@MOLECULE 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2s)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoic acid 70 72 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0615 -0.0754 -0.7045 O.2 1 UNL1111111111 -0.4858 2 C -2.1032 -0.6715 -0.5447 C.2 1 UNL1111111111 0.5718 3 N -3.3208 -0.0467 -0.3365 N.am 1 UNL1111111111 -0.5300 4 C -3.5106 1.3499 -0.2761 C.ar 1 UNL1111111111 0.2477 5 C -4.8370 1.8155 -0.3686 C.ar 1 UNL1111111111 -0.2625 6 C -5.0940 3.1770 -0.2908 C.ar 1 UNL1111111111 -0.0541 7 C -4.0436 4.0797 -0.1066 C.ar 1 UNL1111111111 -0.1132 8 C -4.3342 5.5321 -0.0317 C.2 1 UNL1111111111 0.4303 9 N -3.7181 6.2024 1.0411 N.pl3 1 UNL1111111111 -0.7147 10 N -5.0657 6.0985 -0.9267 N.2 1 UNL1111111111 -0.6288 11 C -2.7298 3.6167 -0.0239 C.ar 1 UNL1111111111 -0.0840 12 C -2.4549 2.2564 -0.1068 C.ar 1 UNL1111111111 -0.2258 13 C -2.1390 -2.1811 -0.5002 C.ar 1 UNL1111111111 0.1333 14 N -3.3150 -2.7656 -0.8171 N.ar 1 UNL1111111111 -0.4852 15 C -3.3704 -4.1101 -0.7808 C.ar 1 UNL1111111111 0.4047 16 O -4.5120 -4.7463 -1.1004 O.3 1 UNL1111111111 -0.2973 17 C -5.6471 -3.9255 -1.3898 C.3 1 UNL1111111111 -0.1815 18 C -2.2776 -4.9377 -0.4325 C.ar 1 UNL1111111111 -0.2761 19 C -1.0881 -4.3133 -0.1097 C.ar 1 UNL1111111111 -0.0321 20 C -1.0003 -2.9088 -0.1443 C.ar 1 UNL1111111111 -0.1276 21 C 0.2667 -2.2461 0.1788 C.ar 1 UNL1111111111 0.1207 22 C 1.3283 -2.3670 -0.7232 C.ar 1 UNL1111111111 -0.1807 23 C 2.5247 -1.6979 -0.4854 C.ar 1 UNL1111111111 -0.0681 24 C 0.4297 -1.4938 1.3509 C.ar 1 UNL1111111111 -0.1547 25 C -0.6777 -1.3889 2.3129 C.2 1 UNL1111111111 0.6489 26 O -1.6940 -2.0364 2.3595 O.2 1 UNL1111111111 -0.5137 27 O -0.4534 -0.4069 3.2252 O.3 1 UNL1111111111 -0.5461 28 C 1.6317 -0.8256 1.5909 C.ar 1 UNL1111111111 0.0005 29 C 2.6652 -0.9153 0.6603 C.ar 1 UNL1111111111 -0.1635 30 C 3.9179 -0.1640 0.9430 C.2 1 UNL1111111111 0.5777 31 O 4.4377 -0.1350 2.0410 O.2 1 UNL1111111111 -0.5256 32 N 4.4270 0.5632 -0.1130 N.am 1 UNL1111111111 -0.5983 33 CA 5.6952 1.2840 0.0210 C.3 1 UNL1111111111 0.0139 34 C 5.4687 2.7366 -0.4750 C.3 1 UNL1111111111 -0.0276 35 O 4.6910 2.7686 -1.6529 O.3 1 UNL1111111111 -0.5414 36 C 6.8551 0.5419 -0.7225 C.3 1 UNL1111111111 0.0961 37 C 8.1722 1.2779 -0.4256 C.3 1 UNL1111111111 -0.4707 38 C 6.9652 -0.8909 -0.1748 C.3 1 UNL1111111111 -0.4653 39 C 6.6152 0.4934 -2.2339 C.3 1 UNL1111111111 -0.4635 40 H -4.1555 -0.6368 -0.2953 