HMDB0001939 RDKit 3D Medroxyprogesterone 57 60 0 0 0 0 0 0 0 0999 V2000 5.3634 -1.3715 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 -0.3302 0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9614 0.1599 -0.9861 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2148 0.0400 0.6527 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0217 -0.6865 1.8183 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2439 1.5439 0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8404 2.0660 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0757 0.8267 0.5146 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2115 0.7172 -0.1654 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1663 1.8624 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3301 1.5738 -0.8865 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2867 2.6866 -1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9713 0.3342 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2114 0.3922 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8096 -0.8083 0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0269 -1.0748 0.5467 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8589 -1.6710 1.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7602 -2.0315 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1563 -0.8751 -0.2328 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9713 -1.3439 -1.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7939 -0.6028 0.3853 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1808 -1.6964 0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 -1.3980 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0386 -0.0679 -0.2845 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4519 0.5956 -1.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 -1.4194 1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2068 -2.3308 0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4157 -1.0965 0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 -0.1100 2.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9839 2.0774 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4306 1.6568 2.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5222 2.6970 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 2.6851 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 0.3757 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1868 0.5413 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6414 2.7870 -0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5232 1.7980 1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9032 1.2930 -1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8164 3.4479 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1705 2.3178 -1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6541 3.1244 -0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8177 1.3151 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3442 -2.6196 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 -1.0890 2.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1688 -2.8089 -0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0062 -2.5965 1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2044 -2.4295 -1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9662 -1.1493 -2.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6796 -0.8262 -2.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9842 -0.3929 1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4393 -2.1420 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3294 -2.5479 -0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2242 -2.1653 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3275 -1.6108 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0184 -0.1014 -2.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 1.0038 -2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1058 1.4755 -1.4105 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 1 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 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 6 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 6 24 4 1 0 24 8 1 0 21 9 1 0 19 13 1 0 1 26 1 0 1 27 1 0 1 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 1 9 35 1 6 10 36 1 0 10 37 1 0 11 38 1 6 12 39 1 0 12 40 1 0 12 41 1 0 14 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 21 50 1 1 22 51 1 0 22 52 1 0 23 53 1 0 23 54 1 0 25 55 1 0 25 56 1 0 25 57 1 0 M END