HMDB0036111 RDKit 3D beta-Bisabolol 42 42 0 0 0 0 0 0 0 0999 V2000 -4.3599 0.1284 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1203 0.9276 0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2804 1.3642 1.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 1.2170 0.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7173 0.7790 -0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7646 -0.0966 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3733 -0.4855 -0.3551 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1935 -1.2619 -1.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 -1.2463 0.3254 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9950 -2.4573 0.8684 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5481 -1.5499 -0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1686 -0.2362 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6736 0.4574 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3268 1.7663 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5339 -0.1698 1.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 -0.4026 1.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9114 -0.8982 -0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4407 -0.0463 -1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 0.6532 -1.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6311 2.3469 0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0969 0.6100 1.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9755 1.4375 2.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6711 1.7940 1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0141 0.3042 -1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0968 1.6726 -0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2291 -1.0730 0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 0.3723 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8301 0.4504 -0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -0.6936 -2.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -2.2793 -1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2787 -1.4903 -1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2163 -3.2221 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3433 -2.1909 -0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2032 -2.0161 -1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1983 0.1034 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 1.7689 0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 2.5895 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5029 1.9428 -1.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 -1.1126 1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8544 0.5254 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8358 -0.8724 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5783 0.5899 1.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 1 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 9 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 6 8 29 1 0 8 30 1 0 8 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 M END