HMDB0011651 RDKit 3D 11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid 57 60 0 0 0 0 0 0 0 0999 V2000 1.4353 -1.4280 -1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -0.5056 -0.2724 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7402 -0.9436 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 -0.8494 0.9409 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2053 -2.1635 1.1949 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 -0.3218 -0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5745 0.9485 -0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0528 2.0305 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4905 2.3489 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2593 1.0878 0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3217 1.1151 1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 -0.1055 1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3209 -0.0927 1.4447 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2851 -1.3735 1.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 -1.3353 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7738 -0.0995 -0.4027 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0162 0.2221 -1.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8932 0.8914 -0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 1.2247 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 0.7559 -1.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8752 -0.0666 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 -1.1872 0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3201 -2.3181 0.1883 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2085 -1.0277 0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7373 0.3275 0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 0.7035 -0.8553 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 1.2468 1.3147 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 -1.5981 -1.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8825 -1.0956 -2.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 -2.4503 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1367 -1.9536 1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1134 -0.2832 1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1366 -0.2391 1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7548 -2.8190 0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1329 -1.1364 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8741 1.3179 -1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8294 1.7266 1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 2.9036 0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7285 2.8680 -0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7396 3.0507 0.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6567 2.0327 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0059 -2.2257 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6676 -1.3850 2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4043 -1.4602 -0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9683 -2.2734 -0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0568 1.2934 -2.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2549 -0.2197 -2.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9975 -0.2040 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 1.5262 0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4767 0.8034 -2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7164 2.3387 -1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6797 0.2204 -2.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6509 1.7186 -0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 0.6576 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5255 -1.4005 1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7286 -1.6860 -0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7707 0.8867 2.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 6 7 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 18 2 1 0 21 2 1 0 16 6 1 0 16 10 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 4 33 1 1 5 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 11 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 17 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 20 53 1 0 21 54 1 0 24 55 1 0 24 56 1 0 27 57 1 0 M END