HMDB0014773 RDKit 3D Prednisone 52 55 0 0 0 0 0 0 0 0999 V2000 1.7598 1.3740 -0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 -0.1195 -0.2818 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8399 -0.5016 -1.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5884 -0.1117 -1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1205 0.3744 -2.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3701 -0.2922 -0.1976 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4842 0.2253 0.9554 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1466 0.1894 2.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3697 1.1231 2.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2468 0.5472 1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4588 0.1960 1.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3598 -0.3741 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5401 -0.7323 0.6763 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 -0.5339 -0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6036 -0.1591 -1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6877 0.4228 -0.2125 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4749 1.8863 -0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 -0.6230 0.8549 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6675 -0.6476 1.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8278 -1.4309 1.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 -0.8705 -0.0826 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8586 -1.9224 -1.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0837 -0.0259 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2329 0.8987 0.5291 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0940 -0.2729 -1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7689 -1.3556 -2.1082 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8904 1.8608 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 1.6317 -0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8909 1.8624 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 0.0358 -2.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9568 -1.5892 -1.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4834 -1.3747 -0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 1.2696 0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4718 0.6088 3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4696 -0.8163 2.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8944 1.2113 3.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0049 2.0874 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8603 0.3119 2.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 -0.9595 -1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 -0.3315 -2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 1.9650 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 2.5468 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 2.2606 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4697 -1.6688 0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0898 0.3083 2.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3258 -1.2345 2.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 -2.4859 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7663 -1.2798 1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 -2.7037 -0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1161 -0.3205 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0603 0.6344 -1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 -1.0945 -2.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 6 7 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 6 21 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 18 2 1 0 21 2 1 0 16 6 1 0 16 10 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 6 32 1 1 7 33 1 6 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 11 38 1 0 14 39 1 0 15 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 18 44 1 6 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 22 49 1 0 25 50 1 0 25 51 1 0 26 52 1 0 M END