HMDB0038155 RDKit 3D beta-Bourbonene 39 41 0 0 0 0 0 0 0 0999 V2000 -2.2555 2.7001 0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0748 1.4597 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6151 0.8330 -1.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8289 -0.5942 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -0.9109 0.3554 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2986 0.4288 0.7813 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0181 0.0543 0.1046 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1991 -0.0296 1.0013 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4053 0.7133 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1942 2.1755 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 0.1368 -0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -1.4969 1.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 -2.1256 1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4981 -1.3431 -0.0065 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3000 -2.0219 -1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8355 3.4326 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8062 3.0438 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9102 0.9089 -2.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5567 1.3128 -1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 -1.3032 -1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8681 -0.6312 -0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3129 -1.5098 1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1741 0.5725 1.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 0.6260 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 0.3384 2.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1985 0.5906 1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 2.6425 0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7904 2.6855 1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5556 2.4351 -0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 -0.7821 -0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 0.0549 -1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 0.9040 -1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0671 -1.7198 2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0671 -1.8906 0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -3.2037 0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 -1.8798 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5314 -3.1008 -1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7954 -1.9331 -1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8472 -1.5727 -2.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 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 1 0 9 10 1 0 9 11 1 0 8 12 1 0 12 13 1 0 13 14 1 0 14 15 1 6 6 2 1 0 14 7 1 0 14 5 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 1 6 23 1 1 7 24 1 6 8 25 1 1 9 26 1 0 10 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 M END