@MOLECULE 6-{2-[2-(4-methyl-3-nitrophenoxy)-2-propanyl]-4-(3-pyridinyl)-1,3-dioxan-5-yl}-4-hexenoic acid 64 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.7833 0.0124 1.2531 O.3 1 UNL1 -0.4463 2 O 0.8874 1.2339 1.9977 O.3 1 UNL1 -0.4275 3 O 0.5799 -1.2687 1.0614 O.3 1 UNL1 -0.3370 4 O -5.2566 3.5404 1.1241 O.3 1 UNL1 -0.5800 5 O -2.8094 -0.6836 -2.3355 O.2 1 UNL1 -0.3990 6 O -3.5257 -2.6662 -2.7453 O.2 1 UNL1 -0.4029 7 O -4.5713 4.3644 -0.8256 O.2 1 UNL1 -0.5077 8 N 4.5918 -1.1348 -2.0693 N.ar 1 UNL1 -0.3654 9 N -2.9100 -1.8686 -2.0582 N.pl3 1 UNL1 0.6257 10 C 2.2083 2.1101 0.1728 C.3 1 UNL1 -0.1837 11 C 3.3407 1.1684 0.6413 C.3 1 UNL1 0.1131 12 C 1.8503 0.2513 2.2771 C.3 1 UNL1 0.2874 13 C 1.0312 -1.0830 2.4057 C.3 1 UNL1 0.2773 14 C 1.3996 2.4255 1.4367 C.3 1 UNL1 -0.0357 15 C 1.3423 1.4077 -0.8862 C.3 1 UNL1 -0.2859 16 C 4.1546 0.6383 -0.5002 C.ar 1 UNL1 -0.1295 17 C 1.9704 -2.2184 2.7833 C.3 1 UNL1 -0.4977 18 C -0.1087 -0.8577 3.3861 C.3 1 UNL1 -0.5066 19 C 0.0858 2.1571 -1.1915 C.2 1 UNL1 -0.1638 20 C 5.1876 1.3970 -1.0476 C.ar 1 UNL1 -0.1028 21 C 3.8871 -0.6307 -1.0423 C.ar 1 UNL1 0.0718 22 C -0.5112 -2.0181 0.7814 C.ar 1 UNL1 0.2308 23 C -1.0628 1.8746 -0.5689 C.2 1 UNL1 -0.1546 24 C 5.9159 0.8785 -2.1160 C.ar 1 UNL1 -0.2374 25 C -2.3571 2.5419 -0.8897 C.3 1 UNL1 -0.2653 26 C -1.1559 -1.6136 -0.3949 C.ar 1 UNL1 -0.1894 27 C 5.5849 -0.3943 -2.5975 C.ar 1 UNL1 0.0498 28 C -0.9549 -3.1403 1.4861 C.ar 1 UNL1 -0.2219 29 C -2.2573 -2.3399 -0.8420 C.ar 1 UNL1 -0.0495 30 C -3.1755 2.7660 0.3869 C.3 1 UNL1 -0.3372 31 C -2.0567 -3.8456 1.0171 C.ar 1 UNL1 -0.1458 32 C -2.7299 -3.4643 -0.1497 C.ar 1 UNL1 0.0413 33 C -3.8995 -4.2548 -0.6112 C.3 1 UNL1 -0.4513 34 C -4.3548 3.6369 0.1062 C.2 1 UNL1 0.6482 35 H 0.1688 2.9232 -1.9572 H 1 UNL1 0.1449 36 H -1.1116 1.1126 0.2129 H 1 UNL1 0.1570 37 H -6.0617 4.0955 0.9960 H 1 UNL1 0.3546 38 H 2.6360 3.0436 -0.2532 H 1 UNL1 0.1499 39 H 3.9883 1.6695 1.4000 H 1 UNL1 0.1275 40 H 2.3975 0.5235 3.2026 H 1 UNL1 0.1122 41 H 1.9946 2.9630 2.1942 H 1 UNL1 0.1117 42 H 0.4760 2.9974 1.2178 H 1 UNL1 0.1607 43 H 1.1043 0.3797 -0.5198 H 1 UNL1 0.1793 44 H 1.9329 1.2557 -1.8126 H 1 UNL1 0.1489 45 H 2.7841 -2.3090 2.0433 H 1 UNL1 0.1843 46 H 1.4624 -3.1879 2.8107 H 1 UNL1 0.1579 47 H 2.4319 -2.0574 3.7632 H 1 UNL1 0.1572 48 H -0.8693 -0.1905 2.9482 H 1 UNL1 0.1817 49 H 0.2395 -0.3744 4.3070 H 1 UNL1 0.1620 50 H -0.6109 -1.7846 3.6796 H 1 UNL1 0.1592 51 H 5.4231 2.3828 -0.6502 H 1 UNL1 0.1545 52 H 3.0824 -1.2687 -0.6456 H 1 UNL1 0.1963 53 H 6.7232 1.4464 -2.5675 H 1 UNL1 0.1636 54 H -2.9286 1.9033 -1.6054 H 1 UNL1 0.1782 55 H -2.2069 3.5030 -1.4253 H 1 UNL1 0.1625 56 H -0.7914 -0.7374 -0.9448 H 1 UNL1 0.2086 57 H 6.1233 -0.8515 -3.4353 H 1 UNL1 0.1695 58 H -0.4418 -3.4715 2.3852 H 1 UNL1 0.1646 59 H -2.5502 3.2393 1.1757 H 1 UNL1 0.1770 60 H -3.5007 1.7952 0.8221 H 1 UNL1 0.1841 61 H -2.4016 -4.7215 1.5678 H 1 UNL1 0.1585 62 H -3.6757 -4.7815 -1.5575 H 1 UNL1 0.1845 63 H -4.7762 -3.6205 -0.8227 H 1 UNL1 0.1745 64 H -4.2188 -5.0152 0.1129 H 1 UNL1 0.1534 @BOND 1 57 27 1 2 6 9 2 3 27 24 ar 4 27 8 ar 5 53 24 1 6 5 9 2 7 24 20 ar 8 8 21 ar 9 9 29 1 10 35 19 1 11 44 15 1 12 54 25 1 13 62 33 1 14 55 25 1 15 19 15 1 16 19 23 2 17 20 51 1 18 20 16 ar 19 21 52 1 20 21 16 ar 21 56 26 1 22 25 23 1 23 25 30 1 24 15 43 1 25 15 10 1 26 29 26 ar 27 29 32 ar 28 7 34 2 29 63 33 1 30 33 32 1 31 33 64 1 32 23 36 1 33 16 11 1 34 26 22 ar 35 38 10 1 36 32 31 ar 37 34 30 1 38 34 4 1 39 10 11 1 40 10 14 1 41 30 60 1 42 30 59 1 43 11 1 1 44 11 39 1 45 22 3 1 46 22 28 ar 47 37 4 1 48 31 28 ar 49 31 61 1 50 3 13 1 51 42 14 1 52 1 12 1 53 14 2 1 54 14 41 1 55 28 58 1 56 2 12 1 57 45 17 1 58 12 13 1 59 12 40 1 60 13 17 1 61 13 18 1 62 17 46 1 63 17 47 1 64 48 18 1 65 18 50 1 66 18 49 1