HMDB0061064 RDKit 3D 2-beta-hydroxymedroxyprogesterone 58 61 0 0 0 0 0 0 0 0999 V2000 5.3158 1.5713 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5047 0.5461 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 0.1796 1.1446 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 0.0200 -0.5163 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0212 0.5451 -1.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2983 -1.4830 -0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8753 -1.9567 -0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1203 -0.6564 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 -0.7138 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7728 -1.9269 0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2898 -1.7539 0.8438 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9361 -3.0102 0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7425 -0.5768 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5207 -0.7560 -0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9545 0.3852 -1.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9625 0.3177 -2.4439 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1957 1.6320 -1.6180 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0276 2.6780 -2.0209 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 1.9063 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 0.7366 0.5522 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8752 0.8709 1.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 0.5551 0.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0761 1.7079 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 1.5937 0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0322 0.2123 0.3673 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3903 -0.2834 1.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2513 2.5588 -0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3907 1.2916 -0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 1.6395 -1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1892 -0.1158 -2.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0096 -1.9628 0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 -1.7387 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5339 -2.5796 -1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -2.5451 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2119 -0.3042 -1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9363 -0.6635 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2824 -2.0918 1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5413 -2.8167 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5346 -1.6614 1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0317 -2.9967 0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -3.2237 -0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5645 -3.8668 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8437 -1.7711 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3808 1.5826 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4931 3.0945 -1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9137 2.7213 -0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5274 2.4594 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 0.3427 2.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9239 0.5707 1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8519 1.9497 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5571 0.3025 1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 1.8556 -0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 2.6043 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0548 2.1196 -0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 2.2047 1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0983 -1.1328 1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9258 0.5165 2.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5329 -0.6841 2.3054 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 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 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 13 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 11 39 1 1 12 40 1 0 12 41 1 0 12 42 1 0 14 43 1 0 17 44 1 6 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