HMDB0012782 RDKit 3D 4-Methoxy-17beta-estradiol 48 51 0 0 0 0 0 0 0 0999 V2000 5.0790 2.0587 -0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3437 1.3719 0.6642 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 0.1990 0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2178 -1.0584 0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5398 -1.1269 0.9405 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -2.1967 0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -2.0993 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 -0.8651 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3449 0.2561 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6691 1.5705 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3626 1.5553 0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4687 0.3377 0.3365 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1819 -0.5973 -0.6949 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6439 -1.8262 -0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0129 -1.4306 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6535 -0.5528 -0.3505 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8645 -1.2113 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9488 0.0708 -0.7903 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0272 -0.7781 -0.7092 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0581 1.2570 0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6392 1.5933 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7859 0.7082 -0.2349 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7403 2.7847 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3537 2.5636 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6830 1.2955 -0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0415 -1.9825 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9049 -3.1743 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5318 -2.9659 -0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5376 1.7253 -1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2805 2.4018 0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1996 2.4864 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5861 1.7215 1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5342 -0.2691 1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1747 -0.0370 -1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1376 -2.4569 -1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6764 -2.4213 0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -2.3106 -1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8493 -0.8306 -2.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9673 -1.2964 1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4645 -0.6018 1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4878 -2.2440 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7961 0.4386 -1.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7864 -0.3483 -1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6099 0.9252 1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5455 2.1265 -0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5098 1.5010 1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4425 2.6556 0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6464 1.0772 -1.2585 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 9 3 1 0 22 12 1 0 13 8 1 0 22 16 1 0 1 23 1 0 1 24 1 0 1 25 1 0 5 26 1 0 6 27 1 0 7 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 1 13 34 1 6 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 18 42 1 6 19 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 22 48 1 6 M END