@MOLECULE (5e,8e,11e,14e)-20-(~18~f)fluoro-5,8,11,14-icosatetraenoic acid 54 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 11.5117 1.5215 0.5239 F 1 UNL1 -0.2182 2 C -8.7297 -0.2080 -0.8861 C.3 1 UNL1 -0.3489 3 C -7.5691 0.5518 -0.2402 C.3 1 UNL1 -0.2482 4 C -6.5168 0.9316 -1.2916 C.3 1 UNL1 -0.2758 5 C -3.0150 2.0040 -0.0037 C.3 1 UNL1 -0.2875 6 C -0.2020 -0.0675 1.6953 C.3 1 UNL1 -0.2844 7 C 2.6442 -2.1736 0.0961 C.3 1 UNL1 -0.2856 8 C 6.1687 -1.1152 -1.1441 C.3 1 UNL1 -0.2798 9 C 7.2249 -0.7076 -0.1051 C.3 1 UNL1 -0.2605 10 C 8.3809 0.0450 -0.7754 C.3 1 UNL1 -0.2701 11 C 9.4350 0.4399 0.2636 C.3 1 UNL1 -0.3132 12 C 10.5882 1.1859 -0.4178 C.3 1 UNL1 -0.0523 13 O -9.7839 -0.2859 1.3164 O.2 1 UNL1 -0.5042 14 O -10.7672 -1.2605 -0.4271 O.3 1 UNL1 -0.5751 15 C -9.7558 -0.5492 0.1442 C.2 1 UNL1 0.6465 16 H -11.4801 -1.5163 0.2062 H 1 UNL1 0.3561 17 C -5.4009 1.6776 -0.6327 C.2 1 UNL1 -0.1719 18 C -4.1302 1.2719 -0.6828 C.2 1 UNL1 -0.1526 19 C -2.2691 1.0582 0.8858 C.2 1 UNL1 -0.1610 20 C -0.9473 0.8870 0.8146 C.2 1 UNL1 -0.1573 21 C 0.5604 -1.0347 0.8435 C.2 1 UNL1 -0.1584 22 C 1.8777 -1.2179 0.9570 C.2 1 UNL1 -0.1595 23 C 3.7729 -1.4493 -0.5702 C.2 1 UNL1 -0.1562 24 C 5.0457 -1.8418 -0.4768 C.2 1 UNL1 -0.1703 25 H -9.1972 0.3917 -1.6978 H 1 UNL1 0.1811 26 H -8.3714 -1.1353 -1.3851 H 1 UNL1 0.1819 27 H -7.9443 1.4579 0.2771 H 1 UNL1 0.1550 28 H -7.1033 -0.0631 0.5571 H 1 UNL1 0.1578 29 H -6.1501 0.0215 -1.8072 H 1 UNL1 0.1439 30 H -6.9711 1.5606 -2.0850 H 1 UNL1 0.1466 31 H -5.7029 2.5763 -0.0980 H 1 UNL1 0.1468 32 H -3.8235 0.3737 -1.2161 H 1 UNL1 0.1475 33 H -2.3493 2.4598 -0.7687 H 1 UNL1 0.1541 34 H -3.3905 2.8607 0.5976 H 1 UNL1 0.1550 35 H -2.8926 0.5164 1.5947 H 1 UNL1 0.1497 36 H -0.3248 1.4289 0.1047 H 1 UNL1 0.1480 37 H 0.4704 0.5012 2.3743 H 1 UNL1 0.1541 38 H -0.8869 -0.6262 2.3701 H 1 UNL1 0.1544 39 H -0.0449 -1.5745 0.1176 H 1 UNL1 0.1480 40 H 2.4833 -0.6774 1.6822 H 1 UNL1 0.1484 41 H 3.0082 -3.0220 0.7157 H 1 UNL1 0.1536 42 H 1.9960 -2.6398 -0.6780 H 1 UNL1 0.1538 43 H 3.4734 -0.5698 -1.1376 H 1 UNL1 0.1479 44 H 5.3426 -2.7186 0.0951 H 1 UNL1 0.1447 45 H 5.8089 -0.2174 -1.6851 H 1 UNL1 0.1435 46 H 6.6257 -1.7651 -1.9191 H 1 UNL1 0.1464 47 H 6.7569 -0.0751 0.6735 H 1 UNL1 0.1437 48 H 7.6054 -1.6032 0.4209 H 1 UNL1 0.1393 49 H 8.8362 -0.5860 -1.5622 H 1 UNL1 0.1380 50 H 7.9951 0.9450 -1.2911 H 1 UNL1 0.1387 51 H 8.9787 1.0704 1.0520 H 1 UNL1 0.1538 52 H 9.8128 -0.4604 0.7873 H 1 UNL1 0.1533 53 H 10.2350 2.1211 -0.9100 H 1 UNL1 0.1300 54 H 11.0867 0.5509 -1.1859 H 1 UNL1 0.1297 @BOND 1 30 4 1 2 46 8 1 3 29 4 1 4 25 2 1 5 45 8 1 6 49 10 1 7 26 2 1 8 4 17 1 9 4 3 1 10 50 10 1 11 32 18 1 12 54 12 1 13 8 24 1 14 8 9 1 15 43 23 1 16 53 12 1 17 2 3 1 18 2 15 1 19 10 9 1 20 10 11 1 21 33 5 1 22 18 17 2 23 18 5 1 24 42 7 1 25 17 31 1 26 23 24 2 27 23 7 1 28 24 44 1 29 14 15 1 30 14 16 1 31 12 11 1 32 12 1 1 33 3 27 1 34 3 28 1 35 9 48 1 36 9 47 1 37 5 34 1 38 5 19 1 39 7 41 1 40 7 22 1 41 36 20 1 42 39 21 1 43 15 13 2 44 11 52 1 45 11 51 1 46 20 19 2 47 20 6 1 48 21 22 2 49 21 6 1 50 19 35 1 51 22 40 1 52 6 38 1 53 6 37 1