@MOLECULE 7-[3,5-dihydroxy-2-[3-hydroxy-4-(3-thienyloxy)-1-butenyl]cyclopentyl]-5-heptenoic acid 55 56 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.6021 0.4154 -1.6838 S.2 1 UNL1111111111 0.2485 2 O 3.3461 -2.1868 -3.1054 O.3 1 UNL1111111111 -0.5659 3 O 3.7388 -1.5161 1.5418 O.3 1 UNL1111111111 -0.5513 4 O -1.1536 -1.7543 3.5977 O.3 1 UNL1111111111 -0.5454 5 O -2.8222 -1.0744 0.5003 O.3 1 UNL1111111111 -0.3065 6 O 3.6186 1.8696 1.3084 O.3 1 UNL1111111111 -0.5579 7 O 3.4489 3.9100 0.4419 O.2 1 UNL1111111111 -0.5234 8 C 1.8026 -1.5698 -1.4406 C.3 1 UNL1111111111 -0.1281 9 C 1.8814 -1.4473 0.0940 C.3 1 UNL1111111111 -0.1724 10 C 3.2813 -1.4928 -1.8757 C.3 1 UNL1111111111 0.1601 11 C 3.1550 -2.2423 0.4790 C.3 1 UNL1111111111 0.1627 12 C 4.0619 -2.2437 -0.7736 C.3 1 UNL1111111111 -0.4065 13 C 0.8717 -0.5458 -2.0841 C.3 1 UNL1111111111 -0.2899 14 C 0.6513 -1.9913 0.7333 C.2 1 UNL1111111111 -0.0952 15 C 1.2257 0.8795 -1.8079 C.2 1 UNL1111111111 -0.1577 16 C -0.1426 -1.2328 1.4919 C.2 1 UNL1111111111 -0.2412 17 C -1.3419 -1.7828 2.1934 C.3 1 UNL1111111111 0.1453 18 C 0.3577 1.7403 -1.2697 C.2 1 UNL1111111111 -0.1679 19 C 0.6868 3.1861 -1.0805 C.3 1 UNL1111111111 -0.2833 20 C -2.6133 -0.9490 1.9104 C.3 1 UNL1111111111 -0.1083 21 C 0.5572 3.6076 0.3903 C.3 1 UNL1111111111 -0.2414 22 C 1.4623 2.7753 1.3044 C.3 1 UNL1111111111 -0.3409 23 C -3.9106 -0.4367 0.0152 C.ar 1 UNL1111111111 0.2183 24 C 2.9052 2.9661 0.9525 C.2 1 UNL1111111111 0.6531 25 C -4.8841 0.3102 0.7708 C.ar 1 UNL1111111111 -0.2747 26 C -4.1577 -0.4754 -1.3335 C.ar 1 UNL1111111111 -0.4174 27 C -5.8671 0.8311 -0.0164 C.ar 1 UNL1111111111 -0.2351 28 H 1.4234 -2.5896 -1.7226 H 1 UNL1111111111 0.1605 29 H 2.0537 -0.3739 0.3790 H 1 UNL1111111111 0.1853 30 H 3.6467 -0.4597 -2.0226 H 1 UNL1111111111 0.1195 31 H 2.9324 -3.2671 0.8408 H 1 UNL1111111111 0.1152 32 H 4.2777 -3.2723 -1.1096 H 1 UNL1111111111 0.1607 33 H 5.0304 -1.7703 -0.5617 H 1 UNL1111111111 0.1539 34 H -0.1693 -0.7611 -1.7623 H 1 UNL1111111111 0.1559 35 H 0.8791 -0.7079 -3.1856 H 1 UNL1111111111 0.1619 36 H 0.4455 -3.0423 0.5351 H 1 UNL1111111111 0.1472 37 H 4.2043 -2.0438 -3.5414 H 1 UNL1111111111 0.3143 38 H 4.5528 -1.9544 1.8548 H 1 UNL1111111111 0.3100 39 H 2.2244 1.1866 -2.1172 H 1 UNL1111111111 0.1426 40 H 0.0551 -0.1771 1.6671 H 1 UNL1111111111 0.1519 41 H -1.5215 -2.8623 1.9798 H 1 UNL1111111111 0.1555 42 H -0.6344 1.4435 -0.9435 H 1 UNL1111111111 0.1482 43 H 0.0098 3.8070 -1.7072 H 1 UNL1111111111 0.1479 44 H 1.7086 3.4260 -1.4405 H 1 UNL1111111111 0.1569 45 H -3.4754 -1.3686 2.4540 H 1 UNL1111111111 0.1430 46 H -2.4732 0.1103 2.1713 H 1 UNL1111111111 0.1327 47 H -0.4952 3.5101 0.7223 H 1 UNL1111111111 0.1418 48 H 0.8125 4.6836 0.4831 H 1 UNL1111111111 0.1503 49 H -0.5950 -0.9947 3.8620 H 1 UNL1111111111 0.3190 50 H 1.1857 1.6955 1.2342 H 1 UNL1111111111 0.1862 51 H 1.3106 3.0497 2.3682 H 1 UNL1111111111 0.1720 52 H -4.8312 0.4322 1.8390 H 1 UNL1111111111 0.1693 53 H -3.5746 -0.9732 -2.0822 H 1 UNL1111111111 0.1930 54 H 4.5826 1.9230 1.1122 H 1 UNL1111111111 0.3531 55 H -6.7078 1.4296 0.2902 H 1 UNL1111111111 0.1746 @BOND 1 1 26 ar 2 1 27 ar 3 2 10 1 4 2 37 1 5 3 11 1 6 3 38 1 7 4 17 1 8 4 49 1 9 5 20 1 10 5 23 1 11 6 24 1 12 6 54 1 13 7 24 2 14 8 9 1 15 8 10 1 16 8 13 1 17 8 28 1 18 9 11 1 19 9 14 1 20 9 29 1 21 10 12 1 22 10 30 1 23 11 12 1 24 11 31 1 25 12 32 1 26 12 33 1 27 13 15 1 28 13 34 1 29 13 35 1 30 14 16 2 31 14 36 1 32 15 18 2 33 15 39 1 34 16 17 1 35 16 40 1 36 17 20 1 37 17 41 1 38 18 19 1 39 18 42 1 40 19 21 1 41 19 43 1 42 19 44 1 43 20 45 1 44 20 46 1 45 21 22 1 46 21 47 1 47 21 48 1 48 22 24 1 49 22 50 1 50 22 51 1 51 23 25 ar 52 23 26 ar 53 25 27 ar 54 25 52 1 55 26 53 1 56 27 55 1