HMDB0061027 RDKit 3D 2-hydroxyethinylestradiol 47 50 0 0 0 0 0 0 0 0999 V2000 5.3529 0.7834 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4602 0.1925 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3465 -0.5222 -0.7008 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7157 -1.8244 -0.9379 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 0.1853 -1.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6984 0.7914 -1.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3986 0.7604 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0964 0.7383 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6046 2.1092 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 2.1514 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7499 0.9075 0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1321 0.8968 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8827 -0.1855 0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2765 -0.1858 0.6654 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1939 -1.3087 1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8928 -2.4505 1.5204 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -1.3058 1.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0694 -0.2124 0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5657 -0.2499 0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 -1.6456 0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3189 -1.7127 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 -0.4305 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5692 -0.2261 1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1492 1.2911 1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3029 -1.8271 -1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 -0.4966 -2.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7908 1.0171 -2.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 0.1000 -2.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6661 1.8183 -2.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 1.6836 0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6178 0.4807 -1.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0332 2.9151 -0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5325 2.1248 1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5756 3.0686 0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1324 2.1450 -1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6734 1.7793 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7401 0.6565 0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9027 -2.4390 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3193 -2.2097 1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 0.0849 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7673 -2.0552 -0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2715 -2.2662 1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3945 -2.0523 -1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8589 -2.4845 0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9107 -0.7060 2.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 -0.7256 1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7222 0.8412 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 3 2 1 1 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 3 1 0 22 7 1 0 19 8 1 0 18 11 1 0 1 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 12 36 1 0 14 37 1 0 16 38 1 0 17 39 1 0 19 40 1 0 20 41 1 0 20 42 1 0 21 43 1 0 21 44 1 0 23 45 1 0 23 46 1 0 23 47 1 0 M END