HMDB0000380 RDKit 3D 2-Hydroxyestradiol-3-methyl ether 48 51 0 0 0 0 0 0 0 0999 V2000 6.3322 -0.7963 0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4844 -1.2026 -0.1443 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1647 -0.8347 -0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 -0.0267 0.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2689 0.3119 0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5189 -0.1421 -0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 -0.9588 -1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4253 -1.2865 -1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 -2.0980 -2.2527 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1196 0.2912 -0.5560 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6827 -0.3097 -1.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 0.2732 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7216 0.1395 -0.3539 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9770 -1.2949 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9707 0.9355 -0.1905 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0891 0.3306 -0.7507 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0955 1.0271 1.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7142 0.8259 1.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8431 0.8324 0.6978 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5796 0.0629 0.7928 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2858 0.4811 1.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5481 1.1784 1.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 0.2973 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0433 -1.3519 1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3946 -0.8699 0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1245 0.3551 1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4946 -1.3027 -2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -2.4644 -3.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1145 1.3975 -0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1801 -0.0307 -2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7146 -1.4097 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6622 -0.2963 -2.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0582 1.3223 -2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0103 -1.5835 -0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 -1.4844 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2676 -2.0071 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8139 1.9319 -0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4302 0.8922 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7768 0.2339 1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4538 2.0459 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6193 -0.0620 2.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 1.6982 2.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6447 1.8536 0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -1.0512 0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3172 1.0960 2.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5822 -0.4259 2.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1805 1.2882 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3546 2.1881 1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 1 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 8 3 1 0 20 10 1 0 22 5 1 0 19 13 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 7 27 1 0 9 28 1 0 10 29 1 6 11 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 15 37 1 6 16 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 19 43 1 6 20 44 1 1 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 M END