HMDB0000313 RDKit 3D 16b-Hydroxyestrone 43 46 0 0 0 0 0 0 0 0999 V2000 -2.1711 -0.6700 1.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 -0.6129 0.2561 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6898 -1.8215 -0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2318 -1.9129 -0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5282 -0.6954 -0.5707 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9373 -0.7216 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6065 -1.8304 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9451 -1.8039 0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 -0.6311 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 -0.5356 0.7325 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0072 0.4712 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6492 0.4509 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 1.6797 -0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5564 1.7329 -0.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 0.5939 -0.0150 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5110 0.5756 -0.3248 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3271 1.7172 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7372 1.2183 -0.1084 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6303 1.6631 0.8481 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6453 -0.2863 -0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -0.9986 -0.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6829 0.2277 2.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 -0.7305 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -1.5428 2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1885 -2.7584 -0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8161 -1.6717 -1.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 -2.7708 -0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0998 -2.1611 0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 -0.6132 -1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 -2.7660 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4608 -2.6700 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3149 -0.2728 1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5835 1.3986 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 1.8416 -1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4416 2.5625 -0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1416 1.7114 -1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1867 2.7093 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1428 0.6735 1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6283 0.4899 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1603 2.0292 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 2.6407 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0201 1.5109 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9345 2.5794 0.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 2 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 6 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 1 16 39 1 6 17 40 1 0 17 41 1 0 18 42 1 6 19 43 1 0 M END