@MOLECULE 3-{[(3-{4-[(methylsulfonyl)amino]phenyl}-4-oxo-4h-chromen-7-yl)oxy]methyl}benzoic acid 52 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -8.8623 -0.5508 -0.0558 S.O2 1 UNL1 2.3917 2 O -0.0906 2.0833 0.0308 O.2 1 UNL1 -0.2525 3 O 4.1560 0.3431 -0.4380 O.3 1 UNL1 -0.3224 4 O -1.9198 -1.5318 -0.4534 O.2 1 UNL1 -0.4616 5 O -10.1113 -0.1383 0.5358 O.2 1 UNL1 -0.9041 6 O -8.5925 -0.3718 -1.4561 O.2 1 UNL1 -0.8912 7 O 10.9670 -0.2955 0.9480 O.3 1 UNL1 -0.5566 8 O 9.7659 -2.1469 1.2358 O.2 1 UNL1 -0.5011 9 N -7.6881 0.3492 0.8773 N.pl3 1 UNL1 -0.8624 10 C 0.0803 -0.3082 -0.3343 C.ar 1 UNL1 -0.3369 11 C -2.1110 0.7797 0.0292 C.ar 1 UNL1 -0.2434 12 C -3.5550 0.7038 0.2071 C.ar 1 UNL1 -0.0696 13 C 0.6565 0.9565 -0.1768 C.ar 1 UNL1 0.3132 14 C -1.3763 -0.4666 -0.2698 C.ar 1 UNL1 0.5064 15 C 2.8390 0.0418 -0.4263 C.ar 1 UNL1 0.3381 16 C 2.0316 1.1671 -0.2181 C.ar 1 UNL1 -0.3650 17 C 0.9214 -1.4053 -0.5532 C.ar 1 UNL1 0.0496 18 C -1.4402 1.9415 0.1389 C.ar 1 UNL1 0.1192 19 C -6.3258 0.4948 0.5840 C.ar 1 UNL1 0.2773 20 C -4.1714 1.3550 1.2811 C.ar 1 UNL1 -0.0872 21 C -4.3399 -0.0355 -0.6846 C.ar 1 UNL1 -0.0422 22 C 2.2981 -1.2429 -0.6016 C.ar 1 UNL1 -0.3687 23 C -5.5423 1.2615 1.4710 C.ar 1 UNL1 -0.2854 24 C -5.7142 -0.1366 -0.5113 C.ar 1 UNL1 -0.2865 25 C 5.0829 -0.7418 -0.5907 C.3 1 UNL1 -0.0520 26 C 6.4305 -0.1009 -0.4605 C.ar 1 UNL1 -0.0605 27 C 7.4757 -0.8135 0.1233 C.ar 1 UNL1 -0.0932 28 C 6.6422 1.1986 -0.9271 C.ar 1 UNL1 -0.0820 29 C 8.7350 -0.2188 0.2314 C.ar 1 UNL1 -0.1450 30 C -8.5204 -2.2319 0.3759 C.3 1 UNL1 -0.7536 31 C 7.8988 1.7883 -0.8050 C.ar 1 UNL1 -0.1801 32 C 8.9514 1.0815 -0.2273 C.ar 1 UNL1 -0.0650 33 C 9.8130 -1.0080 0.8451 C.2 1 UNL1 0.6412 34 H 2.4636 2.1546 -0.0874 H 1 UNL1 0.1972 35 H 0.4704 -2.3962 -0.6845 H 1 UNL1 0.1756 36 H -1.8433 2.9354 0.3244 H 1 UNL1 0.1813 37 H -3.5699 1.9286 1.9853 H 1 UNL1 0.1464 38 H -3.8647 -0.5451 -1.5268 H 1 UNL1 0.1670 39 H 2.9349 -2.1032 -0.7743 H 1 UNL1 0.1731 40 H -6.0069 1.7685 2.3110 H 1 UNL1 0.1555 41 H -6.2930 -0.6826 -1.2559 H 1 UNL1 0.1846 42 H 4.8943 -1.4963 0.1974 H 1 UNL1 0.1487 43 H 4.9413 -1.1945 -1.5924 H 1 UNL1 0.1476 44 H -8.0684 1.0055 1.5593 H 1 UNL1 0.3250 45 H 7.3248 -1.8301 0.4970 H 1 UNL1 0.1763 46 H 5.8196 1.7545 -1.3831 H 1 UNL1 0.1691 47 H -7.5051 -2.3739 0.7751 H 1 UNL1 0.1987 48 H -9.2153 -2.6078 1.1405 H 1 UNL1 0.1948 49 H -8.6074 -2.9006 -0.4929 H 1 UNL1 0.1960 50 H 8.0589 2.8043 -1.1629 H 1 UNL1 0.1608 51 H 9.9389 1.5404 -0.1331 H 1 UNL1 0.1753 52 H 11.7044 -0.8092 1.3638 H 1 UNL1 0.3585 @BOND 1 43 25 1 2 38 21 1 3 6 1 2 4 46 28 1 5 41 24 1 6 50 31 1 7 28 31 ar 8 28 26 ar 9 31 32 ar 10 39 22 1 11 21 24 ar 12 21 12 ar 13 35 17 1 14 22 17 ar 15 22 15 ar 16 25 26 1 17 25 3 1 18 25 42 1 19 17 10 ar 20 24 19 ar 21 49 30 1 22 26 27 ar 23 4 14 2 24 3 15 1 25 15 16 ar 26 10 14 ar 27 10 13 ar 28 14 11 ar 29 32 51 1 30 32 29 ar 31 16 13 ar 32 16 34 1 33 13 2 ar 34 1 30 1 35 1 5 2 36 1 9 1 37 11 18 ar 38 11 12 1 39 2 18 ar 40 27 29 ar 41 27 45 1 42 18 36 1 43 12 20 ar 44 29 33 1 45 30 47 1 46 30 48 1 47 19 9 1 48 19 23 ar 49 33 7 1 50 33 8 2 51 9 44 1 52 7 52 1 53 20 23 ar 54 20 37 1 55 23 40 1