@MOLECULE (2r)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3r)-tetrahydro-3-furanyloxy]phenyl}acetic acid 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 F 1.2515 -1.9690 -0.5559 F 1 UNL1111 -0.1251 2 C 1.5009 -0.6832 -0.3751 C.ar 1 UNL1111 -0.0155 3 C 2.8340 -0.2952 -0.1551 C.ar 1 UNL1111 0.2623 4 O 3.6912 -1.3366 -0.1253 O.3 1 UNL1111 -0.3161 5 C 5.0854 -1.0665 0.0483 C.3 1 UNL1111 0.0778 6 C 5.7317 -2.4466 -0.1634 C.3 1 UNL1111 -0.3347 7 C 6.2534 -2.8341 1.2254 C.3 1 UNL1111 -0.0342 8 O 6.3513 -1.6349 1.9886 O.3 1 UNL1111 -0.3873 9 C 5.3947 -0.7003 1.5109 C.3 1 UNL1111 -0.0897 10 C 3.1537 1.0518 0.0103 C.ar 1 UNL1111 -0.4245 11 C 2.1085 1.9780 -0.0375 C.ar 1 UNL1111 0.3104 12 O 2.2490 3.3152 0.0923 O.3 1 UNL1111 -0.3268 13 C 3.5766 3.8392 0.2398 C.3 1 UNL1111 -0.0196 14 C 3.3564 5.3442 0.2251 C.3 1 UNL1111 -0.4635 15 C 0.7696 1.5933 -0.2308 C.ar 1 UNL1111 -0.2818 16 C 0.4636 0.2508 -0.4111 C.ar 1 UNL1111 0.0343 17 CA -0.9422 -0.2515 -0.6511 C.3 1 UNL1111 0.0102 18 C -1.0140 -0.7028 -2.1169 C.2 1 UNL1111 0.5902 19 O -1.2846 -0.0272 -3.0711 O.2 1 UNL1111 -0.4912 20 OXT -0.7422 -2.0204 -2.2058 O.3 1 UNL1111 -0.5298 21 N -1.9521 0.7742 -0.4146 N.pl3 1 UNL1111 -0.5152 22 C -3.2575 0.3996 -0.0629 C.ar 1 UNL1111 0.2632 23 C -4.2763 1.3613 -0.2301 C.ar 1 UNL1111 -0.2868 24 C -5.5700 1.0741 0.1767 C.ar 1 UNL1111 -0.0255 25 C -5.8735 -0.1741 0.7291 C.ar 1 UNL1111 -0.1453 26 C -7.2657 -0.4762 1.1333 C.2 1 UNL1111 0.4317 27 N -7.7544 -1.7132 0.6669 N.pl3 1 UNL1111 -0.7137 28 N -7.9242 0.3330 1.8869 N.2 1 UNL1111 -0.6281 29 C -4.8633 -1.1177 0.9171 C.ar 1 UNL1111 -0.0513 30 C -3.5605 -0.8418 0.5220 C.ar 1 UNL1111 -0.2891 31 H 5.4077 -0.3113 -0.6903 H 1 UNL1111 0.1352 32 H 6.5369 -2.4001 -0.9132 H 1 UNL1111 0.1551 33 H 4.9904 -3.1754 -0.5464 H 1 UNL1111 0.1764 34 H 7.2769 -3.2399 1.2259 H 1 UNL1111 0.1381 35 H 5.5733 -3.5196 1.7590 H 1 UNL1111 0.1306 36 H 4.4961 -0.7661 2.1509 H 1 UNL1111 0.1487 37 H 5.8819 0.2781 1.6396 H 1 UNL1111 0.1401 38 H 4.1751 1.3646 0.1732 H 1 UNL1111 0.1741 39 H 4.2026 3.5011 -0.6043 H 1 UNL1111 0.1281 40 H 3.9933 3.4832 1.1983 H 1 UNL1111 0.1292 41 H 2.6835 5.6582 1.0350 H 1 UNL1111 0.1641 42 H 2.8926 5.6706 -0.7159 H 1 UNL1111 0.1636 43 H 4.3011 5.8859 0.3420 H 1 UNL1111 0.1550 44 H 0.0010 2.3639 -0.2220 H 1 UNL1111 0.1891 45 HA -1.1309 -1.1362 0.0322 H 1 UNL1111 0.2070 46 HXT -0.7359 -2.3686 -3.1340 H 1 UNL1111 0.3559 47 H -1.8684 1.5806 -1.0337 H 1 UNL1111 0.3105 48 H -4.0481 2.3297 -0.6673 H 1 UNL1111 0.1641 49 H -6.3601 1.8224 0.0740 H 1 UNL1111 0.1669 50 H -8.7269 -1.9191 0.7417 H 1 UNL1111 0.2913 51 H -7.2777 -2.1798 -0.0758 H 1 UNL1111 0.2988 52 H -8.8648 0.1424 2.1742 H 1 UNL1111 0.2703 53 H -5.0951 -2.0767 1.3849 H 1 UNL1111 0.1581 54 H -2.7885 -1.5895 0.6845 H 1 UNL1111 0.1648 @BOND 1 1 2 1 2 2 3 ar 3 2 16 ar 4 3 4 1 5 3 10 ar 6 4 5 1 7 5 6 1 8 5 9 1 9 5 31 1 10 6 7 1 11 6 32 1 12 6 33 1 13 7 8 1 14 7 34 1 15 7 35 1 16 8 9 1 17 9 36 1 18 9 37 1 19 10 11 ar 20 10 38 1 21 11 12 1 22 11 15 ar 23 12 13 1 24 13 14 1 25 13 39 1 26 13 40 1 27 14 41 1 28 14 42 1 29 14 43 1 30 15 16 ar 31 15 44 1 32 16 17 1 33 17 18 1 34 17 21 1 35 17 45 1 36 18 19 2 37 18 20 1 38 20 46 1 39 21 22 1 40 21 47 1 41 22 23 ar 42 22 30 ar 43 23 24 ar 44 23 48 1 45 24 25 ar 46 24 49 1 47 25 26 1 48 25 29 ar 49 26 27 1 50 26 28 2 51 27 50 1 52 27 51 1 53 28 52 1 54 29 30 ar 55 29 53 1 56 30 54 1