HMDB0014998 RDKit 3D Prednisolone 54 57 0 0 0 0 0 0 0 0999 V2000 1.5385 -0.5776 -1.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6212 -0.2112 -0.0205 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0168 -1.1680 0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3962 -1.4955 0.5407 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5091 -2.1892 -0.6441 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2144 -0.2645 0.5897 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6420 0.9165 -0.1209 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3449 2.1541 0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8491 2.0647 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3648 0.7289 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4604 0.5811 1.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9998 -0.7435 1.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0543 -0.8589 2.2925 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2979 -1.9092 1.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2112 -1.7443 0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6413 -0.4440 0.0832 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6843 -0.2856 -1.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 1.0947 0.1367 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5544 1.9788 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0148 1.5981 -0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9415 0.3586 0.3931 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7797 0.8621 1.6794 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0962 -0.4955 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -0.6468 1.3587 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6234 -1.2230 -0.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 -1.9332 -0.5389 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4693 -0.1917 -1.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.1372 -2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5228 -1.6616 -1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9666 -0.6790 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5716 -2.1078 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7842 -2.1897 1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3615 -3.1599 -0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3211 0.0281 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 0.9063 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0683 2.2749 1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9751 3.0749 -0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3056 2.7804 1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1881 2.4096 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0091 1.4487 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7076 -2.9068 1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7045 -2.6325 0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8289 -0.7121 -1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7941 0.7699 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5869 -0.8461 -1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9595 1.4191 1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3971 3.0617 -0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 1.8051 -1.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 1.4211 -1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4629 2.4451 0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4971 1.4741 1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 -0.6150 -1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -1.9797 -1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5471 -1.6477 -1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 1 0 4 5 1 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 1 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 4 32 1 1 5 33 1 0 6 34 1 1 7 35 1 6 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 11 40 1 0 14 41 1 0 15 42 1 0 17 43 1 0 17 44 1 0 17 45 1 0 18 46 1 1 19 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 22 51 1 0 25 52 1 0 25 53 1 0 26 54 1 0 M END