HMDB0014801 RDKit 3D Flumethasone Pivalate 71 74 0 0 0 0 0 0 0 0999 V2000 1.2363 -3.7309 -0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 -2.6675 0.1691 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7083 -2.7631 0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2224 -1.4908 -0.1034 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5640 -1.0297 0.3784 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5904 -2.0563 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0037 -1.6054 0.0274 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7995 -2.4437 -0.7465 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1623 -0.1807 -0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1277 0.1373 -1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3332 1.4898 -1.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2332 1.8326 -2.5367 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3905 2.4790 -1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4373 2.1418 -0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2134 0.8048 0.0726 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4186 0.8486 1.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8306 0.3009 -0.2751 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8551 0.0539 -1.6560 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7576 1.2970 -0.0313 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7330 1.8229 1.2469 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4136 0.7674 -0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1134 -0.5249 0.2514 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1348 -0.3795 1.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0437 -1.2803 -0.3867 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8074 -1.3774 -1.7754 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3535 -0.7323 -0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7078 -0.5881 1.0697 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 -0.3423 -1.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4779 0.1608 -0.6859 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 1.2647 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5448 1.8789 0.4496 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9441 1.6760 0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8314 2.8918 1.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6723 0.5485 1.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7268 2.0831 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -4.7022 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3378 -3.8507 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0643 -3.4093 -1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3143 -2.8643 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9037 -2.9077 1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 -3.6312 -0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2306 -1.5588 -1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -0.9130 1.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5339 -2.9020 0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3492 -2.5408 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4342 -1.6315 1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8083 -0.6344 -1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5158 3.5220 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7995 3.0020 -0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5235 1.0621 1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9219 1.7312 2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2494 -0.1003 2.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9553 2.1724 -0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8816 2.2060 1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3914 1.4900 -0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3832 0.6278 -1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7303 -1.2101 2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 0.5272 1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7646 -0.2849 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 -0.5861 -2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 0.4223 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5217 -1.2112 -1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9228 2.8405 2.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7856 3.7962 0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7370 2.9725 2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9778 -0.2802 1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 0.1385 0.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1097 0.9268 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6370 3.1812 -0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3249 1.5193 -1.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7929 1.7941 -0.5774 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 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 24 2 1 0 22 4 1 0 17 5 1 0 15 9 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 1 3 40 1 0 3 41 1 0 4 42 1 6 5 43 1 1 6 44 1 0 6 45 1 0 7 46 1 1 10 47 1 0 13 48 1 0 14 49 1 0 16 50 1 0 16 51 1 0 16 52 1 0 19 53 1 6 20 54 1 0 21 55 1 0 21 56 1 0 23 57 1 0 23 58 1 0 23 59 1 0 25 60 1 0 28 61 1 0 28 62 1 0 33 63 1 0 33 64 1 0 33 65 1 0 34 66 1 0 34 67 1 0 34 68 1 0 35 69 1 0 35 70 1 0 35 71 1 0 M END