@MOLECULE (5z,9alpha,11alpha,13e,15s)-15-hydroxy-11-methoxy-6,9-epoxyprosta-5,13-dien-1-oic acid 60 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1300 -1.6416 -1.4572 O.2 1 UNL1111111111 -0.3579 2 O -1.4275 2.4460 -0.5417 O.3 1 UNL1111111111 -0.4360 3 O 3.6611 3.2098 1.5260 O.3 1 UNL1111111111 -0.5659 4 O -2.5901 0.9496 1.3585 O.3 1 UNL1111111111 -0.6126 5 O -4.4288 0.7437 0.1211 O.2 1 UNL1111111111 -0.5542 6 C 0.0794 -0.7263 -1.1751 C.3 1 UNL1111111111 -0.1435 7 C -1.1762 -0.7785 -2.0859 C.3 1 UNL1111111111 0.1059 8 C 0.1314 0.6989 -0.5851 C.3 1 UNL1111111111 -0.1652 9 C -0.7969 1.5716 -1.4702 C.3 1 UNL1111111111 0.1295 10 C -1.7838 0.6229 -2.1573 C.3 1 UNL1111111111 -0.3976 11 C -0.1968 -1.8057 -0.1101 C.3 1 UNL1111111111 -0.3216 12 C -1.6714 -2.0332 -0.2218 C.2 1 UNL1111111111 0.2140 13 C 1.5221 1.2371 -0.5727 C.2 1 UNL1111111111 -0.1630 14 C -2.5536 -2.4883 0.6736 C.2 1 UNL1111111111 -0.3051 15 C 2.1115 1.6651 0.5453 C.2 1 UNL1111111111 -0.2142 16 C -2.3769 3.3308 -1.1138 C.3 1 UNL1111111111 -0.1896 17 C 3.5243 2.1664 0.5690 C.3 1 UNL1111111111 0.1527 18 C -4.0208 -2.4565 0.4062 C.3 1 UNL1111111111 -0.2515 19 C 4.4894 1.0737 1.0603 C.3 1 UNL1111111111 -0.2985 20 C -4.8089 -1.8411 1.5769 C.3 1 UNL1111111111 -0.2423 21 C 4.6573 -0.0198 0.0032 C.3 1 UNL1111111111 -0.2748 22 C -4.1517 -0.5845 2.1575 C.3 1 UNL1111111111 -0.3384 23 C 5.5412 -1.1548 0.5344 C.3 1 UNL1111111111 -0.2698 24 C 5.6713 -2.2723 -0.5096 C.3 1 UNL1111111111 -0.2511 25 C -3.7932 0.4025 1.0875 C.2 1 UNL1111111111 0.6821 26 C 6.5538 -3.4058 0.0129 C.3 1 UNL1111111111 -0.4421 27 H 1.0021 -0.9545 -1.7419 H 1 UNL1111111111 0.1506 28 H -1.0001 -1.2388 -3.0744 H 1 UNL1111111111 0.1380 29 H -0.2971 0.6895 0.4540 H 1 UNL1111111111 0.1821 30 H -0.2363 2.1974 -2.1933 H 1 UNL1111111111 0.1270 31 H -2.0101 0.9261 -3.1896 H 1 UNL1111111111 0.1551 32 H -2.7673 0.6239 -1.6271 H 1 UNL1111111111 0.2059 33 H 0.1053 -1.4864 0.9034 H 1 UNL1111111111 0.1707 34 H 0.3675 -2.7345 -0.3181 H 1 UNL1111111111 0.1638 35 H 2.0257 1.2538 -1.5384 H 1 UNL1111111111 0.1457 36 H -2.2433 -2.8818 1.6332 H 1 UNL1111111111 0.1606 37 H 1.6160 1.6599 1.5160 H 1 UNL1111111111 0.1662 38 H -1.9576 3.8576 -1.9746 H 1 UNL1111111111 0.1252 39 H -3.2907 2.7863 -1.3852 H 1 UNL1111111111 0.1453 40 H -2.5822 4.0345 -0.2959 H 1 UNL1111111111 0.1497 41 H 3.8508 2.5876 -0.4092 H 1 UNL1111111111 0.1208 42 H -4.3942 -3.4801 0.1998 H 1 UNL1111111111 0.1430 43 H -4.2398 -1.8760 -0.5198 H 1 UNL1111111111 0.1663 44 H 4.1205 0.6494 2.0132 H 1 UNL1111111111 0.1543 45 H 5.4642 1.5398 1.3061 H 1 UNL1111111111 0.1576 46 H -5.8327 -1.5976 1.2265 H 1 UNL1111111111 0.1469 47 H -4.9258 -2.5904 2.3832 H 1 UNL1111111111 0.1370 48 H 3.6662 -0.4218 -0.2863 H 1 UNL1111111111 0.1430 49 H 5.0985 0.4029 -0.9184 H 1 UNL1111111111 0.1344 50 H 2.9081 3.8282 1.4711 H 1 UNL1111111111 0.3180 51 H -3.2393 -0.8618 2.7327 H 1 UNL1111111111 0.1806 52 H -4.8312 -0.0938 2.8860 H 1 UNL1111111111 0.1684 53 H 6.5415 -0.7658 0.8005 H 1 UNL1111111111 0.1384 54 H 5.1164 -1.5617 1.4710 H 1 UNL1111111111 0.1387 55 H 4.6702 -2.6636 -0.7716 H 1 UNL1111111111 0.1326 56 H 6.0943 -1.8668 -1.4478 H 1 UNL1111111111 0.1324 57 H 7.5642 -3.0519 0.2467 H 1 UNL1111111111 0.1437 58 H 6.1401 -3.8473 0.9265 H 1 UNL1111111111 0.1432 59 H 6.6497 -4.2085 -0.7263 H 1 UNL1111111111 0.1400 60 H -2.2216 1.5550 0.6486 H 1 UNL1111111111 0.3855 @BOND 1 1 7 1 2 1 12 1 3 2 9 1 4 2 16 1 5 3 17 1 6 3 50 1 7 4 25 1 8 4 60 1 9 5 25 2 10 6 7 1 11 6 8 1 12 6 11 1 13 6 27 1 14 7 10 1 15 7 28 1 16 8 9 1 17 8 13 1 18 8 29 1 19 9 10 1 20 9 30 1 21 10 31 1 22 10 32 1 23 11 12 1 24 11 33 1 25 11 34 1 26 12 14 2 27 13 15 2 28 13 35 1 29 14 18 1 30 14 36 1 31 15 17 1 32 15 37 1 33 16 38 1 34 16 39 1 35 16 40 1 36 17 19 1 37 17 41 1 38 18 20 1 39 18 42 1 40 18 43 1 41 19 21 1 42 19 44 1 43 19 45 1 44 20 22 1 45 20 46 1 46 20 47 1 47 21 23 1 48 21 48 1 49 21 49 1 50 22 25 1 51 22 51 1 52 22 52 1 53 23 24 1 54 23 53 1 55 23 54 1 56 24 26 1 57 24 55 1 58 24 56 1 59 26 57 1 60 26 58 1 61 26 59 1