@MOLECULE 2-(5-carbamimidoyl-2-hydroxyphenoxy)-4-(3-carboxy-1-piperidinyl)-3,5-difluoro-6-[3-(1-methyl-1h-imidazol-2-yl)phenoxy]pyridinium 42 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 1.3883 1.8028 0.1821 F 1 UNL1 -0.0869 2 F -3.2710 1.5016 -0.6198 F 1 UNL1 -0.0632 3 O -4.2921 5.2679 0.9520 O.co2 1 UNL1 -0.0596 4 O -3.3427 7.2648 0.7436 O.co2 1 UNL1 -0.4333 5 O 1.4260 -1.0087 0.4392 O.3 1 UNL1 -0.1148 6 O -3.1031 -1.1367 -0.4327 O.2 1 UNL1 -0.1522 7 O -2.3268 -1.5970 2.3073 O.2 1 UNL1 -0.2950 8 N -1.0032 3.1947 -0.3586 N.pl3 1 UNL1 -0.2684 9 N -0.7957 -1.0446 -0.0182 N.2 1 UNL1 -0.4025 10 N 7.6188 -0.8419 -0.1480 N.ar 1 UNL1 -0.5504 11 N 6.3781 -1.4752 1.7154 N.ar 1 UNL1 -0.3305 12 N -4.7977 -5.6297 -2.1813 N.2 1 UNL1 -0.1895 13 N -4.5867 -7.0681 -0.3163 N.pl3 1 UNL1 -0.3045 14 C -2.1544 5.3118 0.0545 C.2 1 UNL1 -0.3798 15 C -1.0879 5.8718 -0.5723 C.2 1 UNL1 0.2348 16 C -2.1030 3.8755 0.1672 C.3 1 UNL1 0.2168 17 C -0.0669 5.1949 -1.0560 C.2 1 UNL1 -0.2180 18 C 0.0142 3.8871 -0.9705 C.2 1 UNL1 0.2284 19 C -0.9394 1.7810 -0.2439 C.2 1 UNL1 0.1652 20 C -3.2923 6.0629 0.6085 C.2 1 UNL1 0.5221 21 C 0.2743 1.1199 0.0156 C.3 1 UNL1 -0.0230 22 C -2.0880 0.9874 -0.3705 C.2 1 UNL1 0.0315 23 C 0.3083 -0.2829 0.1089 C.2 1 UNL1 0.3174 24 C -1.9603 -0.4113 -0.2293 C.2 1 UNL1 0.3198 25 C 2.5446 -0.6765 -0.2921 C.ar 1 UNL1 0.0110 26 C -3.1306 -2.3624 0.1579 C.2 1 UNL1 0.0356 27 C 3.7846 -0.8870 0.2728 C.ar 1 UNL1 0.1134 28 C 5.0503 -0.7415 -0.2792 C.ar 1 UNL1 -0.1158 29 C 2.5950 -0.2427 -1.6174 C.ar 1 UNL1 0.1265 30 C -3.6323 -3.4349 -0.4914 C.2 1 UNL1 0.0032 31 C -2.7197 -2.5106 1.6412 C.2 1 UNL1 0.4389 32 C 6.2539 -1.0096 0.4051 C.ar 1 UNL1 0.1951 33 C 4.8757 -0.2969 -1.5870 C.ar 1 UNL1 0.0652 34 C 3.7876 -0.0545 -2.2380 C.ar 1 UNL1 -0.1024 35 C -3.8853 -4.7572 -0.1255 C.3 1 UNL1 0.0241 36 C -2.9846 -3.8881 1.9402 C.2 1 UNL1 -0.1230 37 C -3.4641 -4.8123 1.2118 C.2 1 UNL1 0.0257 38 C 8.5793 -1.2062 0.8401 C.ar 1 UNL1 0.3638 39 C 7.8669 -0.4147 -1.3844 C.3 1 UNL1 0.2694 40 C 7.6378 -1.5802 1.9498 C.ar 1 UNL1 0.0347 41 C -4.4464 -5.8017 -0.9650 C.2 1 UNL1 0.2111 42 H -4.9663 -7.7976 -0.9003 H 1 UNL1 0.2592 @BOND 1 34 29 ar 2 34 33 ar 3 12 41 2 4 29 25 ar 5 33 28 ar 6 39 10 1 7 17 18 2 8 17 15 1 9 18 8 1 10 41 13 1 11 41 35 1 12 42 13 1 13 2 22 1 14 15 14 2 15 30 35 1 16 30 26 2 17 6 24 1 18 6 26 1 19 22 19 2 20 22 24 1 21 8 19 1 22 8 16 1 23 25 27 ar 24 25 5 1 25 28 27 ar 26 28 32 1 27 19 21 1 28 24 9 2 29 10 32 ar 30 10 38 ar 31 35 37 1 32 9 23 2 33 21 23 1 34 21 1 1 35 14 16 1 36 14 20 1 37 23 5 1 38 26 31 1 39 32 11 ar 40 20 4 ar 41 20 3 ar 42 38 40 ar 43 37 36 2 44 31 36 1 45 31 7 2 46 11 40 ar