HMDB0061092 RDKit 3D fluticasone 17beta-carboxylic acid 54 57 0 0 0 0 0 0 0 0999 V2000 4.0652 -0.6418 -1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -0.8852 -0.6711 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7085 -1.0070 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7302 -0.6829 -0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 0.2309 -0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -0.2068 -2.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9054 -1.3044 -1.8195 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4101 -1.8108 -2.9716 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9778 -0.5201 -1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1393 -0.3172 -1.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1576 0.4339 -0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3034 0.6557 -1.3637 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8381 0.9530 0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6517 0.7104 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5628 -0.0452 0.2854 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4825 -1.3032 1.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 0.7653 0.1814 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7590 1.9642 -0.4448 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 1.1900 1.4192 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7723 0.4110 2.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8617 1.3792 1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5251 0.0761 0.8282 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7706 -0.8057 2.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.3567 0.1672 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7133 1.4735 -0.6714 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9796 0.5228 1.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3428 -0.3343 1.9338 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6932 1.7120 1.0547 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9462 0.3803 -2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8302 -1.3363 -2.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0732 -0.8687 -1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3642 -1.7346 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7061 -0.2387 -2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5338 -2.0145 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4007 -1.6345 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3203 1.1630 -1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4723 0.6627 -2.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1729 -0.4677 -2.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4705 -2.0902 -1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3724 -0.7174 -2.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5758 1.5367 1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4645 1.1374 1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -2.0688 0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -1.7720 0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4936 -1.0771 2.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9828 2.2245 1.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0432 0.8833 3.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2499 1.6687 2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0643 2.2065 0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8331 -1.2676 2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2168 -0.2558 2.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4414 -1.6358 1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 1.8981 -0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6036 2.4485 1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 1 15 17 1 0 17 18 1 6 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 1 22 24 1 0 24 25 1 6 24 26 1 0 26 27 2 0 26 28 1 0 24 2 1 0 22 4 1 0 17 5 1 0 15 9 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 1 3 33 1 0 3 34 1 0 4 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 1 10 40 1 0 13 41 1 0 14 42 1 0 16 43 1 0 16 44 1 0 16 45 1 0 19 46 1 1 20 47 1 0 21 48 1 0 21 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 25 53 1 0 28 54 1 0 M END