HMDB0000319 RDKit 3D 18-Hydroxycorticosterone 56 59 0 0 0 0 0 0 0 0999 V2000 -2.3581 -1.4979 0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4418 0.0174 0.5625 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1926 0.2883 1.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 1.6430 1.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 1.5930 0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0619 1.8608 1.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3503 1.1942 -0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 0.4841 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7219 0.1775 -1.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 0.7333 -2.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 0.0847 -0.9283 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1135 0.6769 0.3774 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1192 0.6727 1.4418 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5634 0.6997 2.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9332 -0.4072 1.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5747 -0.6300 0.0689 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5244 -2.0198 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 -2.9069 0.4403 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9575 -0.0656 -0.1061 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0320 -0.6143 0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8213 -1.4545 1.5295 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4709 -0.2183 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6652 0.7371 -0.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -0.1008 -1.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 0.0829 -2.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8897 0.3474 -0.9181 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4062 -1.9257 0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6233 -1.8749 -0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 -1.9836 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0886 -0.4254 1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7169 -0.0183 2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1699 2.4769 1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3726 1.7150 2.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8835 1.4966 -1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3372 0.6870 -2.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6939 -0.8676 -2.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8754 0.4948 -3.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3709 1.8104 -1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8456 -0.9797 -0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3543 1.7521 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 1.6351 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8578 1.5938 3.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 -0.0607 2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6086 -1.3618 1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5068 -2.4231 -0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0451 -2.1643 -1.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6568 -3.6133 -0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8422 1.0492 0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7810 0.2365 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1306 -1.0733 0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5443 1.1747 -0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 0.7697 -1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -0.9906 -2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 0.9485 -2.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3171 -0.8137 -2.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1134 1.3579 -0.5469 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 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 17 18 1 0 16 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 19 24 1 0 24 25 1 0 25 26 1 0 8 2 1 0 26 11 1 0 12 2 1 0 26 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 7 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 1 12 40 1 6 13 41 1 6 14 42 1 0 15 43 1 0 15 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 19 48 1 1 22 49 1 0 22 50 1 0 23 51 1 0 24 52 1 0 24 53 1 0 25 54 1 0 25 55 1 0 26 56 1 1 M END