HMDB0040033 RDKit 3D 2-Heptylbenzothiazole 35 36 0 0 0 0 0 0 0 0999 V2000 -4.8880 0.0262 -1.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6629 0.3878 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4451 -0.3405 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2123 0.0361 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0027 -0.6725 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 -0.3662 1.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5427 -1.1376 2.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6926 -0.7143 1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5631 0.2580 1.3615 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5046 0.4836 0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4897 1.4827 0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4183 1.6039 -0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 0.8096 -1.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5027 -0.1688 -1.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -0.3167 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2115 -1.3534 -0.3347 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 0.4353 -2.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9426 -1.0847 -1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8812 0.4744 -1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5501 0.1197 0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4424 1.4726 -0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5675 -1.4418 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2715 -0.0557 1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3784 -0.2712 -1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0566 1.1316 -0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1451 -0.3882 -0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1435 -1.7685 0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5263 -0.7853 2.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6376 0.6934 1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3996 -2.2183 1.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7993 -1.0116 3.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5354 2.1690 1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1904 2.3780 -0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2349 0.9661 -2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4581 -0.8325 -2.4551 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 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 8 1 0 15 10 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 M END