HMDB0000338 RDKit 3D 2-Hydroxyestradiol 45 48 0 0 0 0 0 0 0 0999 V2000 -2.4679 1.5389 -0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1785 0.5634 0.5693 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2644 1.1355 1.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1623 0.8123 1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -0.2763 0.5597 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9942 -0.1630 0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9141 0.3212 1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2661 0.4610 0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1651 0.9523 1.6527 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6299 0.0874 -0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9549 0.1986 -0.9463 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6895 -0.4055 -1.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3621 -0.5354 -1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4116 -1.0622 -2.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 -1.6060 -1.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3669 -0.4791 -0.6035 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6638 -0.7676 0.0600 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7733 -1.2460 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9934 -0.8584 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 0.0954 1.1207 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4397 1.1304 1.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3359 1.1365 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7807 2.4285 -0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5007 1.9560 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3934 2.2595 1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.8651 2.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5482 0.5807 2.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7642 1.7239 1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5253 -1.2404 1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6231 0.6196 2.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1489 1.0866 1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6814 0.5425 -0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0029 -0.6964 -2.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 -1.8902 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1004 -0.2243 -2.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 -2.4738 -0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 -1.8193 -2.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3701 0.4435 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5465 -1.4161 0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7929 -0.8369 -1.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7168 -2.3723 -0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7627 -0.3873 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3761 -1.7560 0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3785 -0.4142 2.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0355 1.9880 1.5038 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 1 0 8 10 2 0 10 11 1 0 10 12 1 0 12 13 2 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 19 20 1 0 20 21 1 0 17 2 1 0 20 2 1 0 16 5 1 0 13 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 9 31 1 0 11 32 1 0 12 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 15 37 1 0 16 38 1 6 17 39 1 1 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 20 44 1 1 21 45 1 0 M END