HMDB0006754 RDKit 3D 11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al 58 61 0 0 0 0 0 0 0 0999 V2000 1.8695 0.1528 1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0508 -0.3050 0.1649 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9261 -1.5193 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2381 -1.2029 0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7035 0.2099 0.4677 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1003 0.2935 0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 0.6319 -0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6237 0.8014 -0.6583 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9305 0.9842 -1.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5171 1.4222 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 0.6956 -0.4959 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5191 0.6716 -0.6210 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0922 1.8415 0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 1.1967 1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4317 -0.0330 0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5486 0.2554 -0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4659 0.0234 -1.4893 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8024 0.8378 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8027 1.0295 1.5911 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 -0.5484 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7066 -1.3876 -1.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3856 -2.3634 -1.1268 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4074 -1.3573 0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -1.6654 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 -2.8860 -0.3308 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6462 -0.5974 -0.3835 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0382 1.2684 1.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5199 -0.3456 2.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8149 0.0238 1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0777 -1.8323 -0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 -2.3708 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0283 -1.8845 0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2425 -1.3372 1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3775 0.9126 1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4489 0.5826 1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 1.6258 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -0.1308 -1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5126 1.7723 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 0.1309 -2.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4485 1.8436 -2.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0962 1.1358 -2.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 2.5219 -1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2635 1.3375 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8304 0.8369 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 2.4617 0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7491 2.4823 -0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6517 1.8723 1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1893 0.9636 2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 -0.8291 1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0874 1.7653 -0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6531 0.1247 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0664 0.2492 2.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4337 -1.0857 -2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4257 -0.9097 1.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9524 -2.3414 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5941 -1.8974 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2198 -2.7386 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 -0.9843 -1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 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 2 0 16 18 1 0 18 19 1 0 15 20 1 0 20 21 1 0 21 22 2 0 20 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 8 2 1 0 26 11 1 0 26 2 1 0 20 12 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 1 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 1 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 1 12 44 1 6 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 18 50 1 0 18 51 1 0 19 52 1 0 21 53 1 0 23 54 1 0 23 55 1 0 24 56 1 0 25 57 1 0 26 58 1 6 M END