@MOLECULE (5z)-7-{(1s,2s,3s,5r)-2-[(1e,3s)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl}-5-heptenoic acid 58 59 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -3.6096 1.5054 2.9655 Cl 1 UNL111111111 -0.0890 2 O 4.7789 2.2101 -0.4919 O.3 1 UNL111111111 -0.5544 3 O 5.6260 -0.8006 -0.0145 O.3 1 UNL111111111 -0.5809 4 O 1.0073 -4.6348 -0.5203 O.3 1 UNL111111111 -0.5616 5 O -0.9275 -2.1149 0.9083 O.3 1 UNL111111111 -0.3460 6 O -2.0599 -0.3304 -3.8037 O.3 1 UNL111111111 -0.5801 7 O -3.5298 1.1473 -3.0231 O.2 1 UNL111111111 -0.5093 8 C 2.7844 1.0096 0.2448 C.3 1 UNL111111111 -0.1621 9 C 3.3205 -0.4337 0.0906 C.3 1 UNL111111111 -0.1740 10 C 4.0285 1.8457 0.6379 C.3 1 UNL111111111 0.1672 11 C 4.6197 -0.5010 0.9393 C.3 1 UNL111111111 0.1621 12 C 4.8525 0.8985 1.5329 C.3 1 UNL111111111 -0.4119 13 C 2.1157 1.5090 -1.0378 C.3 1 UNL111111111 -0.2764 14 C 2.3218 -1.4431 0.5442 C.2 1 UNL111111111 -0.1295 15 C 1.5168 2.8623 -0.8263 C.2 1 UNL111111111 -0.1620 16 C 1.8689 -2.4078 -0.2597 C.2 1 UNL111111111 -0.2421 17 C 0.8562 -3.4133 0.1874 C.3 1 UNL111111111 0.1387 18 C 0.3100 3.1066 -0.3078 C.2 1 UNL111111111 -0.1615 19 C -0.6662 2.0759 0.1573 C.3 1 UNL111111111 -0.2799 20 C -0.5762 -2.9693 -0.1824 C.3 1 UNL111111111 -0.0632 21 C -1.7792 1.8767 -0.8821 C.3 1 UNL111111111 -0.2501 22 C -1.2987 0.9919 -2.0349 C.3 1 UNL111111111 -0.3455 23 C -2.1074 -1.4537 0.8201 C.ar 1 UNL111111111 0.2826 24 C -2.4285 0.6712 -2.9540 C.2 1 UNL111111111 0.6492 25 C -2.2514 -0.4695 1.8127 C.ar 1 UNL111111111 -0.2905 26 C -3.1045 -1.6928 -0.1277 C.ar 1 UNL111111111 -0.3110 27 C -3.4254 0.2611 1.8045 C.ar 1 UNL111111111 0.0939 28 C -4.2741 -0.9351 -0.0819 C.ar 1 UNL111111111 -0.0387 29 C -4.4478 0.0539 0.8849 C.ar 1 UNL111111111 -0.2510 30 H 2.0481 1.0574 1.0809 H 1 UNL111111111 0.1507 31 H 3.6089 -0.6129 -0.9789 H 1 UNL111111111 0.1765 32 H 3.7777 2.8181 1.1010 H 1 UNL111111111 0.1426 33 H 4.6093 -1.3037 1.6999 H 1 UNL111111111 0.1191 34 H 5.9186 1.1801 1.5236 H 1 UNL111111111 0.1671 35 H 4.5236 0.9547 2.5814 H 1 UNL111111111 0.1564 36 H 1.3500 0.7759 -1.3635 H 1 UNL111111111 0.1477 37 H 2.8598 1.5500 -1.8624 H 1 UNL111111111 0.1559 38 H 1.9757 -1.3344 1.5728 H 1 UNL111111111 0.1524 39 H 5.1746 1.4102 -0.9063 H 1 UNL111111111 0.3311 40 H 6.5033 -0.8730 0.4030 H 1 UNL111111111 0.3203 41 H 2.1698 3.6839 -1.1286 H 1 UNL111111111 0.1496 42 H 2.1974 -2.5184 -1.2928 H 1 UNL111111111 0.1662 43 H 0.9250 -3.6465 1.2770 H 1 UNL111111111 0.1419 44 H -0.0469 4.1323 -0.1987 H 1 UNL111111111 0.1419 45 H -1.1166 2.3949 1.1217 H 1 UNL111111111 0.1496 46 H -0.1747 1.1085 0.3824 H 1 UNL111111111 0.1493 47 H -0.6133 -2.4129 -1.1328 H 1 UNL111111111 0.1445 48 H -1.2593 -3.8374 -0.2184 H 1 UNL111111111 0.1517 49 H -2.1309 2.8540 -1.2680 H 1 UNL111111111 0.1567 50 H -2.6686 1.4212 -0.4003 H 1 UNL111111111 0.1541 51 H 1.9489 -4.8951 -0.5594 H 1 UNL111111111 0.3260 52 H -0.8440 0.0526 -1.6489 H 1 UNL111111111 0.1796 53 H -0.4845 1.5009 -2.6000 H 1 UNL111111111 0.1896 54 H -1.4605 -0.3084 2.5410 H 1 UNL111111111 0.1880 55 H -2.9887 -2.4590 -0.8882 H 1 UNL111111111 0.1734 56 H -2.7590 -0.5794 -4.4527 H 1 UNL111111111 0.3539 57 H -5.0613 -1.1128 -0.8177 H 1 UNL111111111 0.1610 58 H -5.3590 0.6488 0.9078 H 1 UNL111111111 0.1800 @BOND 1 44 18 1 2 41 15 1 3 49 21 1 4 18 15 2 5 18 19 1 6 15 13 1 7 45 19 1 8 21 19 1 9 21 50 1 10 21 22 1 11 7 24 2 12 19 46 1 13 53 22 1 14 32 10 1 15 24 22 1 16 24 6 1 17 22 52 1 18 2 10 1 19 2 39 1 20 1 27 1 21 37 13 1 22 13 36 1 23 13 8 1 24 58 29 1 25 10 8 1 26 10 12 1 27 6 56 1 28 29 27 ar 29 29 28 ar 30 30 8 1 31 8 9 1 32 27 25 ar 33 57 28 1 34 34 12 1 35 28 26 ar 36 12 35 1 37 12 11 1 38 25 54 1 39 25 23 ar 40 9 31 1 41 9 11 1 42 9 14 1 43 26 23 ar 44 26 55 1 45 23 5 1 46 11 3 1 47 11 33 1 48 3 40 1 49 14 38 1 50 14 16 2 51 47 20 1 52 5 20 1 53 42 16 1 54 16 17 1 55 20 48 1 56 20 17 1 57 17 43 1 58 17 4 1 59 4 51 1