HMDB0256017 RDKit 3D Oxynicotine 27 28 0 0 0 0 0 0 0 0999 V2000 -1.4434 1.6566 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 0.3284 -0.5682 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.0686 -0.5778 -1.5827 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.4845 0.0061 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1331 -0.8691 1.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6459 -1.0323 1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2543 0.2215 0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 0.1299 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9404 -0.8603 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2779 -1.0205 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 -0.1576 -0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9902 0.7937 -1.3399 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 0.9543 -0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 1.6728 -2.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5484 1.9176 -1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9882 2.4531 -0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 -0.4646 -0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8651 0.9689 0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6592 -1.8546 1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4433 -0.4233 2.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4452 -1.9517 0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1514 -1.0708 2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 1.0648 1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5521 -1.5463 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8609 -1.8129 0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8289 -0.2611 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0808 1.7351 -1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 7 2 1 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 13 27 1 0 M CHG 2 2 1 3 -1 M END