HMDB0004030 RDKit 3D 21-Deoxycortisol 55 58 0 0 0 0 0 0 0 0999 V2000 4.8170 1.0437 -0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3487 -0.3612 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0449 -1.1004 -1.2722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1773 -0.9191 0.1535 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2645 -2.3212 0.0244 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -0.4984 1.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1343 0.4576 1.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1145 -0.2106 1.0141 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1160 0.5262 0.6606 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7687 1.2372 1.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9231 2.0403 1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8645 1.0158 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0765 0.9981 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0241 0.0038 0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9922 -0.3382 1.3974 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7728 -0.5534 -0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3255 -1.0537 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 0.0802 -0.3338 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2474 0.8704 -1.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0498 -0.5293 0.0637 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4130 -1.2451 -1.0638 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0809 -2.4880 -1.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0302 -1.5455 -0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8534 -0.4457 -0.3153 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8887 0.7581 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8623 1.0704 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 1.7452 0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 1.4187 -1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0112 -2.6088 0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2735 -0.0300 1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1277 -1.3947 2.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3509 1.4820 1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8387 0.3858 2.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8851 -1.2239 1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 1.2791 -0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 0.5292 2.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0419 1.9329 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4505 2.5692 0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3742 2.7308 1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 1.7257 1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8827 0.2543 -1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4003 -1.4436 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1314 -1.4981 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2643 -1.8104 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3336 1.4745 -1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 1.5565 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3615 0.1829 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2573 -1.2436 0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5952 -0.7350 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1121 -2.7710 -2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2684 -2.5095 -0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -1.6727 -1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9189 1.7276 -0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0256 0.7709 -1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7796 0.6840 -1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 1 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 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 6 18 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 6 24 4 1 0 24 8 1 0 20 9 1 0 18 12 1 0 1 26 1 0 1 27 1 0 1 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 1 9 35 1 6 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 13 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 19 45 1 0 19 46 1 0 19 47 1 0 20 48 1 1 21 49 1 6 22 50 1 0 23 51 1 0 23 52 1 0 25 53 1 0 25 54 1 0 25 55 1 0 M END