HMDB0245568 RDKit 3D 20-Hydroxypregn-4-en-3-one 55 58 0 0 0 0 0 0 0 0999 V2000 4.5041 1.3096 0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 -0.1665 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 -0.9456 0.8921 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8797 -0.5372 -0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7258 -2.0246 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4595 -2.4542 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8159 -1.2008 0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -0.6740 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0088 -1.7262 -1.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0674 -1.0078 -1.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9499 -0.2022 -1.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2437 -0.2319 -1.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2203 0.5157 -0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3413 0.8447 -0.9518 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7747 0.8687 0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3937 0.4067 1.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4149 0.6286 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 2.1214 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0271 0.3087 0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 1.5155 0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3219 1.2387 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8383 -0.1136 0.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2747 -0.0534 2.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8976 1.8803 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5663 1.5582 -0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2642 1.6451 1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8513 -0.3788 -1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 -0.3645 1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6127 -0.0682 -1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6316 -2.5173 -0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -2.2991 -1.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7396 -3.0459 1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8358 -3.1259 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -1.3652 1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 -0.0934 -1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3078 -2.1665 -1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 -2.5307 -0.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 -1.7443 -2.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 -0.3155 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6228 -0.8595 -2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9681 1.9364 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5058 0.3073 1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 0.9056 2.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4433 -0.6913 1.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2275 2.7393 0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6696 2.3928 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1586 2.3740 -1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0801 -0.1039 1.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4436 2.2366 -0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 1.9743 1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9234 1.9977 0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5716 1.4352 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1325 -0.6714 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3479 1.0075 2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4225 -0.4693 2.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 4 1 0 22 7 1 0 19 8 1 0 17 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 12 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 18 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 23 53 1 0 23 54 1 0 23 55 1 0 M END