@MOLECULE (5z)-7-{(1s,4r,5s,6r)-5-[(1e,3s)-3-hydroxy-1-octen-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}-5-heptenoic acid 59 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.4653 -0.7260 -0.5948 O.3 1 UNL1111111111 -0.4097 2 O 1.7305 2.7641 -1.8165 O.3 1 UNL1111111111 -0.5849 3 O 2.5785 2.2479 0.6753 O.3 1 UNL1111111111 -0.6171 4 O 4.3295 1.0134 0.0502 O.2 1 UNL1111111111 -0.5275 5 C -3.7959 1.4776 -0.0484 C.3 1 UNL1111111111 -0.1409 6 C -2.4497 -0.4305 0.6624 C.3 1 UNL1111111111 -0.1478 7 C -2.3143 1.0723 0.2182 C.3 1 UNL1111111111 -0.1372 8 C -3.9961 -0.6091 0.7538 C.3 1 UNL1111111111 0.1132 9 C -4.4928 0.8005 1.1702 C.3 1 UNL1111111111 -0.3368 10 C -4.3672 0.5881 -1.1791 C.3 1 UNL1111111111 -0.0536 11 C -1.7449 -0.7363 1.9883 C.3 1 UNL1111111111 -0.2908 12 C -1.4073 1.2000 -0.9547 C.2 1 UNL1111111111 -0.1424 13 C -0.7402 -1.8292 1.8072 C.2 1 UNL1111111111 -0.1844 14 C -0.1670 1.6844 -0.8526 C.2 1 UNL1111111111 -0.2506 15 C 0.7833 1.7025 -2.0103 C.3 1 UNL1111111111 0.1618 16 C 0.5864 -1.6666 1.8388 C.2 1 UNL1111111111 -0.1481 17 C 1.6670 0.4477 -2.0895 C.3 1 UNL1111111111 -0.3108 18 C 1.2711 -0.3567 2.0410 C.3 1 UNL1111111111 -0.2862 19 C 0.8793 -0.8432 -1.8638 C.3 1 UNL1111111111 -0.2739 20 C 2.7732 -0.5209 2.3099 C.3 1 UNL1111111111 -0.2492 21 C 1.8220 -2.0529 -1.8483 C.3 1 UNL1111111111 -0.2672 22 C 1.0464 -3.3287 -1.4940 C.3 1 UNL1111111111 -0.2504 23 C 3.4855 0.8391 2.3186 C.3 1 UNL1111111111 -0.3495 24 C 1.9910 -4.5234 -1.3676 C.3 1 UNL1111111111 -0.4400 25 C 3.5531 1.3482 0.9080 C.2 1 UNL1111111111 0.6645 26 H -3.9557 2.5482 -0.1745 H 1 UNL1111111111 0.1437 27 H -2.0640 -1.0964 -0.1415 H 1 UNL1111111111 0.1637 28 H -1.9356 1.6877 1.0670 H 1 UNL1111111111 0.1459 29 H -4.3668 -1.4849 1.2863 H 1 UNL1111111111 0.1397 30 H -4.1302 1.1412 2.1428 H 1 UNL1111111111 0.1485 31 H -5.5835 0.8952 1.1657 H 1 UNL1111111111 0.1513 32 H -5.3860 0.8712 -1.4789 H 1 UNL1111111111 0.1266 33 H -3.7264 0.4917 -2.0641 H 1 UNL1111111111 0.1312 34 H -2.4825 -1.0375 2.7616 H 1 UNL1111111111 0.1468 35 H -1.2739 0.1788 2.3996 H 1 UNL1111111111 0.1488 36 H -1.8005 0.8256 -1.9007 H 1 UNL1111111111 0.1516 37 H -1.1791 -2.8122 1.6345 H 1 UNL1111111111 0.1456 38 H 0.2424 2.0614 0.0857 H 1 UNL1111111111 0.1715 39 H 0.2716 1.9004 -2.9793 H 1 UNL1111111111 0.1270 40 H 1.2510 -2.5196 1.6933 H 1 UNL1111111111 0.1469 41 H 2.1825 0.4235 -3.0694 H 1 UNL1111111111 0.1562 42 H 2.4914 0.5263 -1.3479 H 1 UNL1111111111 0.1744 43 H 0.8046 0.2104 2.8727 H 1 UNL1111111111 0.1496 44 H 1.1166 0.2785 1.1365 H 1 UNL1111111111 0.1701 45 H 0.3331 -0.7968 -0.8984 H 1 UNL1111111111 0.1492 46 H 0.1081 -0.9684 -2.6451 H 1 UNL1111111111 0.1364 47 H 1.2757 3.6276 -1.7645 H 1 UNL1111111111 0.3264 48 H 2.9285 -1.0304 3.2800 H 1 UNL1111111111 0.1447 49 H 3.2317 -1.1815 1.5454 H 1 UNL1111111111 0.1536 50 H 2.3200 -2.1664 -2.8281 H 1 UNL1111111111 0.1382 51 H 2.6354 -1.8895 -1.1155 H 1 UNL1111111111 0.1415 52 H 0.4929 -3.1833 -0.5456 H 1 UNL1111111111 0.1355 53 H 0.2778 -3.5305 -2.2631 H 1 UNL1111111111 0.1336 54 H 4.5135 0.7378 2.7237 H 1 UNL1111111111 0.1712 55 H 2.9572 1.5574 2.9780 H 1 UNL1111111111 0.1747 56 H 2.5310 -4.7071 -2.3030 H 1 UNL1111111111 0.1415 57 H 2.7390 -4.3618 -0.5835 H 1 UNL1111111111 0.1419 58 H 1.4436 -5.4387 -1.1187 H 1 UNL1111111111 0.1373 59 H 2.4321 2.4902 -0.2960 H 1 UNL1111111111 0.3946 @BOND 1 1 8 1 2 1 10 1 3 2 15 1 4 2 47 1 5 3 25 1 6 3 59 1 7 4 25 2 8 5 7 1 9 5 9 1 10 5 10 1 11 5 26 1 12 6 7 1 13 6 8 1 14 6 11 1 15 6 27 1 16 7 12 1 17 7 28 1 18 8 9 1 19 8 29 1 20 9 30 1 21 9 31 1 22 10 32 1 23 10 33 1 24 11 13 1 25 11 34 1 26 11 35 1 27 12 14 2 28 12 36 1 29 13 16 2 30 13 37 1 31 14 15 1 32 14 38 1 33 15 17 1 34 15 39 1 35 16 18 1 36 16 40 1 37 17 19 1 38 17 41 1 39 17 42 1 40 18 20 1 41 18 43 1 42 18 44 1 43 19 21 1 44 19 45 1 45 19 46 1 46 20 23 1 47 20 48 1 48 20 49 1 49 21 22 1 50 21 50 1 51 21 51 1 52 22 24 1 53 22 52 1 54 22 53 1 55 23 25 1 56 23 54 1 57 23 55 1 58 24 56 1 59 24 57 1 60 24 58 1