HMDB0036644 RDKit 3D beta-Bulnesene 39 40 0 0 0 0 0 0 0 0999 V2000 2.6717 1.8995 0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5052 0.4195 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5585 -0.3348 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4924 -0.2350 0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 -1.6720 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3058 -2.4536 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -1.9146 0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -2.8983 -0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -0.6798 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7231 -0.2833 -0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3732 0.9678 -1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 1.5889 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7287 2.8834 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8718 0.5709 0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5307 0.6376 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 2.2274 -0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7764 2.2480 1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8401 2.4336 -0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5088 0.2368 -0.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 -0.4529 -1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7679 -1.3123 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3567 -2.0873 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8666 -1.8922 -0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4483 -3.4720 0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1929 -2.6236 1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4574 -3.9347 -0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9233 -2.7171 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8632 -2.9059 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1653 -1.0680 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 0.0133 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0336 0.6831 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2501 1.6586 -1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3878 1.7661 -0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8339 2.9102 0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4468 3.7587 -0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 3.0462 1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5079 0.8228 1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8253 1.7290 1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6399 0.4358 2.3166 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 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 4 1 0 14 9 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 M END