H 1 UNL1111111111 0.3375 41 H -5.6574 1.1173 -0.5118 H 1 UNL1111111111 0.1616 42 H -6.1152 3.5531 -0.3858 H 1 UNL1111111111 0.1677 43 H -3.3420 5.6790 1.8025 H 1 UNL1111111111 0.3008 44 H -3.9688 7.1445 1.2492 H 1 UNL1111111111 0.2932 45 H -5.2686 7.0790 -0.9048 H 1 UNL1111111111 0.2711 46 H -1.9087 4.3260 0.0959 H 1 UNL1111111111 0.1613 47 H -1.4203 1.9113 -0.0461 H 1 UNL1111111111 0.1986 48 H -5.9255 -3.3387 -0.5082 H 1 UNL1111111111 0.1447 49 H -5.4448 -3.2698 -2.2438 H 1 UNL1111111111 0.1493 50 H -6.4105 -4.6747 -1.6320 H 1 UNL1111111111 0.1483 51 H -2.3941 -6.0172 -0.4160 H 1 UNL1111111111 0.1869 52 H -0.2128 -4.9000 0.1797 H 1 UNL1111111111 0.1708 53 H 1.2056 -2.9650 -1.6256 H 1 UNL1111111111 0.1669 54 H 3.3451 -1.7912 -1.1971 H 1 UNL1111111111 0.1526 55 H -1.1907 -0.3097 3.8788 H 1 UNL1111111111 0.3567 56 H 1.7666 -0.2287 2.5016 H 1 UNL1111111111 0.1912 57 H 4.0541 0.4827 -1.0468 H 1 UNL1111111111 0.3170 58 HA 5.9712 1.3284 1.1142 H 1 UNL1111111111 0.1724 59 H1 4.9858 3.3484 0.3063 H 1 UNL1111111111 0.1212 60 H2 6.4152 3.2171 -0.7834 H 1 UNL1111111111 0.1461 61 H 3.7406 2.6714 -1.4413 H 1 UNL1111111111 0.3150 62 H 8.3381 1.3923 0.6512 H 1 UNL1111111111 0.1480 63 H 9.0286 0.7245 -0.8281 H 1 UNL1111111111 0.1512 64 H 8.1976 2.2740 -0.8795 H 1 UNL1111111111 0.1461 65 H 6.0990 -1.5005 -0.4495 H 1 UNL1111111111 0.1426 66 H 7.8572 -1.3950 -0.5601 H 1 UNL1111111111 0.1455 67 H 7.0278 -0.8969 0.9208 H 1 UNL1111111111 0.1586 68 H 6.4458 1.4970 -2.6477 H 1 UNL1111111111 0.1665 69 H 7.4735 0.0611 -2.7587 H 1 UNL1111111111 0.1443 70 H 5.7400 -0.1103 -2.4900 H 1 UNL1111111111 0.1385 @BOND 1 2 3 am 2 2 1 2 3 3 4 1 4 3 40 1 5 4 5 ar 6 5 6 ar 7 5 41 1 8 6 42 1 9 7 6 ar 10 7 8 1 11 8 9 1 12 9 43 1 13 9 44 1 14 10 8 2 15 10 45 1 16 11 7 ar 17 11 46 1 18 12 4 ar 19 12 11 ar 20 12 47 1 21 13 2 1 22 14 13 ar 23 15 14 ar 24 16 15 1 25 16 17 1 26 17 48 1 27 17 49 1 28 17 50 1 29 18 19 ar 30 18 15 ar 31 18 51 1 32 19 20 ar 33 19 52 1 34 20 21 1 35 20 13 ar 36 21 22 ar 37 22 23 ar 38 22 53 1 39 23 54 1 40 24 28 ar 41 24 21 ar 42 25 24 1 43 25 27 1 44 26 25 2 45 27 55 1 46 28 29 ar 47 28 56 1 48 29 30 1 49 29 23 ar 50 30 31 2 51 32 30 am 52 32 57 1 53 33 32 1 54 33 36 1 55 33 58 1 56 34 33 1 57 34 59 1 58 34 60 1 59 35 34 1 60 35 61 1 61 36 39 1 62 36 37 1 63 37 62 1 64 37 63 1 65 37 64 1 66 38 36 1 67 38 65 1 68 38 66 1 69 38 67 1 70 39 68 1 71 39 69 1 72 39 70 1