HMDB0032530 RDKit 3D Thujyl alcohol 29 30 0 0 0 0 0 0 0 0999 V2000 -2.6802 -0.8923 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8038 -0.1104 0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4569 1.2399 0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4459 -0.0323 -0.0993 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2012 -1.3535 -0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 -0.9992 -0.7702 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4969 -2.0535 -0.6428 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9455 0.1024 0.2144 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9829 0.9811 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6245 0.8361 0.4127 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0765 1.1753 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7499 -0.7341 -0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3682 -1.9503 -0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -0.5430 -1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8272 -0.6490 1.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 1.0958 1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8763 1.5413 -0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 2.0044 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3647 -1.8564 -1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2688 -1.9900 0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 -0.5875 -1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0822 -2.9372 -0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3473 -0.2942 1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4104 1.6941 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 1.4879 -1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.3131 -0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 1.4535 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3835 1.0097 -1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 2.0483 -0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 2 1 1 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 4 1 0 11 4 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 5 19 1 0 5 20 1 0 6 21 1 6 7 22 1 0 8 23 1 1 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 1 11 28 1 0 11 29 1 0 M END