HMDB0035910 RDKit 3D Cedryl acetate 47 49 0 0 0 0 0 0 0 0999 V2000 3.2518 -0.4137 2.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0212 0.0069 1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8454 0.7832 0.7269 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -0.4113 0.5345 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6158 -0.1046 -0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 -0.4987 -1.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3903 1.3759 -0.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1307 1.8468 -0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 0.8506 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 0.1074 -1.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3892 -0.8758 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -1.4653 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5109 -2.3382 0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4941 -2.2902 -0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -0.2317 0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2108 -0.3536 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1428 0.5934 0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3335 1.3935 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3956 2.8810 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8518 0.3657 3.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2587 -0.5483 3.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7636 -1.3951 2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1155 -1.4979 -1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2291 -0.5667 -2.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4808 0.2846 -1.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 1.7045 -1.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 1.9062 -0.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3564 1.8796 0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0951 2.8603 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3063 0.7694 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 -0.4204 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6046 -1.6885 -1.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -2.6729 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 -1.9244 1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 -3.3003 1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -2.6269 -1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -3.2364 -0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4304 -1.7436 -0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1422 0.0925 1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1916 -0.0618 2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5985 -1.4067 1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0162 0.0777 0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6128 1.3311 1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7934 1.2441 -1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4662 3.1496 -0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7827 3.1748 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0177 3.3943 -1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 11 5 1 0 15 9 1 0 18 9 1 0 1 20 1 0 1 21 1 0 1 22 1 0 6 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 19 46 1 0 19 47 1 0 M END