@MOLECULE 9-{(1r,2r,3r,5s)-3,5-dihydroxy-2-[(1e,3s)-3-hydroxy-4-oxo-1-octen-1-yl]cyclopentyl}nonanoic acid 66 66 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9394 -3.6663 -0.4993 O.3 1 UNL1111111111 -0.5542 2 O 3.7929 -2.7944 -1.1922 O.3 1 UNL1111111111 -0.5778 3 O 2.7538 3.7261 0.0184 O.3 1 UNL1111111111 -0.5242 4 O 5.2927 3.4913 -0.7726 O.2 1 UNL1111111111 -0.4428 5 O -10.9036 0.9666 0.5208 O.3 1 UNL1111111111 -0.5759 6 O -9.7847 1.4083 -1.3524 O.2 1 UNL1111111111 -0.5051 7 C 1.2697 -1.4757 0.5380 C.3 1 UNL1111111111 -0.1669 8 C 2.6217 -1.0814 -0.1146 C.3 1 UNL1111111111 -0.1595 9 C 1.3345 -3.0180 0.6819 C.3 1 UNL1111111111 0.1655 10 C 3.5794 -2.2805 0.1135 C.3 1 UNL1111111111 0.1570 11 C 2.8221 -3.3125 0.9639 C.3 1 UNL1111111111 -0.4102 12 C 0.0759 -1.0018 -0.2893 C.3 1 UNL1111111111 -0.2754 13 C -1.2302 -1.1302 0.5058 C.3 1 UNL1111111111 -0.2708 14 C 3.1376 0.1762 0.4998 C.2 1 UNL1111111111 -0.1612 15 C -2.4118 -0.5839 -0.3051 C.3 1 UNL1111111111 -0.2681 16 C 3.0257 1.3618 -0.1038 C.2 1 UNL1111111111 -0.1984 17 C -3.7204 -0.7218 0.4832 C.3 1 UNL1111111111 -0.2771 18 C -4.8904 -0.1061 -0.2939 C.3 1 UNL1111111111 -0.2706 19 C 3.4967 2.6406 0.5167 C.3 1 UNL1111111111 0.0382 20 C -6.1956 -0.2228 0.5038 C.3 1 UNL1111111111 -0.2719 21 C 4.9839 2.8331 0.1878 C.2 1 UNL1111111111 0.4323 22 C -7.3500 0.4204 -0.2723 C.3 1 UNL1111111111 -0.2564 23 C 5.9907 2.1950 1.1021 C.3 1 UNL1111111111 -0.3833 24 C -8.6539 0.3267 0.5248 C.3 1 UNL1111111111 -0.3480 25 C 7.0532 1.4455 0.2877 C.3 1 UNL1111111111 -0.2500 26 C 6.5220 0.0982 -0.2172 C.3 1 UNL1111111111 -0.2531 27 C -9.7732 0.9548 -0.2396 C.2 1 UNL1111111111 0.6468 28 C 7.5374 -0.5778 -1.1368 C.3 1 UNL1111111111 -0.4383 29 H 1.2063 -1.0306 1.5582 H 1 UNL1111111111 0.1441 30 H 2.4883 -0.9610 -1.2215 H 1 UNL1111111111 0.1792 31 H 0.6361 -3.4211 1.4380 H 1 UNL1111111111 0.1363 32 H 4.5591 -1.9930 0.5379 H 1 UNL1111111111 0.1165 33 H 3.0552 -3.2089 2.0335 H 1 UNL1111111111 0.1532 34 H 3.0753 -4.3484 0.6852 H 1 UNL1111111111 0.1653 35 H 0.0002 -1.5872 -1.2279 H 1 UNL1111111111 0.1559 36 H 0.2284 0.0525 -0.5934 H 1 UNL1111111111 0.1435 37 H -1.4073 -2.1925 0.7621 H 1 UNL1111111111 0.1433 38 H -1.1482 -0.5889 1.4658 