HMDB0061016 RDKit 3D 16α-hydroxyprednisolone 55 58 0 0 0 0 0 0 0 0999 V2000 -3.0219 0.2441 -1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7652 0.4295 -0.4179 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4493 1.6552 -0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5115 1.8033 0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1265 0.6316 1.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1432 0.7260 1.9609 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4623 -0.6428 0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4068 -0.7400 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7881 -2.1013 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -2.0200 0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6514 -0.9329 -0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2786 0.4415 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5232 1.4408 -0.9409 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3741 1.2398 -2.2766 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 1.5933 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5696 0.2820 -0.3268 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0283 -0.2373 -1.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7041 -0.7827 0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6136 -1.9250 0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9393 -1.2523 0.7557 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1464 -1.5711 2.1174 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6919 0.2335 0.7136 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0621 0.6185 1.9223 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 1.0919 0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0645 1.9737 1.3057 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7378 1.0651 -0.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7295 2.0263 -0.5103 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5621 -0.6442 -2.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 1.1206 -2.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 0.1635 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0226 2.5974 -0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9269 2.8153 0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8993 -1.5636 1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 -2.8846 0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -2.3340 -1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8726 -2.9769 0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 -1.8983 1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5396 -1.2693 -1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 0.7427 0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0123 2.4435 -0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4205 0.3553 -2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4259 2.2408 -1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8821 2.0929 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3591 -1.0844 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 -0.7602 -1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1056 0.5339 -2.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -0.4215 1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 -2.6800 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7685 -2.4622 -0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7626 -1.6170 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8235 -2.2683 2.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 0.3021 2.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2456 1.2589 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 0.0745 -0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4811 2.8324 -1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 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 13 15 1 0 15 16 1 0 16 17 1 6 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 1 22 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 8 2 1 0 18 11 1 0 12 2 1 0 22 16 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 4 32 1 0 7 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 13 40 1 6 14 41 1 0 15 42 1 0 15 43 1 0 17 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 20 50 1 6 21 51 1 0 23 52 1 0 26 53 1 0 26 54 1 0 27 55 1 0 M END