HMDB0000347 RDKit 3D 16b-Hydroxyestradiol 45 48 0 0 0 0 0 0 0 0999 V2000 -2.2990 1.3988 -0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0007 0.4638 0.4246 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2052 1.1099 1.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1851 1.3943 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8089 0.0781 0.5737 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2313 0.1480 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 0.7816 1.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4306 0.8963 0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9827 0.3615 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3546 0.4775 -0.4281 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1609 -0.2816 -1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 -0.3835 -0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -1.0823 -1.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7467 -1.6608 -1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0119 -0.4927 -0.5947 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3219 -0.8212 -0.0237 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3512 -1.3863 -0.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5911 -1.2617 -0.0384 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7297 -1.0265 -0.8055 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 -0.1117 0.9123 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3465 0.8260 0.8296 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8264 1.1840 -1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4056 1.4890 -0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0032 2.4449 -0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 2.0960 1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1591 0.5117 2.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0196 2.0364 0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7929 1.8873 1.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6307 -0.6084 1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 1.2185 2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0677 1.3974 1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 1.2543 -0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5988 -0.6995 -2.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5002 -1.9127 -2.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5606 -0.3550 -2.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1091 -2.2534 -1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -2.2725 -0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 0.3015 -1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1856 -1.4305 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5242 -0.7269 -1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -2.4395 -1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6579 -2.1742 0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4788 -1.4526 -0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2285 -0.4590 1.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 1.5359 1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 16 2 1 0 20 2 1 0 15 5 1 0 12 6 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 1 7 30 1 0 8 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 15 38 1 6 16 39 1 1 17 40 1 0 17 41 1 0 18 42 1 1 19 43 1 0 20 44 1 1 21 45 1 0 M END