HMDB0061063 RDKit 3D 6-beta-hydroxymedroxyprogesterone 58 61 0 0 0 0 0 0 0 0999 V2000 5.2780 1.4898 -0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5242 0.2733 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9999 -0.4573 0.9128 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -0.0199 -0.5688 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9912 0.9714 -1.5391 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2434 -1.3363 -1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -1.5600 -1.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2127 -1.1750 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2497 -0.9348 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -1.3171 1.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2673 -1.5472 1.0480 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6113 -2.7579 0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7756 -1.7229 2.3352 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -0.2888 0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1471 -0.1352 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8754 1.0180 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9715 1.3379 0.6104 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2445 1.8078 -0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9368 1.1951 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0839 0.7710 -0.1843 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0536 2.0003 0.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 0.4204 -0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3106 1.5130 -0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 1.2322 0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0678 -0.1019 0.3978 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5612 -0.5021 1.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3751 1.3231 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9803 1.7660 -1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9929 2.3644 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 0.7211 -2.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6199 -2.1594 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8106 -1.2439 -2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3429 -0.9723 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5944 -2.6270 -1.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3755 -2.1051 0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 -1.7258 -0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3137 -2.2757 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6182 -0.5968 1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7693 -3.3017 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2578 -2.4207 -0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2063 -3.5085 0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 -2.4445 2.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7461 -0.9106 1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9315 1.7776 -1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1178 2.8676 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1523 0.2723 -1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 1.9536 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2427 1.9327 1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9913 2.0064 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0963 2.9400 0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 0.3137 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8384 1.8056 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1398 2.4814 -0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0978 1.4499 1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 2.0035 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0901 -1.4733 1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2369 0.2324 2.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6986 -0.6196 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 6 4 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 1 0 11 13 1 1 11 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 1 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 1 25 4 1 0 25 8 1 0 22 9 1 0 20 14 1 0 1 27 1 0 1 28 1 0 1 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 12 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 15 43 1 0 18 44 1 0 18 45 1 0 19 46 1 0 19 47 1 0 21 48 1 0 21 49 1 0 21 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 24 54 1 0 24 55 1 0 26 56 1 0 26 57 1 0 26 58 1 0 M END