HMDB0000268 RDKit 3D Tetrahydrocorticosterone 59 62 0 0 0 0 0 0 0 0999 V2000 1.9788 0.3730 1.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 0.4145 0.1531 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2903 1.5729 -0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 1.5411 -0.2896 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4712 2.1688 0.9374 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8312 0.2249 -0.4676 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0084 -0.9671 -0.1044 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6041 -2.1490 -0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0686 -2.2005 -0.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8794 -1.0791 -0.4370 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6742 -0.4971 -1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8868 0.2613 -1.1027 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1405 1.2707 -2.0379 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4947 0.8982 0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0308 1.2822 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1473 0.0553 0.2220 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9885 -0.2307 1.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 -0.8255 -0.5066 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3227 -1.9101 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6982 -1.2332 -0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4133 0.2527 -0.3453 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3624 1.0251 0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0652 1.7498 1.3807 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8311 0.9611 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9895 0.0983 -0.9337 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1302 -0.1583 2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 -0.0909 2.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8899 1.4339 2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7016 2.5038 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5274 1.6476 -1.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6159 2.2503 -1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4826 3.1470 0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0517 0.1104 -1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0677 -1.2429 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1412 -3.0612 -0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1486 -2.1224 -1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -3.1283 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3673 -2.4807 -1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -1.4051 0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0371 -1.3603 -2.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9994 0.1507 -2.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7898 -0.3540 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2282 2.1626 -1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 0.2236 1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1053 1.8302 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8687 1.9692 1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8069 1.8039 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2036 0.3514 2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8716 -1.3135 1.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9398 0.0508 2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4629 -0.6641 -1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -2.6933 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 -2.3458 0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -1.4604 0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2829 -1.6132 -1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4195 0.5349 -1.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4016 0.5492 0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2162 1.9868 -0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9027 -0.2695 -0.8872 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 4 6 1 0 6 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 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 7 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 18 2 1 0 21 2 1 0 16 6 1 0 16 10 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 4 31 1 6 5 32 1 0 6 33 1 6 7 34 1 1 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 1 11 40 1 0 11 41 1 0 12 42 1 1 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 17 48 1 0 17 49 1 0 17 50 1 0 18 51 1 6 19 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 21 56 1 6 24 57 1 0 24 58 1 0 25 59 1 0 M END