HMDB0005821 RDKit 3D beta-Cortol 62 65 0 0 0 0 0 0 0 0999 V2000 2.7594 1.8198 1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 0.4917 0.5134 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8676 -0.5785 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2423 -0.9798 1.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0934 -0.0999 0.3906 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2566 -0.8501 0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4169 0.2483 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9421 0.4565 -0.8453 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3265 -0.4657 -1.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1872 -1.2871 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2425 -0.2866 -0.7371 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8394 0.3075 0.5346 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0177 1.5325 0.8408 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0122 2.5087 -0.0983 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 1.0994 1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 0.3811 -0.0997 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3294 1.2139 -1.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0908 -0.7935 -0.4224 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8524 -1.5355 -1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 -1.4690 -0.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2443 -0.4234 0.2513 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0882 -1.1275 1.4283 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5139 0.3504 0.1459 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6887 1.3184 1.1187 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6562 -0.6714 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6827 -1.2862 1.4861 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0241 2.6122 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6679 2.2306 0.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0572 1.7095 2.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7392 -0.1666 2.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1801 -1.4781 1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7786 -1.1291 2.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 -2.0104 0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5215 0.7712 0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8892 -0.2533 -0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 1.1469 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7032 -0.5441 -1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7719 1.5024 -1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 0.0608 -2.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -1.2000 -2.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6605 -1.7043 -2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4359 -2.1334 -0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1621 0.5506 -1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4905 -0.4110 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3209 1.8721 1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6095 2.4423 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5515 0.5600 2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9966 2.0711 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0109 2.0272 -0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4802 1.7156 -1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8974 0.6057 -2.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0415 -1.3929 0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5521 -2.6230 -1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7776 -1.2000 -2.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 -2.4505 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9048 -1.1397 -1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1887 -0.6267 2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5905 0.7419 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 1.1473 1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5932 -1.3305 -0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5899 -0.0561 0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0416 -0.6432 2.1520 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 1 0 5 6 1 0 5 7 1 0 7 8 1 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 21 22 1 1 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 8 2 1 0 18 11 1 0 12 2 1 0 21 16 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 0 4 33 1 0 5 34 1 1 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 6 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 6 12 44 1 1 13 45 1 1 14 46 1 0 15 47 1 0 15 48 1 0 17 49 1 0 17 50 1 0 17 51 1 0 18 52 1 1 19 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 22 57 1 0 23 58 1 6 24 59 1 0 25 60 1 0 25 61 1 0 26 62 1 0 M END