HMDB0251415 RDKit 3D Dinaline 30 31 0 0 0 0 0 0 0 0999 V2000 5.0997 0.9309 -0.5262 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 0.3935 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6179 -0.9628 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4096 -1.4568 0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -0.6190 0.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1464 -1.1794 1.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4099 -2.0164 2.4131 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -0.8337 0.9774 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2745 -0.4717 0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5274 -0.8874 0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7037 -0.4313 0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5717 0.5109 -0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3492 0.9860 -1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2257 0.5111 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9343 0.9768 -0.9248 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6709 0.7294 0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8809 1.2252 0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9843 0.8417 0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 1.4140 -1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3863 -1.6376 -0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1932 -2.5162 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6357 -1.6298 1.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6758 -1.6522 1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6737 -0.8321 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4668 0.8934 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2747 1.7364 -1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2326 0.3005 -1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6953 1.9668 -0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9314 1.4183 1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0955 2.2914 0.4408 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 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 5 16 1 0 16 17 2 0 17 2 1 0 14 9 1 0 1 18 1 0 1 19 1 0 3 20 1 0 4 21 1 0 8 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 15 27 1 0 15 28 1 0 16 29 1 0 17 30 1 0 M END