(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE DSViewer 3D 0 26 27 0 0 0 0 0 0 0 0999 V2000 31.1790 23.8160 26.6670 N 0 0 0 0 0 0 0 0 0 1 31.9470 22.8180 27.3110 C 0 0 0 0 0 0 0 0 0 2 32.6240 21.8560 26.5370 C 0 0 0 0 0 0 0 0 0 3 32.5390 21.9030 25.1300 C 0 0 0 0 0 0 0 0 0 4 31.7710 22.8970 24.4920 C 0 0 0 0 0 0 0 0 0 5 31.0870 23.8570 25.2630 C 0 0 0 0 0 0 0 0 0 6 34.4490 21.3560 28.2120 N 0 0 0 0 0 0 0 0 0 7 33.4580 20.7650 27.2350 C 0 0 1 0 0 0 0 0 0 8 32.5710 19.7980 28.0550 C 0 0 0 0 0 0 0 0 0 9 33.4920 19.3220 29.1730 C 0 0 0 0 0 0 0 0 0 10 34.3540 20.5630 29.4840 C 0 0 0 0 0 0 0 0 0 11 35.8280 21.1970 27.6460 C 0 0 0 0 0 0 0 0 0 12 32.0143 22.7937 28.3986 H 0 0 0 0 0 0 0 0 0 13 33.0718 21.1643 24.5313 H 0 0 0 0 0 0 0 0 0 14 31.7063 22.9231 23.4042 H 0 0 0 0 0 0 0 0 0 15 30.4898 24.6274 24.7752 H 0 0 0 0 0 0 0 0 0 16 34.0003 20.1955 26.4802 H 0 0 0 0 0 0 0 0 0 17 31.7030 20.3172 28.4613 H 0 0 0 0 0 0 0 0 0 18 32.2396 18.9602 27.4415 H 0 0 0 0 0 0 0 0 0 19 32.9173 19.0180 30.0479 H 0 0 0 0 0 0 0 0 0 20 34.1127 18.4907 28.8386 H 0 0 0 0 0 0 0 0 0 21 35.3480 20.2570 29.8102 H 0 0 0 0 0 0 0 0 0 22 33.8830 21.1608 30.2643 H 0 0 0 0 0 0 0 0 0 23 36.5564 21.6184 28.3387 H 0 0 0 0 0 0 0 0 0 24 35.8916 21.7185 26.6909 H 0 0 0 0 0 0 0 0 0 25 36.0400 20.1383 27.4963 H 0 0 0 0 0 0 0 0 0 26 1 2 4 0 0 0 1 6 4 0 0 0 2 3 4 0 0 0 3 4 4 0 0 0 3 8 1 0 0 0 4 5 4 0 0 0 5 6 4 0 0 0 7 8 1 0 0 0 7 11 1 0 0 0 7 12 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 2 13 1 0 0 0 4 14 1 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 8 17 1 0 0 0 9 18 1 0 0 0 9 19 1 0 0 0 10 20 1 0 0 0 10 21 1 0 0 0 11 22 1 0 0 0 11 23 1 0 0 0 12 24 1 0 0 0 12 25 1 0 0 0 12 26 1 0 0 0 M END > <InstanceId> 1OL8_NCT_A_1207 > <ChemCompId> NCT > <PdbId> 1OL8 > <ChainId> A > <ResidueNumber> 1207 > <Model> 1 > <MissingHeavyAtoms> 0 > <MissingHydrogenAtoms> 14 > <ObservedFormula> C10 N2 > <SystematicName> 3-[(1R,2S)-1-methylpyrrolidin-2-yl]pyridine > <Synonyms> (S)-(-)-NICOTINE, 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE > <Type> NON-POLYMER > <Formula> C10 H14 N2 > <MolecularWeight> 162.232 > <ModifiedDate> 2011-06-04 > <AmbiguousFlag> N > <InChI> InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 > <InChIKey> SNICXCGAKADSCV-JTQLQIEISA-N > <SMILES> C[N@@]1CCC[C@H]1c2cccnc2 $$$$
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Nicotine/SDfiles/File:(S)-nicotine composite.sdf
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