HMDB0000879 RDKit 3D Tetrahydrodeoxycorticosterone 58 61 0 0 0 0 0 0 0 0999 V2000 -2.4170 1.1416 1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2112 0.3890 0.2744 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9575 1.0981 -0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4263 0.9945 -0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9622 -0.3516 -0.3786 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7993 -1.3023 -1.3707 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2025 -0.8749 0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7654 -1.0033 0.3859 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9719 -1.8747 1.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5892 -2.0117 0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 -0.6184 0.7483 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7746 0.3196 -0.1226 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0847 1.6412 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 1.4599 -0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 0.5679 -0.0714 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3797 1.2143 1.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 0.0838 -0.7202 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4243 1.0641 -0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3195 2.2094 -0.3047 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7212 0.7013 -1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 -0.6088 -1.8413 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6796 -1.1488 0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3749 -1.5773 0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3588 -0.7614 0.0724 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5647 1.8112 1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5273 0.4692 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3132 1.8254 1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6836 2.1926 -0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5292 0.7313 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 1.7666 -0.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8437 1.2339 -1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0155 -0.2338 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6017 -2.2151 -1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6357 -1.8487 1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3043 -0.0915 1.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 -1.4550 -0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4474 -2.8883 1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0223 -1.5054 2.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0476 -2.6152 1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 -2.4515 -0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 -0.2809 1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7356 -0.1173 -1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2311 1.9901 0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6688 2.4596 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0803 1.0101 -1.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7442 2.4485 -0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2947 2.3228 1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6988 0.9469 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4528 1.0221 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0904 -0.2885 -1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5779 0.8595 -0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9176 1.3675 -2.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1732 -1.1697 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 -0.9322 0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0034 -1.9859 -0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1828 -2.6645 0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4369 -1.3170 1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1879 -1.1479 -0.9493 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 14 15 1 0 15 16 1 1 15 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 17 22 1 0 22 23 1 0 23 24 1 0 8 2 1 0 24 11 1 0 12 2 1 0 24 15 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 1 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 6 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 1 12 42 1 6 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 16 47 1 0 16 48 1 0 16 49 1 0 17 50 1 6 20 51 1 0 20 52 1 0 21 53 1 0 22 54 1 0 22 55 1 0 23 56 1 0 23 57 1 0 24 58 1 6 M END