HMDB0012614 RDKit 3D 19-Oxo-deoxycorticosterone 53 56 0 0 0 0 0 0 0 0999 V2000 1.7810 0.5603 1.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7275 0.4673 0.3282 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9812 1.6613 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 1.5596 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 0.3128 -0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2886 -0.9430 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7082 -1.5783 1.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0757 -2.1712 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9574 -1.0070 0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2647 -1.1430 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1339 -0.0306 0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1614 0.2240 1.0402 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8059 0.8275 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 0.5892 -1.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4849 0.2506 -0.0590 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8130 1.3203 0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 2.4343 0.6562 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1863 -0.8180 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6462 -0.7465 -1.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0253 -0.1986 -1.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 0.4398 -0.2116 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0459 -0.4310 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6272 -1.0481 1.5218 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4704 -0.5344 0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7495 0.2521 -0.9298 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0264 1.2864 2.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5783 -0.3843 2.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7566 0.9821 2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4153 2.5665 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0673 1.7383 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6997 1.5654 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 2.4176 -0.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9988 0.4502 -1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5867 -1.6826 -0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 -0.8213 1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 -2.4077 1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0114 -2.8034 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4921 -2.6794 1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6683 -2.0711 1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 1.8973 -0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5084 0.5072 -1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3544 -0.2835 -1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0432 1.5314 -1.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7506 1.0897 2.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6502 -1.6770 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0145 -0.0644 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 -1.7590 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7404 -1.0344 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2633 0.5328 -2.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5474 1.4721 -0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7619 -1.5720 -0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1455 -0.2523 1.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6707 1.2059 -0.7061 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 1 16 17 2 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 18 45 1 0 19 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 21 50 1 6 24 51 1 0 24 52 1 0 25 53 1 0 M END