HMDB0040032 RDKit 3D 2-Hexylbenzothiazole 32 33 0 0 0 0 0 0 0 0999 V2000 4.4519 1.1497 -0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6883 -0.1273 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.0024 -0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4641 -1.2141 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -1.5046 1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5336 -0.3889 1.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7962 -0.0712 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4603 -0.5860 0.2514 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6363 -0.1269 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4531 -0.5842 -1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6657 -0.0033 -1.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1986 1.0345 -0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3916 1.4747 0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1387 0.9011 0.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8705 1.1312 1.8204 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5472 0.9706 -0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1105 1.6375 -1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2489 1.8656 0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 -0.2653 1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2764 -0.9506 -0.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8696 0.9307 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4666 0.1046 -1.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0164 -2.0846 -0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5443 -1.1117 -0.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7176 -2.4721 1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2258 -1.6298 1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3804 -0.6290 2.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 0.5287 1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1367 -1.3858 -1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3050 -0.3505 -2.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1457 1.4834 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7188 2.2760 1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 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 15 7 1 0 14 9 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 M END