@MOLECULE isopropyl (5z)-7-{(1r,2r,3r,5s)-3,5-dihydroxy-2-[(1e)-3-oxo-5-phenyl-1-penten-1-yl]cyclopentyl}-5-heptenoate 67 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7907 -1.8684 0.7717 O.3 1 UNL1111111111 -0.5676 2 O -0.5653 -3.6698 -1.7317 O.3 1 UNL1111111111 -0.5761 3 O 4.5174 -1.9671 0.6373 O.2 1 UNL1111111111 -0.4737 4 O -2.7577 0.6488 -1.3588 O.3 1 UNL1111111111 -0.4742 5 O -2.2825 2.8420 -1.4503 O.2 1 UNL1111111111 -0.5341 6 C -0.3777 -1.8875 1.3044 C.3 1 UNL1111111111 -0.1608 7 C 0.2884 -2.3007 -0.0304 C.3 1 UNL1111111111 -0.1933 8 C -1.7423 -2.6198 1.3150 C.3 1 UNL1111111111 0.1729 9 C -0.2590 -3.7106 -0.3490 C.3 1 UNL1111111111 0.1656 10 C -1.5342 -3.9058 0.4871 C.3 1 UNL1111111111 -0.4100 11 C -0.4929 -0.3693 1.4270 C.3 1 UNL1111111111 -0.2987 12 C 1.7708 -2.2541 0.1091 C.2 1 UNL1111111111 -0.0283 13 C -0.9237 0.0500 2.7941 C.2 1 UNL1111111111 -0.1418 14 C 2.4957 -1.2004 -0.2864 C.2 1 UNL1111111111 -0.3352 15 C -1.6935 1.1135 3.0488 C.2 1 UNL1111111111 -0.1748 16 C 3.9497 -1.1553 -0.0576 C.2 1 UNL1111111111 0.4891 17 C -2.2695 2.0101 2.0006 C.3 1 UNL1111111111 -0.2788 18 C 4.7209 -0.0352 -0.7212 C.3 1 UNL1111111111 -0.3729 19 C -3.5231 1.3562 1.3982 C.3 1 UNL1111111111 -0.2542 20 C 4.6597 1.2251 0.1532 C.3 1 UNL1111111111 -0.2722 21 C -3.9576 2.0469 0.1049 C.3 1 UNL1111111111 -0.3533 22 C 3.3202 1.8956 0.0880 C.ar 1 UNL1111111111 0.0110 23 C -2.9082 1.9338 -0.9635 C.2 1 UNL1111111111 0.6316 24 C 2.8998 2.5047 -1.0972 C.ar 1 UNL1111111111 -0.1818 25 C 2.4957 1.9309 1.2136 C.ar 1 UNL1111111111 -0.1785 26 C -1.9575 0.3949 -2.5330 C.3 1 UNL1111111111 0.1934 27 C 1.6620 3.1389 -1.1562 C.ar 1 UNL1111111111 -0.1326 28 C 1.2586 2.5710 1.1524 C.ar 1 UNL1111111111 -0.1440 29 C 0.8371 3.1698 -0.0323 C.ar 1 UNL1111111111 -0.1596 30 C -0.4885 0.6401 -2.2304 C.3 1 UNL1111111111 -0.5070 31 C -2.2665 -1.0639 -2.8461 C.3 1 UNL1111111111 -0.4937 32 H 0.2319 -2.2774 2.1555 H 1 UNL1111111111 0.1528 33 H -0.0509 -1.6181 -0.8557 H 1 UNL1111111111 0.1824 34 H -2.1106 -2.8166 2.3437 H 1 UNL1111111111 0.1399 35 H 0.4868 -4.5140 -0.1873 H 1 UNL1111111111 0.1182 36 H -1.4628 -4.7882 1.1392 H 1 UNL1111111111 0.1511 37 H -2.4144 -4.0737 -0.1617 H 1 UNL1111111111 0.1748 38 H -1.1849 0.0269 0.6512 H 1 UNL1111111111 0.1656 