HMDB0031383 RDKit 3D (3S,4S,6R,7S)-1,10-Bisaboladiene-3,4-diol 43 43 0 0 0 0 0 0 0 0999 V2000 3.6672 1.7489 -0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0874 0.2909 -0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -0.0042 -0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 -0.4829 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 -1.3819 0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0027 -1.5167 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3266 -0.1464 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 0.2813 1.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -0.1074 -0.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 1.2309 -0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7129 1.4863 -0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7382 0.4389 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1471 0.2007 1.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 0.8665 -1.1236 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2342 -0.8100 -1.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0535 -0.5065 -2.4514 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8703 -1.1973 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5714 2.3928 -0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 1.8076 -1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8505 2.0418 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1175 -0.3468 0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9896 0.7986 -1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 -0.9162 -1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1867 -1.5400 0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5957 -2.4017 1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0401 -0.9347 1.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 -1.7360 -0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2859 -2.2230 0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0759 0.5631 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 1.0814 1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0303 0.7272 1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0802 -0.5830 2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4376 -0.2343 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7389 2.0706 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1097 2.5294 -0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4685 0.7718 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1955 0.5814 1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1823 -0.8778 1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 0.9501 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -1.6468 -1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5014 0.3388 -2.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5433 -2.0886 -1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9654 -1.5170 0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 17 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 13 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 M END