HMDB0004029 RDKit 3D 11-Dehydrocorticosterone 53 56 0 0 0 0 0 0 0 0999 V2000 -1.6235 0.3842 -1.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7615 0.3066 -0.0765 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2522 1.6000 0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2317 1.6244 0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7324 2.7155 0.2683 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 0.4411 0.5276 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3879 -0.8674 0.1844 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1600 -1.9671 0.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5287 -1.6196 1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2216 -0.5618 0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -0.5380 0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 0.5245 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3731 0.3304 -0.6052 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5445 1.8044 -0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0741 1.8204 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 0.4789 -0.1372 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3786 0.0927 -1.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0238 -0.8169 0.6034 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8332 -2.0287 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2595 -1.5242 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1701 0.0028 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2135 0.5997 -0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9524 1.2768 -1.3909 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6391 0.3846 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8158 -0.4108 1.0302 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3504 -0.2445 -2.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 0.1669 -1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 1.4767 -1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5006 1.6412 1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7031 2.4852 0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3012 0.3308 1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -1.1348 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -2.9259 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -2.1874 1.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6165 -1.4427 2.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1546 -2.5589 1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1659 -1.2651 1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 2.6026 0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 2.1514 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9257 2.3227 0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6266 2.4203 -0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4185 0.3415 -1.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2683 -0.9762 -1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7163 0.7550 -2.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1405 -0.6667 1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5834 -2.3944 -0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7092 -2.7935 0.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7851 -1.8256 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8007 -1.9542 1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2747 0.2333 1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1078 -0.1157 -0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1864 1.3397 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9519 0.1657 1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 6 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 6 31 1 1 7 32 1 6 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 11 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 17 42 1 0 17 43 1 0 17 44 1 0 18 45 1 1 19 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 24 51 1 0 24 52 1 0 25 53 1 0 M END