HMDB0038931 RDKit 3D Sesartemin 57 61 0 0 0 0 0 0 0 0999 V2000 3.8651 3.4198 1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5329 2.2229 1.3366 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0884 0.9735 0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9082 0.7914 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -0.4509 -0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2061 -0.6125 -0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4469 -1.6753 -0.4991 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9003 -1.3510 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0007 0.0083 -1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 0.9617 -0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3258 0.7928 -0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0374 -0.2464 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4162 -0.3771 -0.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1269 -1.4388 0.1931 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4394 -2.3863 0.9858 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0796 0.5363 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3773 1.5934 -1.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0314 1.7077 -1.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3167 2.3311 -2.3791 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6274 1.9057 -2.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4256 0.6162 -1.4822 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4444 0.7444 0.8421 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0536 0.8299 0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 0.6023 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2303 -1.5609 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3938 -1.3954 0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1452 -2.4859 1.2882 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8116 -3.8110 0.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 -0.1366 1.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9924 -0.0091 2.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1878 0.1459 1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4278 4.2661 1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8813 3.3843 1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6939 3.5160 -0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3259 1.6733 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4091 -0.6448 -2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2384 -1.2380 0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4693 -2.1409 -1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0789 0.0349 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5435 1.9861 -0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5751 -0.9933 0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5468 -2.7896 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -1.9255 1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1304 -3.2248 1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4992 2.5375 -1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2587 1.8513 -2.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0413 2.6210 -1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2639 1.8398 1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 0.0041 1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6214 1.4860 -1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8448 -2.5206 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4321 -3.8675 -0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7546 -4.4218 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0396 -4.1639 1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0463 0.4356 1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4721 -0.8213 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0529 0.8694 0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 0 14 15 1 0 13 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 10 22 1 0 22 23 1 0 23 24 1 0 5 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 2 0 29 30 1 0 30 31 1 0 29 3 1 0 24 6 1 0 24 9 1 0 18 11 1 0 21 16 1 0 1 32 1 0 1 33 1 0 1 34 1 0 4 35 1 0 6 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 12 41 1 0 15 42 1 0 15 43 1 0 15 44 1 0 18 45 1 0 20 46 1 0 20 47 1 0 23 48 1 0 23 49 1 0 24 50 1 0 25 51 1 0 28 52 1 0 28 53 1 0 28 54 1 0 31 55 1 0 31 56 1 0 31 57 1 0 M END