HMDB0034735 RDKit 3D Abietinal 51 53 0 0 0 0 0 0 0 0999 V2000 5.1965 0.3008 -0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4911 -0.6051 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0496 -0.2172 1.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0339 -0.3664 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2144 -1.3697 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7851 -1.0910 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0637 -2.0286 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5337 -1.8976 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9659 -0.5780 -0.5356 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4123 -0.3703 -0.3841 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0415 -1.2147 0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1035 -0.8728 -1.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1523 -0.3978 -2.0302 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8875 1.0262 -0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9272 1.9183 0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 1.8373 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 0.4806 -0.0041 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7940 0.3577 1.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2868 0.2337 -0.6894 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2855 1.3055 -0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5126 0.9763 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1551 -0.1393 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3984 1.2938 -0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 0.4688 -1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7482 -1.6595 -0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8423 -1.0430 2.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1619 -0.1108 1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 0.7434 1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6013 -2.3911 -0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3027 -3.0189 0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8553 -1.9775 1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9226 -2.7573 -0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7246 -0.6723 -1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -2.2735 0.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1583 -1.1360 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8687 -0.7742 1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6784 -1.6801 -2.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8608 1.0328 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1342 1.4901 -1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7786 1.7054 1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2756 2.9723 0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 1.9581 -1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0235 2.6811 0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6269 1.3775 1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1683 -0.1907 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5713 -0.1688 2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 0.0776 -1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 1.5363 -1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9372 2.2872 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3134 1.7149 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2803 1.2263 1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 6 12 13 2 0 10 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 1 17 19 1 0 19 20 1 0 20 21 1 0 21 4 1 0 19 6 1 0 17 9 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 5 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 6 11 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 18 44 1 0 18 45 1 0 18 46 1 0 19 47 1 6 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 M END