@MOLECULE (5z,8z,11z,14z)-20-(~18~f)fluoro-5,8,11,14-icosatetraenoic acid 54 53 0 0 0 SMALL GASTEIGER @ATOM 1 F 2.2066 0.3660 -2.5998 F 1 UNL1111111111 -0.2233 2 O 4.8865 1.1087 1.2291 O.3 1 UNL1111111111 -0.5764 3 O 3.0619 0.3823 2.2798 O.2 1 UNL1111111111 -0.5123 4 C 1.9421 -3.2333 -0.1720 C.3 1 UNL1111111111 -0.2621 5 C 1.5044 -2.0677 -1.0653 C.3 1 UNL1111111111 -0.2578 6 C 1.1078 -3.2990 1.1167 C.3 1 UNL1111111111 -0.2799 7 C 2.3974 -1.9737 -2.3097 C.3 1 UNL1111111111 -0.3144 8 C -0.3298 -3.5835 0.8210 C.2 1 UNL1111111111 -0.1603 9 C 1.9965 -0.8202 -3.2327 C.3 1 UNL1111111111 -0.0486 10 C 1.3935 2.2448 0.9233 C.3 1 UNL1111111111 -0.2402 11 C 0.7303 3.3534 0.0913 C.3 1 UNL1111111111 -0.2761 12 C -1.3184 -2.7680 1.1961 C.2 1 UNL1111111111 -0.1593 13 C -2.7658 -3.0623 0.9489 C.3 1 UNL1111111111 -0.2883 14 C 2.9080 2.2357 0.6950 C.3 1 UNL1111111111 -0.3517 15 C -0.7479 3.3649 0.3231 C.2 1 UNL1111111111 -0.1622 16 C -3.1258 3.2793 -0.4080 C.3 1 UNL1111111111 -0.2884 17 C -3.3806 -1.9444 0.1638 C.2 1 UNL1111111111 -0.1426 18 C -1.6490 3.2155 -0.6518 C.2 1 UNL1111111111 -0.1514 19 C -5.0193 -0.0969 -0.1698 C.3 1 UNL1111111111 -0.2869 20 C -4.3902 -1.2017 0.6236 C.2 1 UNL1111111111 -0.1647 21 C -3.7632 1.9666 -0.7413 C.2 1 UNL1111111111 -0.1588 22 C -4.3605 1.2027 0.1771 C.2 1 UNL1111111111 -0.1472 23 C 3.5497 1.1533 1.4956 C.2 1 UNL1111111111 0.6527 24 H 1.8602 -4.1872 -0.7233 H 1 UNL1111111111 0.1317 25 H 3.0115 -3.1251 0.0945 H 1 UNL1111111111 0.1346 26 H 0.4426 -2.1935 -1.3585 H 1 UNL1111111111 0.1444 27 H 1.5444 -1.1217 -0.4925 H 1 UNL1111111111 0.1507 28 H 1.5101 -4.0930 1.7819 H 1 UNL1111111111 0.1434 29 H 1.2323 -2.3562 1.6889 H 1 UNL1111111111 0.1573 30 H 3.4573 -1.8683 -2.0026 H 1 UNL1111111111 0.1509 31 H 2.3456 -2.9225 -2.8803 H 1 UNL1111111111 0.1431 32 H -0.5109 -4.5123 0.2839 H 1 UNL1111111111 0.1387 33 H 2.6105 -0.8241 -4.1648 H 1 UNL1111111111 0.1233 34 H 0.9201 -0.8775 -3.5215 H 1 UNL1111111111 0.1331 35 H 0.9586 1.2618 0.6531 H 1 UNL1111111111 0.1593 36 H 1.1684 2.3791 1.9999 H 1 UNL1111111111 0.1528 37 H 0.9771 3.2175 -0.9813 H 1 UNL1111111111 0.1471 38 H 1.1526 4.3420 0.3688 H 1 UNL1111111111 0.1430 39 H -1.1332 -1.8289 1.7134 H 1 UNL1111111111 0.1540 40 H -3.2839 -3.2111 1.9217 H 1 UNL1111111111 0.1519 41 H -2.9003 -4.0220 0.4045 H 1 UNL1111111111 0.1492 42 H 3.3559 3.2198 0.9546 H 1 UNL1111111111 0.1792 43 H 3.1447 2.0876 -0.3836 H 1 UNL1111111111 0.1887 44 H -1.0428 3.5151 1.3600 H 1 UNL1111111111 0.1439 45 H -3.5767 4.0785 -1.0394 H 1 UNL1111111111 0.1524 46 H -3.3510 3.5804 0.6380 H 1 UNL1111111111 0.1486 47 H -2.9315 -1.7777 -0.8134 H 1 UNL1111111111 0.1479 48 H -1.3648 3.0394 -1.6875 H 1 UNL1111111111 0.1451 49 H -6.1080 -0.0293 0.0522 H 1 UNL1111111111 0.1506 50 H -4.9628 -0.3054 -1.2581 H 1 UNL1111111111 0.1489 51 H -4.8153 -1.3497 1.6136 H 1 UNL1111111111 0.1427 52 H -3.7041 1.6819 -1.7888 H 1 UNL1111111111 0.1440 53 H -4.4022 1.4711 1.2267 H 1 UNL1111111111 0.1462 54 H 5.3691 0.4101 1.7315 H 1 UNL1111111111 0.3534 @BOND 1 1 9 1 2 2 23 1 3 2 54 1 4 3 23 2 5 4 5 1 6 4 6 1 7 4 24 1 8 4 25 1 9 5 7 1 10 5 26 1 11 5 27 1 12 6 8 1 13 6 28 1 14 6 29 1 15 7 9 1 16 7 30 1 17 7 31 1 18 8 12 2 19 8 32 1 20 9 33 1 21 9 34 1 22 10 11 1 23 10 14 1 24 10 35 1 25 10 36 1 26 11 15 1 27 11 37 1 28 11 38 1 29 12 13 1 30 12 39 1 31 13 17 1 32 13 40 1 33 13 41 1 34 14 23 1 35 14 42 1 36 14 43 1 37 15 18 2 38 15 44 1 39 16 18 1 40 16 21 1 41 16 45 1 42 16 46 1 43 17 20 2 44 17 47 1 45 18 48 1 46 19 20 1 47 19 22 1 48 19 49 1 49 19 50 1 50 20 51 1 51 21 22 2 52 21 52 1 53 22 53 1