39 H 0.4958 0.0992 1.2029 H 1 UNL1111111111 0.1673 40 H 2.2415 -3.1187 0.5880 H 1 UNL1111111111 0.1623 41 H -2.5500 -1.4428 -0.0811 H 1 UNL1111111111 0.3357 42 H -0.9197 -4.5230 -2.0405 H 1 UNL1111111111 0.3187 43 H -0.5498 -0.5753 3.6034 H 1 UNL1111111111 0.1406 44 H 2.0606 -0.3283 -0.7721 H 1 UNL1111111111 0.1758 45 H -1.9639 1.3751 4.0703 H 1 UNL1111111111 0.1397 46 H -2.5232 3.0026 2.4210 H 1 UNL1111111111 0.1416 47 H -1.5222 2.2178 1.2053 H 1 UNL1111111111 0.1533 48 H 4.3296 0.1681 -1.7356 H 1 UNL1111111111 0.1634 49 H 5.7781 -0.3454 -0.8568 H 1 UNL1111111111 0.1684 50 H -4.3491 1.3785 2.1344 H 1 UNL1111111111 0.1443 51 H -3.3383 0.2745 1.2114 H 1 UNL1111111111 0.1794 52 H 5.4481 1.9375 -0.1723 H 1 UNL1111111111 0.1550 53 H 4.9291 0.9647 1.1992 H 1 UNL1111111111 0.1586 54 H -4.9075 1.6011 -0.2603 H 1 UNL1111111111 0.1730 55 H -4.1689 3.1224 0.2900 H 1 UNL1111111111 0.1749 56 H 3.5428 2.4892 -1.9738 H 1 UNL1111111111 0.1484 57 H 2.8154 1.4617 2.1418 H 1 UNL1111111111 0.1533 58 H -2.3272 1.0762 -3.3334 H 1 UNL1111111111 0.1335 59 H 1.3368 3.6170 -2.0791 H 1 UNL1111111111 0.1509 60 H 0.6213 2.6006 2.0360 H 1 UNL1111111111 0.1551 61 H -0.1353 3.6605 -0.0891 H 1 UNL1111111111 0.1638 62 H -0.2714 1.7180 -2.1627 H 1 UNL1111111111 0.1802 63 H 0.1567 0.2174 -3.0088 H 1 UNL1111111111 0.1616 64 H -0.1893 0.2006 -1.2718 H 1 UNL1111111111 0.1550 65 H -1.8060 -1.7549 -2.1249 H 1 UNL1111111111 0.1732 66 H -3.3469 -1.2549 -2.8313 H 1 UNL1111111111 0.1606 67 H -1.8869 -1.3422 -3.8359 H 1 UNL1111111111 0.1613 @BOND 1 1 8 1 2 1 41 1 3 2 9 1 4 2 42 1 5 3 16 2 6 4 23 1 7 4 26 1 8 5 23 2 9 6 7 1 10 6 8 1 11 6 11 1 12 6 32 1 13 7 9 1 14 7 12 1 15 7 33 1 16 8 10 1 17 8 34 1 18 9 10 1 19 9 35 1 20 10 36 1 21 10 37 1 22 11 13 1 23 11 38 1 24 11 39 1 25 12 14 2 26 12 40 1 27 13 15 2 28 13 43 1 29 14 16 1 30 14 44 1 31 15 17 1 32 15 45 1 33 16 18 1 34 17 19 1 35 17 46 1 36 17 47 1 37 18 20 1 38 18 48 1 39 18 49 1 40 19 21 1 41 19 50 1 42 19 51 1 43 20 22 1 44 20 52 1 45 20 53 1 46 21 23 1 47 21 54 1 48 21 55 1 49 22 24 ar 50 22 25 ar 51 24 27 ar 52 24 56 1 53 25 28 ar 54 25 57 1 55 26 30 1 56 26 31 1 57 26 58 1 58 27 29 ar 59 27 59 1 60 28 29 ar 61 28 60 1 62 29 61 1 63 30 62 1 64 30 63 1 65 30 64 1 66 31 65 1 67 31 66 1 68 31 67 1