H 1 UNL1111111111 0.1315 39 H 3.5833 0.0652 1.4868 H 1 UNL1111111111 0.1430 40 H -2.4914 -1.1247 -1.2673 H 1 UNL1111111111 0.1409 41 H -2.2344 0.4766 -0.5645 H 1 UNL1111111111 0.1381 42 H 1.5768 -3.4619 -1.2230 H 1 UNL1111111111 0.3342 43 H 4.3856 -3.5679 -1.1767 H 1 UNL1111111111 0.3194 44 H 2.5638 1.4835 -1.0846 H 1 UNL1111111111 0.1722 45 H -3.9231 -1.7884 0.6941 H 1 UNL1111111111 0.1367 46 H -3.6211 -0.2310 1.4691 H 1 UNL1111111111 0.1343 47 H -4.9981 -0.6069 -1.2745 H 1 UNL1111111111 0.1404 48 H -4.6770 0.9562 -0.5182 H 1 UNL1111111111 0.1396 49 H 3.2979 2.6923 1.6128 H 1 UNL1111111111 0.1637 50 H -6.0797 0.2628 1.4908 H 1 UNL1111111111 0.1367 51 H -6.4180 -1.2862 0.7112 H 1 UNL1111111111 0.1373 52 H -7.1177 1.4800 -0.5005 H 1 UNL1111111111 0.1528 53 H -7.4704 -0.0685 -1.2603 H 1 UNL1111111111 0.1549 54 H 6.4755 2.9953 1.7033 H 1 UNL1111111111 0.1730 55 H 5.5165 1.5163 1.8349 H 1 UNL1111111111 0.1573 56 H 3.1067 4.0159 -0.8578 H 1 UNL1111111111 0.3336 57 H -8.9046 -0.7325 0.7521 H 1 UNL1111111111 0.1808 58 H -8.5496 0.8164 1.5172 H 1 UNL1111111111 0.1811 59 H 7.3792 2.0714 -0.5699 H 1 UNL1111111111 0.1618 60 H 7.9587 1.2876 0.9023 H 1 UNL1111111111 0.1379 61 H 5.5668 0.2456 -0.7615 H 1 UNL1111111111 0.1474 62 H 6.2879 -0.5618 0.6382 H 1 UNL1111111111 0.1251 63 H 7.7677 0.0493 -2.0068 H 1 UNL1111111111 0.1493 64 H 7.1517 -1.5300 -1.5189 H 1 UNL1111111111 0.1436 65 H 8.4795 -0.7836 -0.6184 H 1 UNL1111111111 0.1396 66 H -11.6837 1.3679 0.0673 H 1 UNL1111111111 0.3558 @BOND 1 1 9 1 2 1 42 1 3 2 10 1 4 2 43 1 5 3 19 1 6 3 56 1 7 4 21 2 8 5 27 1 9 5 66 1 10 6 27 2 11 7 8 1 12 7 9 1 13 7 12 1 14 7 29 1 15 8 10 1 16 8 14 1 17 8 30 1 18 9 11 1 19 9 31 1 20 10 11 1 21 10 32 1 22 11 33 1 23 11 34 1 24 12 13 1 25 12 35 1 26 12 36 1 27 13 15 1 28 13 37 1 29 13 38 1 30 14 16 2 31 14 39 1 32 15 17 1 33 15 40 1 34 15 41 1 35 16 19 1 36 16 44 1 37 17 18 1 38 17 45 1 39 17 46 1 40 18 20 1 41 18 47 1 42 18 48 1 43 19 21 1 44 19 49 1 45 20 22 1 46 20 50 1 47 20 51 1 48 21 23 1 49 22 24 1 50 22 52 1 51 22 53 1 52 23 25 1 53 23 54 1 54 23 55 1 55 24 27 1 56 24 57 1 57 24 58 1 58 25 26 1 59 25 59 1 60 25 60 1 61 26 28 1 62 26 61 1 63 26 62 1 64 28 63 1 65 28 64 1 66 28 65 1