -0.3611 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9185 0.9011 0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0503 2.3183 0.5649 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2673 0.7514 1.8212 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3045 0.4061 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4475 -0.9735 0.5559 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8987 0.7211 1.8794 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2864 0.9613 -0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9754 0.7310 -1.6825 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5001 0.3292 -0.1297 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4404 2.3332 -0.2314 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.0005 0.1859 -0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 4 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 40 41 1 0 40 42 1 0 40 43 1 0 3 44 1 0 M END