HMDB0062741 RDKit 3D 7alpha-hydroxyestradiol 45 48 0 0 0 0 0 0 0 0999 V2000 -2.0093 -0.0469 -1.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2216 0.4347 -0.1567 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6876 1.8124 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2235 1.8729 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 0.7810 0.3249 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9127 0.7084 -0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4648 1.7939 -0.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 1.7224 -1.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4151 0.5427 -1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6745 0.4731 -2.1845 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8693 -0.5451 -0.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 -0.4710 -0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1053 -1.6779 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8113 -1.5281 1.0710 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9117 -1.1817 2.3935 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0744 -0.5861 0.2698 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4226 -0.4226 0.8356 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2727 -1.6189 0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 -0.9548 1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6091 0.2105 0.2935 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3739 -0.2072 -0.8182 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9082 0.2899 -2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -1.1487 -1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1459 0.4376 -2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9499 2.2023 1.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1932 2.5112 -0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1491 2.8445 0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0315 2.0017 -1.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7758 0.9953 1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9381 2.7309 -1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1204 2.5791 -2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5054 0.6967 -1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4116 -1.4783 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -2.4855 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9064 -2.0569 1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2836 -2.5252 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8643 -1.0969 2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0766 -0.9799 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3654 0.1144 1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3655 -2.2030 0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 -2.2470 1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5589 -0.5527 2.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4612 -1.6364 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1262 1.1035 0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3164 -1.2081 -0.9013 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 14 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 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 1 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