HMDB0039151 RDKit 3D Flavidulol B 41 42 0 0 0 0 0 0 0 0999 V2000 -3.2913 -1.4885 -0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8295 -0.6612 0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3729 -0.5258 0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 -1.1365 1.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 -1.3993 -0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8151 -1.2623 -0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6629 -2.3058 -0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1441 -3.6125 -0.1532 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0018 -2.0924 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4496 -0.7876 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6196 0.2895 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 1.6012 -0.0097 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3961 1.9647 0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3023 0.0442 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2892 1.1280 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 0.9095 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 1.8373 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 2.8364 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5785 1.6387 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -2.0946 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 -1.5973 -0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5069 -0.0855 0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0363 -0.9330 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7359 -0.6996 2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2892 -2.2353 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8989 -2.4548 -0.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8825 -1.1181 -1.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6926 -4.4293 -0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6898 -2.9350 0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4931 -0.5784 0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 1.2738 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5335 2.9929 -0.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5231 2.0510 1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0508 1.1476 -1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7307 2.1006 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6105 1.1999 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9659 2.9764 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1768 3.5259 0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0401 0.9361 -2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 1.3174 -1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6425 2.6615 -1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 3 17 19 1 0 16 3 1 0 14 6 1 0 1 20 1 0 1 21 1 0 2 22 1 0 4 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 18 37 1 0 18 38 1 0 19 39 1 0 19 40 1 0 19 41 1 0 M END