HMDB0006012 RDKit 3D Epimetendiol 57 60 0 0 0 0 0 0 0 0999 V2000 2.4511 -1.4741 -0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3787 -0.1242 0.3957 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8430 -0.2115 1.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4349 -0.7823 1.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4466 0.0301 0.7946 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1347 0.4354 -0.5161 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7072 1.6284 -0.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1036 1.4743 -0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 0.0074 -0.5105 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3285 -0.4750 -1.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0341 -0.0400 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4293 0.3892 1.0993 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4564 1.7658 1.2838 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 -0.3380 2.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4414 -0.8221 1.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7535 -0.7209 0.5055 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4386 -2.1481 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 0.8850 -0.4153 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3318 0.8458 -1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7956 0.7313 -1.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7373 0.5196 0.2711 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8543 -0.3474 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7807 1.7747 0.8547 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7019 -1.6684 -1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -2.2404 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4368 -1.6813 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8656 0.7149 2.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4352 -0.9908 2.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5263 -1.8407 1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.7231 2.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 0.9563 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 -0.3993 -1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 2.5065 -0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5885 1.8344 -2.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2877 1.9603 0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7804 1.9808 -1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7686 0.2579 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3086 -0.5851 -2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8832 -1.4890 -1.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5312 0.6239 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3865 -1.0713 -0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4989 0.0427 1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 2.1083 0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0415 -0.4774 3.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8706 -1.3751 2.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5845 -2.2147 -0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -2.5631 -0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 -2.7398 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6871 1.8645 0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1834 1.7527 -2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0519 -0.0826 -2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2765 1.6773 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3021 -0.1202 -1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2377 -1.0418 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7073 0.3349 1.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 -0.8214 1.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9618 2.5066 0.2278 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 6 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 6 6 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 1 18 2 1 0 21 2 1 0 16 5 1 0 16 9 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 1 6 32 1 6 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 10 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 1 13 43 1 0 14 44 1 0 15 45 1 0 17 46 1 0 17 47 1 0 17 48 1 0 18 49 1 1 19 50 1 0 19 51 1 0 20 52 1 0 20 53 1 0 22 54 1 0 22 55 1 0 22 56 1 0 23 57 1 0 M END