HMDB0302722 RDKit 3D Thujopsene 39 41 0 0 0 0 0 0 0 0999 V2000 3.3476 1.8518 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 0.9916 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -0.1114 -0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5759 -0.9747 -1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4072 -1.0199 -0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9065 -1.6913 0.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6601 -1.9101 -0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8509 -2.0561 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1097 -0.8814 0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5209 0.4045 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4619 0.9913 -0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5313 1.3908 1.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1276 0.3487 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1212 1.4314 -1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8709 1.3845 0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 2.9222 0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 1.5672 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3141 1.6860 0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6578 -0.3367 -0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -2.0223 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2979 -0.7291 -2.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6623 -2.4579 0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1293 -2.2780 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 -1.0271 1.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2011 -2.9197 -1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9361 -1.5726 -1.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 -2.2858 -0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7668 -2.9591 0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 -0.7347 0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8846 -1.0813 1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1621 0.6956 -1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4865 0.6101 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4941 2.0871 -0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 2.3953 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5239 1.4374 2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6974 1.2194 2.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6367 1.1837 -2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5657 2.2793 -1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6532 2.1714 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 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 10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 2 1 0 13 5 1 0 15 13 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 6 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 11 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 M END