@MOLECULE (2s)-({(2r)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimidoylphenyl)amino]acetyl}amino)(phenyl)acetic acid 41 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.3188 0.8302 0.0905 O.3 1 UNL1 -0.3236 2 O -1.6577 2.6317 -1.1290 O.2 1 UNL1 -0.3918 3 O 2.8598 -1.9785 -1.9732 O.2 1 UNL1 -0.4561 4 O -4.4725 4.0216 1.7108 O.2 2 UNL2 -0.3217 5 O -2.7874 2.4761 2.1907 O.2 2 UNL2 -0.3324 6 N -1.9947 -0.7583 -0.1524 N.ar 1 UNL1 -0.2867 7 N -3.4906 1.2970 -1.1313 N.am 1 UNL1 -0.2899 8 N 1.3695 -6.0925 1.8638 N.2 1 UNL1 -0.1572 9 N 1.2853 -6.2309 -0.4899 N.pl3 1 UNL1 -0.3593 10 C -1.3544 0.3660 -0.4226 C.ar 1 UNL1 0.1123 11 C 0.0576 0.5099 -0.3159 C.ar 1 UNL1 -0.0624 12 C -2.1510 1.5627 -0.8719 C.2 1 UNL1 0.5562 13 C -4.5669 1.2536 -0.5917 C.3 1 UNL1 0.1177 14 C 0.8710 -0.6383 0.0644 C.ar 1 UNL1 0.0276 15 C 0.8162 1.6410 -0.5206 C.ar 1 UNL1 0.0328 16 C -1.2715 -1.8662 0.1757 C.ar 1 UNL1 0.1813 17 C -5.9347 0.9917 -0.5177 C.ar 1 UNL1 -0.0065 18 C 2.2319 -0.4104 0.1674 C.ar 1 UNL1 -0.0241 19 C 2.9622 0.7410 -0.0345 C.ar 1 UNL1 0.2269 20 C 2.0943 1.7682 -0.4005 C.ar 1 UNL1 -0.0478 21 C -1.7913 -3.1347 0.3865 C.ar 1 UNL1 -0.0305 22 C 0.1986 -1.8758 0.2640 C.ar 1 UNL1 -0.0822 23 C -3.6287 3.2505 1.9499 C.1 2 UNL2 0.6540 24 C -6.7763 0.6717 -1.5957 C.ar 1 UNL1 0.0514 25 C -6.6699 1.0174 0.6724 C.ar 1 UNL1 0.0537 26 C -1.1436 -4.2353 0.5657 C.ar 1 UNL1 0.0100 27 C 0.7824 -3.1120 0.4681 C.ar 1 UNL1 0.0556 28 C 0.2417 -4.3684 0.5962 C.ar 1 UNL1 -0.0378 29 C 4.7509 2.0930 -0.0896 C.3 1 UNL1 0.3822 30 C -8.0708 0.4344 -1.4892 C.ar 1 UNL1 -0.0532 31 C -7.9670 0.7763 0.7611 C.ar 1 UNL1 -0.0514 32 C -8.6993 0.4825 -0.3138 C.ar 1 UNL1 0.0681 33 C 6.2159 2.1516 0.0266 C.ar 1 UNL1 -0.2634 34 C 0.9992 -5.6308 0.6663 C.2 1 UNL1 0.2360 35 C 3.6469 -2.7637 -1.7171 C.2 1 UNL1 0.4572 36 C 6.9190 3.2245 -0.5260 C.ar 1 UNL1 0.0855 37 C 7.0924 1.3124 0.7102 C.ar 1 UNL1 0.0591 38 C 8.2247 3.4149 -0.4157 C.ar 1 UNL1 -0.0686 39 C 8.3952 1.5137 0.8282 C.ar 1 UNL1 -0.0688 40 C 8.9924 2.5662 0.2690 C.ar 1 UNL1 0.0772 41 H 1.7883 -7.1078 -0.4732 H 1 UNL1 0.2705 @BOND 1 3 35 2 2 24 30 ar 3 24 17 ar 4 30 32 ar 5 7 12 am 6 7 13 1 7 2 12 2 8 12 10 1 9 13 17 1 10 36 38 ar 11 36 33 ar 12 15 20 ar 13 15 11 ar 14 17 25 ar 15 9 41 1 16 9 34 1 17 10 11 ar 18 10 6 ar 19 38 40 ar 20 20 19 ar 21 11 14 ar 22 32 31 ar 23 6 16 ar 24 29 33 1 25 29 1 1 26 19 1 1 27 19 18 ar 28 33 37 ar 29 14 18 ar 30 14 22 ar 31 16 22 ar 32 16 21 ar 33 22 27 ar 34 40 39 ar 35 21 26 ar 36 27 28 ar 37 26 28 ar 38 28 34 1 39 34 8 2 40 25 31 ar 41 37 39 ar 42 4 23 2 43 23 5 2