HMDB0256322 RDKit 3D Perfluoroheptanoic acid 23 22 0 0 0 0 0 0 0 0999 V2000 2.8867 0.8998 -1.7923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 0.4191 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0118 1.2393 0.4429 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4185 -1.0030 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 -1.6954 -1.5556 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4262 -1.6342 0.3140 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -1.0243 0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 -2.3312 0.6837 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3384 -0.3684 1.6357 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0282 -0.3719 -0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3701 0.9028 -0.6848 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 -1.0913 -1.5848 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2899 -0.5840 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5565 -1.9567 0.3769 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2196 -0.0796 1.5675 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4812 0.0189 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6937 -0.4212 -1.6716 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5844 -0.5239 0.3347 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6589 1.4845 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 2.2832 -0.7889 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8522 1.8824 1.0534 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 1.7915 -0.9133 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 2.1636 0.3381 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 3 23 1 0 M END