@MOLECULE 8-[(1r,2r,3s,5r)-2-(2-carboxyethyl)-3,5-dihydroxycyclopentyl]-6-oxooctanoic acid 49 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6320 2.3769 1.4109 O.3 1 UNL1111111111 -0.5556 2 O 5.1683 1.5574 0.3760 O.3 1 UNL1111111111 -0.5734 3 O -1.3471 -1.4707 0.8085 O.2 1 UNL1111111111 -0.4513 4 O 5.9144 -3.0447 0.0008 O.3 1 UNL1111111111 -0.5774 5 O 4.0467 -2.2280 0.8949 O.2 1 UNL1111111111 -0.5052 6 O -7.8456 -0.2020 -1.8183 O.3 1 UNL1111111111 -0.5768 7 O -8.0827 0.3832 0.3161 O.2 1 UNL1111111111 -0.5059 8 C 1.8113 0.9933 -0.5989 C.3 1 UNL1111111111 -0.1878 9 C 3.2564 0.4735 -0.4508 C.3 1 UNL1111111111 -0.1530 10 C 1.8556 2.4121 0.0245 C.3 1 UNL1111111111 0.1658 11 C 4.1478 1.7304 -0.5891 C.3 1 UNL1111111111 0.1503 12 C 3.2685 2.9526 -0.2731 C.3 1 UNL1111111111 -0.4153 13 C 0.7986 0.0739 0.0813 C.3 1 UNL1111111111 -0.2445 14 C 3.6063 -0.6119 -1.4697 C.3 1 UNL1111111111 -0.2605 15 C -0.6191 0.6466 -0.0047 C.3 1 UNL1111111111 -0.3919 16 C 4.9623 -1.2494 -1.1529 C.3 1 UNL1111111111 -0.3496 17 C -1.6382 -0.3438 0.4980 C.2 1 UNL1111111111 0.4753 18 C 4.8665 -2.1731 0.0176 C.2 1 UNL1111111111 0.6573 19 C -3.0597 0.1622 0.5758 C.3 1 UNL1111111111 -0.3884 20 C -4.0016 -0.9384 1.0714 C.3 1 UNL1111111111 -0.2503 21 C -5.4706 -0.5182 0.9818 C.3 1 UNL1111111111 -0.2588 22 C -6.0019 -0.6434 -0.4491 C.3 1 UNL1111111111 -0.3451 23 C -7.3891 -0.0986 -0.5389 C.2 1 UNL1111111111 0.6444 24 H 1.5547 1.0887 -1.6783 H 1 UNL1111111111 0.1402 25 H 3.4000 0.0548 0.5820 H 1 UNL1111111111 0.1886 26 H 1.0456 3.0758 -0.3347 H 1 UNL1111111111 0.1333 27 H 4.6373 1.8096 -1.5802 H 1 UNL1111111111 0.1137 28 H 3.6506 3.5093 0.6023 H 1 UNL1111111111 0.1731 29 H 3.2525 3.6696 -1.1063 H 1 UNL1111111111 0.1487 30 H 1.0670 -0.0941 1.1452 H 1 UNL1111111111 0.1625 31 H 0.8314 -0.9371 -0.3759 H 1 UNL1111111111 0.1584 32 H 2.8128 -1.3894 -1.4684 H 1 UNL1111111111 0.1590 33 H 3.6162 -0.1973 -2.4954 H 1 UNL1111111111 0.1392 34 H -0.6742 1.5832 0.5933 H 1 UNL1111111111 0.1816 35 H -0.8615 0.9341 -1.0455 H 1 UNL1111111111 0.1574 36 H 5.7188 -0.4600 -0.9180 H 1 UNL1111111111 0.1989 37 H 5.3655 -1.7861 -2.0377 H 1 UNL1111111111 0.1771 38 H 2.2775 1.7798 1.8482 H 1 UNL1111111111 0.3289 39 H 5.6970 2.3681 0.4867 H 1 UNL1111111111 0.3173 40 H -3.3793 0.5338 -0.4166 H 1 UNL1111111111 0.1592 41 H -3.1075 1.0398 1.2518 H 1 UNL1111111111 0.1681 42 H -3.7443 -1.1994 2.1188 H 1 UNL1111111111 0.1544 43 H -3.8267 -1.8745 0.5029 H 1 UNL1111111111 0.1558 44 H -6.0847 -1.1419 1.6637 H 1 UNL1111111111 0.1533 45 H -5.6026 0.5184 1.3524 H 1 UNL1111111111 0.1551 46 H 5.9257 -3.6661 0.7677 H 1 UNL1111111111 0.3553 47 H -5.9892 -1.7047 -0.7839 H 1 UNL1111111111 0.1837 48 H -5.3425 -0.1126 -1.1697 H 1 UNL1111111111 0.1784 49 H -8.7642 0.1383 -1.9421 H 1 UNL1111111111 0.3565 @BOND 1 1 10 1 2 1 38 1 3 2 11 1 4 2 39 1 5 3 17 2 6 4 18 1 7 4 46 1 8 5 18 2 9 6 23 1 10 6 49 1 11 7 23 2 12 8 9 1 13 8 10 1 14 8 13 1 15 8 24 1 16 9 11 1 17 9 14 1 18 9 25 1 19 10 12 1 20 10 26 1 21 11 12 1 22 11 27 1 23 12 28 1 24 12 29 1 25 13 15 1 26 13 30 1 27 13 31 1 28 14 16 1 29 14 32 1 30 14 33 1 31 15 17 1 32 15 34 1 33 15 35 1 34 16 18 1 35 16 36 1 36 16 37 1 37 17 19 1 38 19 20 1 39 19 40 1 40 19 41 1 41 20 21 1 42 20 42 1 43 20 43 1 44 21 22 1 45 21 44 1 46 21 45 1 47 22 23 1 48 22 47 1 49 22 48 1