HMDB0005896 RDKit 3D 4-Hydroxyestradiol 45 48 0 0 0 0 0 0 0 0999 V2000 -2.5345 -1.2843 0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3566 -0.3108 -0.3547 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7836 -0.9387 -1.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3858 -1.4357 -1.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4816 -0.3076 -0.8810 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8946 -0.6179 -0.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4665 -1.7468 -1.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 -1.9371 -1.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6228 -1.0296 -0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9839 -1.2715 -0.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0477 0.1325 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9201 0.9914 0.6583 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6988 0.3201 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0196 1.5217 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8078 1.0228 1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1147 0.1827 0.4277 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3826 0.8197 0.0108 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1490 1.5783 1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 1.7565 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 0.4758 -0.5895 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7494 -0.1679 -0.1253 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6321 -1.5431 0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2521 -0.9335 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 -2.2414 0.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4269 -1.7907 -1.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7485 -0.1439 -2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3497 -2.2913 -0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0195 -1.7363 -2.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3722 0.5136 -1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -2.4623 -1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2463 -2.8335 -1.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5771 -0.6081 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5774 1.8436 1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6174 2.0869 1.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5959 2.1665 -0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 0.4342 2.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2842 1.8809 1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3601 -0.7560 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2794 1.4203 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6972 2.5824 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3104 1.0945 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 2.5801 -0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3084 1.9102 0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6645 0.7093 -1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2478 0.3642 0.5398 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 1 0 11 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 6 7 30 1 0 8 31 1 0 10 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 1 17 39 1 6 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 20 44 1 6 21 45 1 0 M END