@MOLECULE 2-(3-chlorophenoxy)-3-fluoro-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-1-piperidinyl]methyl}benzoic acid 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 8.3536 -1.5441 1.1377 C.3 1 UNL1 -0.4073 2 C 7.3822 -0.5645 0.5945 C.ar 1 UNL1 -0.2268 3 C 6.0457 -0.6531 0.8098 C.ar 1 UNL1 0.1015 4 N 5.1575 0.2828 0.2976 N.ar 1 UNL1 -0.4700 5 C 5.6098 1.3846 -0.4561 C.ar 1 UNL1 0.7042 6 O 4.8503 2.2181 -0.9049 O.2 1 UNL1 -0.5215 7 N 6.9864 1.4694 -0.6764 N.ar 1 UNL1 -0.6226 8 C 7.9379 0.5328 -0.1911 C.ar 1 UNL1 0.6026 9 O 9.0965 0.7275 -0.4719 O.2 1 UNL1 -0.4722 10 C 3.7120 0.1396 0.5823 C.3 1 UNL1 0.1043 11 C 3.1814 1.3278 1.4030 C.3 1 UNL1 -0.3097 12 C 1.6987 1.0765 1.6875 C.3 1 UNL1 -0.2734 13 C 0.9267 0.8721 0.3716 C.3 1 UNL1 -0.1112 14 N 1.5138 -0.2767 -0.3680 N.3 1 UNL1 -0.4242 15 C 2.9168 0.0134 -0.7464 C.3 1 UNL1 -0.1554 16 C 0.7015 -0.6019 -1.5710 C.3 1 UNL1 -0.1230 17 C -0.5488 -1.2876 -1.0907 C.ar 1 UNL1 0.0087 18 C -0.4594 -2.5573 -0.5078 C.ar 1 UNL1 -0.1555 19 C -1.5869 -3.2002 -0.0075 C.ar 1 UNL1 -0.0796 20 C -2.8359 -2.5745 -0.0549 C.ar 1 UNL1 -0.1628 21 C -2.9414 -1.3163 -0.6456 C.ar 1 UNL1 0.1796 22 C -1.8043 -0.6879 -1.1668 C.ar 1 UNL1 0.0659 23 F -1.9625 0.5008 -1.7206 F 1 UNL1 -0.1310 24 O -4.1825 -0.7611 -0.8279 O.3 1 UNL1 -0.2700 25 C -4.4657 0.3603 -0.0841 C.ar 1 UNL1 0.2720 26 C -3.6886 0.8332 0.9722 C.ar 1 UNL1 -0.2782 27 C -4.1140 1.9723 1.6543 C.ar 1 UNL1 -0.0539 28 C -5.2930 2.6213 1.2903 C.ar 1 UNL1 -0.2379 29 C -6.0353 2.1047 0.2334 C.ar 1 UNL1 0.0886 30 C -5.6569 0.9802 -0.4806 C.ar 1 UNL1 -0.2550 31 CL -7.4856 2.8949 -0.2117 Cl 1 UNL1 -0.0796 32 C -4.0268 -3.2136 0.5273 C.2 1 UNL1 0.6468 33 O -4.9468 -2.7087 1.1115 O.2 1 UNL1 -0.4625 34 O -3.9675 -4.5638 0.3546 O.3 1 UNL1 -0.5573 35 H 9.1329 -1.7909 0.3944 H 1 UNL1 0.1747 36 H 8.8876 -1.1327 2.0109 H 1 UNL1 0.1652 37 H 7.8890 -2.4880 1.4473 H 1 UNL1 0.1473 38 H 5.6026 -1.4689 1.3956 H 1 UNL1 0.1727 39 H 7.3214 2.2645 -1.2287 H 1 UNL1 0.3482 40 H 3.5635 -0.8076 1.1704 H 1 UNL1 0.1527 41 H 3.7512 1.4458 2.3411 H 1 UNL1 0.1471 42 H 3.3128 2.2793 0.8454 H 1 UNL1 0.1786 43 H 1.5751 0.1859 2.3340 H 1 UNL1 0.1476 44 H 1.2646 1.9264 2.2457 H 1 UNL1 0.1456 45 H -0.1350 0.6329 0.5991 H 1 UNL1 0.1429 46 H 0.9321 1.8106 -0.2243 H 1 UNL1 0.1308 47 H 3.0250 0.9372 -1.3579 H 1 UNL1 0.1614 48 H 3.3170 -0.8304 -1.3459 H 1 UNL1 0.1440 49 H 0.4884 0.2880 -2.2035 H 1 UNL1 0.1459 50 H 1.2801 -1.3000 -2.2223 H 1 UNL1 0.1558 51 H 0.5197 -3.0347 -0.4311 H 1 UNL1 0.1750 52 H -1.5012 -4.1979 0.4321 H 1 UNL1 0.1776 53 H -2.7787 0.3230 1.2741 H 1 UNL1 0.1704 54 H -3.5192 2.3567 2.4836 H 1 UNL1 0.1552 55 H -5.6214 3.5092 1.8270 H 1 UNL1 0.1750 56 H -6.2419 0.5773 -1.3060 H 1 UNL1 0.1962 57 H -4.7561 -5.0368 0.7204 H 1 UNL1 0.3564 @BOND 1 50 16 1 2 49 16 1 3 23 22 1 4 16 17 1 5 16 14 1 6 47 15 1 7 48 15 1 8 56 30 1 9 39 7 1 10 22 17 ar 11 22 21 ar 12 17 18 ar 13 6 5 2 14 24 21 1 15 24 25 1 16 15 14 1 17 15 10 1 18 7 5 ar 19 7 8 ar 20 21 20 ar 21 18 51 1 22 18 19 ar 23 30 25 ar 24 30 29 ar 25 9 8 2 26 5 4 ar 27 14 13 1 28 46 13 1 29 31 29 1 30 8 2 ar 31 25 26 ar 32 20 19 ar 33 20 32 1 34 19 52 1 35 29 28 ar 36 4 10 1 37 4 3 ar 38 34 32 1 39 34 57 1 40 13 45 1 41 13 12 1 42 35 1 1 43 32 33 2 44 10 40 1 45 10 11 1 46 2 3 ar 47 2 1 1 48 3 38 1 49 42 11 1 50 26 53 1 51 26 27 ar 52 1 37 1 53 1 36 1 54 28 27 ar 55 28 55 1 56 11 12 1 57 11 41 1 58 27 54 1 59 12 44 1 60 12 43 1