HMDB0036792 RDKit 3D beta-Caryophyllene 39 40 0 0 0 0 0 0 0 0999 V2000 -0.7588 3.1873 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1259 2.0532 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2669 1.8953 -0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0691 1.3597 0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9373 0.2061 0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6178 -0.9482 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 -1.9196 -0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3039 -1.4492 -0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -1.2686 0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 -0.3197 -0.2709 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8269 0.9353 0.5667 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3417 0.9693 0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2737 -0.5087 0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -1.4417 1.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2183 -0.7576 -1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2192 4.0160 -0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7839 3.3694 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 1.3022 -1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6384 2.9189 -0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 2.2502 0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 1.1981 1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 0.4071 0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2008 -1.7954 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5809 -1.7113 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4398 -2.9536 -0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3703 -2.5376 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 -0.9999 -1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -2.2787 0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 -0.9687 1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7556 -0.1847 -1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5325 0.7511 1.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 1.0783 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7594 1.6162 -0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6023 -1.2454 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9132 -1.2998 2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 -2.4720 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4496 -1.8384 -1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6934 -0.4579 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1365 -0.1572 -0.9654 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 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 11 2 1 0 13 10 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 0 7 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 6 11 31 1 1 12 32 1 0 12 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 M END