HMDB0036083 RDKit 3D Carveol 27 27 0 0 0 0 0 0 0 0999 V2000 -2.8987 0.8213 0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -0.2396 0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8764 -1.5317 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 -0.1901 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -0.7727 -1.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2611 -1.0441 -0.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 -0.0563 -0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3934 -0.3169 0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3109 1.2555 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0628 1.9315 0.9843 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1093 1.1333 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0028 0.7754 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4829 1.7905 0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 -2.3640 0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9332 -1.5302 0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -1.7922 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3722 -0.9175 0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2338 -0.0080 -1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 -1.7002 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7445 -1.9884 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 0.5869 0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -0.6934 -0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3889 -1.1609 0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 1.8900 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4217 2.8002 0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 1.9984 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 1.3233 1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 4 1 0 1 12 1 0 1 13 1 0 3 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 M END