@MOLECULE (7r)-7-[(1s,2r)-2-(3-carboxypropyl)-3-oxocyclopentyl]-7-hydroxy-5-oxoheptanoic acid 47 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1805 1.7928 1.7030 O.3 1 UNL1111111111 -0.5745 2 O 4.6187 -1.3444 0.8120 O.2 1 UNL1111111111 -0.4616 3 O -0.6382 2.2268 -1.7201 O.2 1 UNL1111111111 -0.4438 4 O -1.1158 -3.8590 -1.2345 O.3 1 UNL1111111111 -0.5699 5 O -1.0381 -1.6394 -1.3302 O.2 1 UNL1111111111 -0.5300 6 O -3.7249 -1.3013 0.7999 O.3 1 UNL1111111111 -0.5973 7 O -4.9203 0.3831 -0.0241 O.2 1 UNL1111111111 -0.5089 8 C 1.7769 0.5890 -0.2233 C.3 1 UNL1111111111 -0.1422 9 C 2.3676 -0.4858 0.7165 C.3 1 UNL1111111111 -0.2231 10 C 2.6537 0.5677 -1.4963 C.3 1 UNL1111111111 -0.2695 11 C 1.8222 1.9740 0.4491 C.3 1 UNL1111111111 0.1634 12 C 4.0185 0.0032 -1.0867 C.3 1 UNL1111111111 -0.3874 13 C 3.7896 -0.7018 0.2285 C.2 1 UNL1111111111 0.4770 14 C 1.6116 -1.8177 0.6348 C.3 1 UNL1111111111 -0.2664 15 C 1.0801 3.0705 -0.3317 C.3 1 UNL1111111111 -0.4603 16 C 0.2381 -1.7062 1.3088 C.3 1 UNL1111111111 -0.2524 17 C -0.3494 2.6678 -0.6385 C.2 1 UNL1111111111 0.4968 18 C -0.7300 -2.7810 0.8102 C.3 1 UNL1111111111 -0.3466 19 C -1.3631 2.8866 0.4541 C.3 1 UNL1111111111 -0.3848 20 C -2.6821 2.1656 0.1695 C.3 1 UNL1111111111 -0.2288 21 C -0.9692 -2.6357 -0.6574 C.2 1 UNL1111111111 0.6648 22 C -2.5191 0.6517 0.3277 C.3 1 UNL1111111111 -0.3639 23 C -3.8435 -0.0261 0.3178 C.2 1 UNL1111111111 0.6632 24 H 0.7204 0.3391 -0.4864 H 1 UNL1111111111 0.1799 25 H 2.3783 -0.1364 1.7770 H 1 UNL1111111111 0.1838 26 H 2.7381 1.5605 -1.9634 H 1 UNL1111111111 0.1450 27 H 2.1758 -0.0738 -2.2621 H 1 UNL1111111111 0.1588 28 H 2.8756 2.2845 0.6380 H 1 UNL1111111111 0.1181 29 H 4.4309 -0.6916 -1.8407 H 1 UNL1111111111 0.1749 30 H 4.7814 0.7937 -0.9691 H 1 UNL1111111111 0.1680 31 H 1.5053 -2.1186 -0.4261 H 1 UNL1111111111 0.1497 32 H 2.2082 -2.6186 1.1174 H 1 UNL1111111111 0.1546 33 H 1.6130 3.2743 -1.2844 H 1 UNL1111111111 0.1798 34 H 1.1017 4.0196 0.2329 H 1 UNL1111111111 0.1597 35 H -0.1920 -0.6981 1.1277 H 1 UNL1111111111 0.1592 36 H 0.3489 -1.7803 2.4082 H 1 UNL1111111111 0.1479 37 H 1.3522 2.5473 2.2954 H 1 UNL1111111111 0.3167 38 H -1.7109 -2.6903 1.3370 H 1 UNL1111111111 0.1924 39 H -0.3539 -3.7980 1.0527 H 1 UNL1111111111 0.1814 40 H -0.9456 2.5498 1.4284 H 1 UNL1111111111 0.1813 41 H -1.5448 3.9752 0.5660 H 1 UNL1111111111 0.1636 42 H -3.4747 2.5414 0.8464 H 1 UNL1111111111 0.1482 43 H -3.0333 2.3976 -0.8602 H 1 UNL1111111111 0.1714 44 H -1.9585 0.3997 1.2529 H 1 UNL1111111111 0.1785 45 H -1.8907 0.2485 -0.5124 H 1 UNL1111111111 0.2229 46 H -1.3012 -3.8220 -2.2042 H 1 UNL1111111111 0.3548 47 H -4.5733 -1.8033 0.7929 H 1 UNL1111111111 0.3555 @BOND 1 1 11 1 2 1 37 1 3 2 13 2 4 3 17 2 5 4 21 1 6 4 46 1 7 5 21 2 8 6 23 1 9 6 47 1 10 7 23 2 11 8 9 1 12 8 10 1 13 8 11 1 14 8 24 1 15 9 13 1 16 9 14 1 17 9 25 1 18 10 12 1 19 10 26 1 20 10 27 1 21 11 15 1 22 11 28 1 23 12 13 1 24 12 29 1 25 12 30 1 26 14 16 1 27 14 31 1 28 14 32 1 29 15 17 1 30 15 33 1 31 15 34 1 32 16 18 1 33 16 35 1 34 16 36 1 35 17 19 1 36 18 21 1 37 18 38 1 38 18 39 1 39 19 20 1 40 19 40 1 41 19 41 1 42 20 22 1 43 20 42 1 44 20 43 1 45 22 23 1 46 22 44 1 47 22 45 1