@MOLECULE (3r)-3-hydroxy-7-[(1r,2s)-2-({[(2s)-2-methylbutanoyl]oxy}methyl)cyclohexyl]-5-oxoheptanoic acid 57 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6553 -1.8824 -1.1900 O.3 1 UNL1111111111 -0.4279 2 O 1.5469 3.1052 -0.8107 O.2 1 UNL1111111111 -0.4786 3 O 0.2811 -0.7552 -1.2693 O.2 1 UNL1111111111 -0.5550 4 O 2.5447 0.2683 2.0257 O.3 1 UNL1111111111 -0.6017 5 O 5.0355 -0.0848 -1.3362 O.3 1 UNL1111111111 -0.5461 6 O 4.8970 -0.3733 0.8637 O.2 1 UNL1111111111 -0.5612 7 C -2.3680 0.9816 -0.1836 C.3 1 UNL1111111111 -0.1052 8 C -3.1828 -0.0132 -1.0458 C.3 1 UNL1111111111 -0.1481 9 C -3.3396 1.7583 0.7267 C.3 1 UNL1111111111 -0.2759 10 C -4.0188 -0.9518 -0.1552 C.3 1 UNL1111111111 -0.2723 11 C -4.1290 0.8048 1.6288 C.3 1 UNL1111111111 -0.2666 12 C -4.9486 -0.1642 0.7714 C.3 1 UNL1111111111 -0.2691 13 C -1.5772 1.9553 -1.0796 C.3 1 UNL1111111111 -0.2796 14 C -2.3101 -0.8790 -1.9655 C.3 1 UNL1111111111 -0.0439 15 C -0.7644 3.0033 -0.3073 C.3 1 UNL1111111111 -0.3864 16 C 0.6790 2.5806 -0.1567 C.2 1 UNL1111111111 0.5055 17 C 0.9741 1.5102 0.8504 C.3 1 UNL1111111111 -0.4294 18 C -0.3548 -1.6998 -0.8699 C.2 1 UNL1111111111 0.6136 19 C 0.1223 -2.8311 0.0084 C.3 1 UNL1111111111 -0.1598 20 C 2.4697 1.1827 0.9495 C.3 1 UNL1111111111 0.2252 21 C 0.3845 -2.2818 1.4200 C.3 1 UNL1111111111 -0.2615 22 C 3.0014 0.5437 -0.3468 C.3 1 UNL1111111111 -0.4418 23 C 1.3978 -3.4039 -0.6089 C.3 1 UNL1111111111 -0.4399 24 C -0.9128 -1.9323 2.1428 C.3 1 UNL1111111111 -0.4500 25 C 4.3682 -0.0022 -0.1601 C.2 1 UNL1111111111 0.6710 26 H -1.6528 0.4067 0.4501 H 1 UNL1111111111 0.1393 27 H -3.8766 0.5780 -1.6927 H 1 UNL1111111111 0.1433 28 H -2.7859 2.4825 1.3527 H 1 UNL1111111111 0.1332 29 H -4.0342 2.3588 0.1104 H 1 UNL1111111111 0.1384 30 H -4.6070 -1.6432 -0.7862 H 1 UNL1111111111 0.1350 31 H -3.3479 -1.5976 0.4454 H 1 UNL1111111111 0.1510 32 H -3.4402 0.2425 2.2877 H 1 UNL1111111111 0.1381 33 H -4.7928 1.3772 2.3018 H 1 UNL1111111111 0.1309 34 H -5.6990 0.3919 0.1797 H 1 UNL1111111111 0.1352 35 H -5.5215 -0.8572 1.4142 H 1 UNL1111111111 0.1328 36 H -0.8923 1.3765 -1.7381 H 1 UNL1111111111 0.1656 37 H -2.2778 2.4717 -1.7637 H 1 UNL1111111111 0.1418 38 H -2.9260 -1.4840 -2.6587 H 1 UNL1111111111 0.1403 39 H -1.5807 -0.2901 -2.5496 H 1 UNL1111111111 0.1503 40 H -0.8000 3.9709 -0.8538 H 1 UNL1111111111 0.1704 41 H -1.2073 3.2129 0.6841 H 1 UNL1111111111 0.1616 42 H 0.6018 1.7985 1.8568 H 1 UNL1111111111 0.1853 43 H 0.4048 0.5859 0.5980 H 1 UNL1111111111 0.1984 44 H -0.6610 -3.6299 0.0620 H 1 UNL1111111111 0.1690 45 H 3.0674 2.0828 1.2222 H 1 UNL1111111111 0.1315 46 H 1.0540 -1.3928 1.3763 H 1 UNL1111111111 0.1778 47 H 0.9507 -3.0319 2.0073 H 1 UNL1111111111 0.1518 48 H 2.3154 -0.2706 -0.6914 H 1 UNL1111111111 0.2221 49 H 2.9654 1.2895 -1.1794 H 1 UNL1111111111 0.2220 50 H 1.2203 -3.7989 -1.6165 H 1 UNL1111111111 0.1513 51 H 1.7981 -4.2247 -0.0012 H 1 UNL1111111111 0.1557 52 H 2.1859 -2.6426 -0.6901 H 1 UNL1111111111 0.1614 53 H -1.5085 -1.1998 1.5838 H 1 UNL1111111111 0.1448 54 H -0.7060 -1.4978 3.1291 H 1 UNL1111111111 0.1534 55 H -1.5431 -2.8151 2.2974 H 1 UNL1111111111 0.1444 56 H 3.4468 -0.1245 2.0754 H 1 UNL1111111111 0.3546 57 H 5.9503 -0.4527 -1.2488 H 1 UNL1111111111 0.3542 @BOND 1 1 14 1 2 1 18 1 3 2 16 2 4 3 18 2 5 4 20 1 6 4 56 1 7 5 25 1 8 5 57 1 9 6 25 2 10 7 8 1 11 7 9 1 12 7 13 1 13 7 26 1 14 8 10 1 15 8 14 1 16 8 27 1 17 9 11 1 18 9 28 1 19 9 29 1 20 10 12 1 21 10 30 1 22 10 31 1 23 11 12 1 24 11 32 1 25 11 33 1 26 12 34 1 27 12 35 1 28 13 15 1 29 13 36 1 30 13 37 1 31 14 38 1 32 14 39 1 33 15 16 1 34 15 40 1 35 15 41 1 36 16 17 1 37 17 20 1 38 17 42 1 39 17 43 1 40 18 19 1 41 19 21 1 42 19 23 1 43 19 44 1 44 20 22 1 45 20 45 1 46 21 24 1 47 21 46 1 48 21 47 1 49 22 25 1 50 22 48 1 51 22 49 1 52 23 50 1 53 23 51 1 54 23 52 1 55 24 53 1 56 24 54 1 57 24 55 1