HMDB0012612 RDKit 3D 19-Hydroxydeoxycorticosterone 55 58 0 0 0 0 0 0 0 0999 V2000 2.4441 1.1395 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9037 -0.1812 0.1638 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3419 -0.0756 -1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1141 0.2168 -1.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -0.3282 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4489 -0.2291 1.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 1.0750 1.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5308 2.0589 1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 1.3115 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 1.6046 0.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0133 0.8337 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1448 1.3522 0.2957 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7947 -0.5620 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3678 -0.9793 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 0.1710 -0.3507 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7894 0.5782 -1.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7067 -0.4191 -2.6955 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8991 -0.8210 1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6309 -0.9963 2.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9551 -1.5236 1.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 -1.1568 0.3445 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3817 -0.6525 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -0.5259 1.0382 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 -0.2552 -1.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1677 -0.4888 -2.3228 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9181 2.0172 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4719 1.2211 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6595 1.1326 1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5987 -1.0062 -1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 0.7463 -1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2863 1.3082 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4286 -0.1830 -2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0785 -1.4499 -0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0491 -0.9776 1.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0433 0.9552 2.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3515 1.6247 2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 2.7023 0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 2.7801 1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1084 2.4410 1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1964 -0.7133 -1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4556 -1.1974 0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1052 -1.8438 -0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -1.2450 1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8537 0.9495 -1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1689 1.4174 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -1.3131 -2.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7605 -1.8693 0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1145 -1.8199 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6928 -0.1400 2.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8136 -1.0697 2.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0026 -2.6310 1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7836 -2.0565 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3269 0.7951 -1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9056 -0.8529 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6474 -0.8692 -3.0912 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 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 6 16 17 1 0 6 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 15 5 1 0 15 9 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 0 4 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 10 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 16 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 21 52 1 6 24 53 1 0 24 54 1 0 25 55 1 0 M END