HMDB0252329 RDKit 3D Fludrocortisone acetate 61 64 0 0 0 0 0 0 0 0999 V2000 7.4257 -0.7947 -1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1254 -0.8753 -0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 -1.4271 -1.1524 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8834 -0.3927 0.7305 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6693 -0.4551 1.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5554 0.2453 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8338 0.7728 -0.3465 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2227 0.2618 1.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 -0.4291 2.5378 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8825 1.7113 1.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 1.7886 1.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4233 1.0215 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 0.8059 -0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 2.1291 -0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8445 1.9908 -1.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6295 0.7974 -1.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6971 0.5240 -1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4998 -0.6269 -1.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2714 -1.1882 -2.3299 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3642 -1.1171 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8781 -1.2950 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1576 0.0356 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3874 0.7564 1.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6889 -0.3420 -0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8183 -1.2322 -1.3559 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 -1.1469 0.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6476 -2.4818 0.6983 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2703 -1.2410 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1284 -0.2363 0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7085 -0.8361 -0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2026 -0.5526 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6716 -1.8075 -1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4151 -0.0923 -2.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8171 0.1013 2.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3896 -1.4856 1.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4831 -1.3773 2.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4071 2.3920 0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0486 1.9444 2.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 2.8373 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1869 1.2924 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 1.5853 -0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5712 0.6772 -1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7956 2.5725 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9369 2.8394 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5049 1.8525 -2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4567 2.9037 -1.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9687 1.1407 -2.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9152 -2.0346 0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6941 -0.3223 0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4701 -1.9869 -0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7988 -1.7230 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5403 1.0081 1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9025 1.7296 1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1304 0.2368 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7193 -0.8421 1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0342 -3.1168 1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4695 -1.1750 2.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6939 -2.2569 0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0269 -0.0718 -1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8737 -1.3970 -1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4839 -1.5943 -0.6302 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 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 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 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 29 8 1 0 29 12 1 0 24 13 1 0 22 16 1 0 1 31 1 0 1 32 1 0 1 33 1 0 5 34 1 0 5 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 17 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 23 52 1 0 23 53 1 0 23 54 1 0 26 55 1 0 27 56 1 0 28 57 1 0 28 58 1 0 30 59 1 0 30 60 1 0 30 61 1 0 M END