HMDB0060783 RDKit 3D 6-beta-Hydroxy-mometasone furoate 66 70 0 0 0 0 0 0 0 0999 V2000 3.3046 -2.1995 -1.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9906 -2.2098 -0.7349 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9079 -1.4764 -1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -0.5456 -0.5186 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1882 -0.4363 -0.5436 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7628 -0.0234 -1.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7412 -1.1383 -2.7173 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1396 0.4968 -1.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6099 1.1267 -0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5007 2.0848 -0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9682 2.7060 0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8392 3.6444 0.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4288 2.2443 1.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5267 1.2774 1.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9984 0.6080 0.6798 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5345 -0.8342 0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5405 0.7060 0.4290 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3030 2.1945 -0.5895 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5938 0.8165 1.5354 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0372 1.3959 2.7023 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1324 -0.4651 1.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6572 -1.2459 0.8053 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0206 -2.6099 0.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1191 -1.3087 0.5413 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5887 -0.1199 -0.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 1.0437 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9065 1.1327 1.7901 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 2.2069 -0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 2.2986 -1.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 3.5619 -1.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1659 4.1989 -0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8022 3.3571 0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9805 -1.8946 1.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0273 -1.2413 1.7727 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8185 -3.1072 2.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 -3.3219 3.4455 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1244 -2.3556 -2.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8937 -3.0752 -1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 -1.2991 -1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7246 -3.2127 -0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2562 -2.1242 -2.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 -0.8327 -2.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7355 0.4622 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6313 -1.3685 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0726 0.7575 -2.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3482 -0.8678 -3.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 1.2333 -2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9124 -0.2871 -2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9192 2.4478 -1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7999 2.7261 2.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2054 0.9836 2.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6297 -1.2785 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 -1.4393 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6162 -0.6922 1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 1.4960 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2166 2.3726 2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6811 -1.0907 2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8132 -0.2031 2.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9887 -2.5075 1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5728 -3.4279 1.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2999 -2.9100 -0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3313 1.5239 -2.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2408 3.9737 -2.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5189 5.2236 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -4.0531 1.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9471 -3.0982 3.0522 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 6 8 1 0 8 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 6 22 24 1 0 24 25 1 6 25 26 1 0 26 27 2 0 26 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 24 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 24 2 1 0 32 28 1 0 22 4 1 0 17 5 1 0 15 9 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 1 3 41 1 0 3 42 1 0 4 43 1 1 5 44 1 1 6 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 10 49 1 0 13 50 1 0 14 51 1 0 16 52 1 0 16 53 1 0 16 54 1 0 19 55 1 6 20 56 1 0 21 57 1 0 21 58 1 0 23 59 1 0 23 60 1 0 23 61 1 0 29 62 1 0 30 63 1 0 31 64 1 0 35 65 1 0 35 66 1 0 M END