HMDB0042004 RDKit 3D Quinaldine 20 21 0 0 0 0 0 0 0 0999 V2000 3.3234 -0.7365 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9153 -0.2330 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 1.1211 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 1.5870 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 0.7144 -0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0192 1.1596 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0678 0.2441 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8008 -1.1056 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -1.5069 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4179 -0.6361 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8674 -1.0759 0.0982 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4974 -1.5218 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 -1.1565 1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0084 0.1055 -0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4607 1.8570 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1402 2.6582 -0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 2.2258 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0776 0.6490 -0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6396 -1.7868 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2922 -2.5625 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 2 1 0 10 5 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 4 16 1 0 6 17 1 0 7 18 1 0 8 19 1 0 9 20 1 0 M END