@MOLECULE 18-hydroxy-5,8,11,14-eicosatetraenoic acid 55 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3922 0.3376 -1.9617 O.3 1 UNL1111111111 -0.5557 2 O 1.5469 0.2161 2.6012 O.3 1 UNL1111111111 -0.5791 3 O 1.7458 -1.9338 3.1359 O.2 1 UNL1111111111 -0.5166 4 C -3.0240 -0.4092 -0.8212 C.3 1 UNL1111111111 0.1659 5 C -3.9002 -0.0082 0.3772 C.3 1 UNL1111111111 -0.3331 6 C -3.1416 -1.9130 -1.1150 C.3 1 UNL1111111111 -0.3219 7 C -3.7013 1.4795 0.6953 C.3 1 UNL1111111111 -0.2698 8 C -2.2110 -2.3015 -2.2601 C.3 1 UNL1111111111 -0.4302 9 C -2.3654 1.7211 1.3253 C.2 1 UNL1111111111 -0.1821 10 C -1.4560 2.5354 0.7830 C.2 1 UNL1111111111 -0.1362 11 C 0.0481 -2.6857 0.9336 C.3 1 UNL1111111111 -0.2423 12 C 1.3127 -3.1328 0.1823 C.3 1 UNL1111111111 -0.2825 13 C -0.1174 2.8044 1.3964 C.3 1 UNL1111111111 -0.2920 14 C 0.1518 -1.2368 1.4154 C.3 1 UNL1111111111 -0.3457 15 C 1.6022 -2.2434 -0.9818 C.2 1 UNL1111111111 -0.1706 16 C 0.9540 2.4534 0.4105 C.2 1 UNL1111111111 -0.1350 17 C 3.0635 -0.7451 -2.3248 C.3 1 UNL1111111111 -0.2858 18 C 2.7858 -1.6536 -1.1671 C.2 1 UNL1111111111 -0.1494 19 C 2.6026 2.9903 -1.3771 C.3 1 UNL1111111111 -0.2858 20 C 1.5291 3.3499 -0.3949 C.2 1 UNL1111111111 -0.1724 21 C 3.3002 0.6369 -1.7980 C.2 1 UNL1111111111 -0.1703 22 C 2.4012 1.6152 -1.9312 C.2 1 UNL1111111111 -0.1431 23 C 1.2107 -1.0971 2.4585 C.2 1 UNL1111111111 0.6592 24 H -1.9655 -0.0913 -0.6742 H 1 UNL1111111111 0.1527 25 H -4.9635 -0.2071 0.1544 H 1 UNL1111111111 0.1363 26 H -3.6537 -0.6272 1.2585 H 1 UNL1111111111 0.1452 27 H -2.9054 -2.4972 -0.2068 H 1 UNL1111111111 0.1411 28 H -4.1859 -2.1666 -1.3719 H 1 UNL1111111111 0.1360 29 H -4.5048 1.8389 1.3699 H 1 UNL1111111111 0.1399 30 H -3.8177 2.0696 -0.2416 H 1 UNL1111111111 0.1597 31 H -2.3331 -3.3523 -2.5399 H 1 UNL1111111111 0.1369 32 H -1.1575 -2.1441 -1.9976 H 1 UNL1111111111 0.1462 33 H -2.4106 -1.6908 -3.1523 H 1 UNL1111111111 0.1583 34 H -2.1943 1.1879 2.2565 H 1 UNL1111111111 0.1406 35 H -4.3087 0.1470 -2.2321 H 1 UNL1111111111 0.3075 36 H -1.6329 3.0569 -0.1570 H 1 UNL1111111111 0.1501 37 H -0.1212 -3.3604 1.7979 H 1 UNL1111111111 0.1510 38 H -0.8378 -2.7946 0.2772 H 1 UNL1111111111 0.1438 39 H 1.1860 -4.1780 -0.1697 H 1 UNL1111111111 0.1456 40 H 2.1679 -3.1716 0.8901 H 1 UNL1111111111 0.1584 41 H -0.0562 3.8722 1.6995 H 1 UNL1111111111 0.1502 42 H 0.0326 2.2268 2.3351 H 1 UNL1111111111 0.1604 43 H -0.8203 -0.8806 1.8210 H 1 UNL1111111111 0.1772 44 H 0.3674 -0.5556 0.5572 H 1 UNL1111111111 0.1942 45 H 0.7741 -2.1059 -1.6756 H 1 UNL1111111111 0.1445 46 H 1.2327 1.3985 0.3969 H 1 UNL1111111111 0.1572 47 H 3.9536 -1.1023 -2.8869 H 1 UNL1111111111 0.1516 48 H 2.2342 -0.7604 -3.0628 H 1 UNL1111111111 0.1505 49 H 3.6164 -1.7818 -0.4767 H 1 UNL1111111111 0.1457 50 H 2.6251 3.7228 -2.2137 H 1 UNL1111111111 0.1504 51 H 3.5935 3.0895 -0.8806 H 1 UNL1111111111 0.1531 52 H 1.2591 4.4020 -0.3766 H 1 UNL1111111111 0.1397 53 H 4.2443 0.7760 -1.2784 H 1 UNL1111111111 0.1440 54 H 1.4500 1.4682 -2.4418 H 1 UNL1111111111 0.1517 55 H 2.2573 0.3783 3.2659 H 1 UNL1111111111 0.3547 @BOND 1 1 4 1 2 1 35 1 3 2 23 1 4 2 55 1 5 3 23 2 6 4 5 1 7 4 6 1 8 4 24 1 9 5 7 1 10 5 25 1 11 5 26 1 12 6 8 1 13 6 27 1 14 6 28 1 15 7 9 1 16 7 29 1 17 7 30 1 18 8 31 1 19 8 32 1 20 8 33 1 21 9 10 2 22 9 34 1 23 10 13 1 24 10 36 1 25 11 12 1 26 11 14 1 27 11 37 1 28 11 38 1 29 12 15 1 30 12 39 1 31 12 40 1 32 13 16 1 33 13 41 1 34 13 42 1 35 14 23 1 36 14 43 1 37 14 44 1 38 15 18 2 39 15 45 1 40 16 20 2 41 16 46 1 42 17 18 1 43 17 21 1 44 17 47 1 45 17 48 1 46 18 49 1 47 19 20 1 48 19 22 1 49 19 50 1 50 19 51 1 51 20 52 1 52 21 22 2 53 21 53 1 54 22 54 1