@MOLECULE (2r)-2-amino-n-{(2s)-1-[(4-carbamimidoylbenzyl)amino]-1-oxo-2-propanyl}-4-(4-hydroxyphenyl)butanamide 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.8563 0.1250 1.0184 C.ar 1 UNL111111111 -0.0221 2 C -3.5440 0.5498 1.6228 C.3 1 UNL111111111 -0.0815 3 N -2.5711 0.8049 0.5508 N.am 1 UNL111111111 -0.5862 4 C -1.2936 0.3148 0.6503 C.2 1 UNL111111111 0.5483 5 C -0.3650 0.5734 -0.5519 C.3 1 UNL111111111 0.0314 6 N 0.9543 0.8813 0.0000 N.am 1 UNL111111111 -0.5959 7 C 1.7034 1.9126 -0.5154 C.2 1 UNL111111111 0.5217 8 C 3.0717 2.1792 0.1407 C.3 1 UNL111111111 -0.0210 9 C 4.0181 1.0032 -0.1630 C.3 1 UNL111111111 -0.2711 10 C 5.3291 1.1603 0.6220 C.3 1 UNL111111111 -0.2651 11 N 3.6461 3.4373 -0.3594 N.3 1 UNL111111111 -0.6137 12 O 1.2922 2.5948 -1.4339 O.2 1 UNL111111111 -0.5554 13 C -0.3305 -0.7053 -1.3947 C.3 1 UNL111111111 -0.4660 14 O -0.9081 -0.2848 1.6348 O.2 1 UNL111111111 -0.5447 15 C -5.7675 1.0946 0.5971 C.ar 1 UNL111111111 -0.1720 16 C -6.9786 0.7110 0.0274 C.ar 1 UNL111111111 -0.1026 17 C -7.2694 -0.6449 -0.1294 C.ar 1 UNL111111111 -0.0529 18 C -8.5571 -1.0482 -0.7534 C.2 1 UNL111111111 0.4154 19 N -8.4337 -1.9941 -1.7865 N.pl3 1 UNL111111111 -0.7092 20 N -9.6689 -0.5721 -0.3161 N.2 1 UNL111111111 -0.6170 21 C -6.3667 -1.6168 0.3058 C.ar 1 UNL111111111 -0.1315 22 C -5.1575 -1.2299 0.8768 C.ar 1 UNL111111111 -0.1553 23 C 6.2433 0.0112 0.3355 C.ar 1 UNL111111111 -0.0594 24 C 6.1456 -1.1628 1.0921 C.ar 1 UNL111111111 -0.1083 25 C 6.9926 -2.2347 0.8456 C.ar 1 UNL111111111 -0.2417 26 C 7.9409 -2.1084 -0.1756 C.ar 1 UNL111111111 0.2787 27 O 8.7431 -3.1917 -0.3561 O.3 1 UNL111111111 -0.4751 28 C 8.0546 -0.9542 -0.9504 C.ar 1 UNL111111111 -0.3035 29 C 7.1925 0.1070 -0.6830 C.ar 1 UNL111111111 -0.0979 30 H -3.6612 1.4749 2.2375 H 1 UNL111111111 0.1518 31 H -3.1436 -0.2272 2.3230 H 1 UNL111111111 0.1801 32 H -2.9155 1.2686 -0.2729 H 1 UNL111111111 0.3167 33 H -0.7161 1.4408 -1.1773 H 1 UNL111111111 0.1812 34 H 1.2578 0.3043 0.7744 H 1 UNL111111111 0.3334 35 H 2.9356 2.2862 1.2503 H 1 UNL111111111 0.1645 36 H 3.5394 0.0398 0.0939 H 1 UNL111111111 0.1458 37 H 4.2338 0.9507 -1.2483 H 1 UNL111111111 0.1538 38 H 5.8048 2.1310 0.3574 H 1 UNL111111111 0.1711 39 H 5.1213 1.2396 1.7077 H 1 UNL111111111 0.1486 40 H 3.8303 3.3926 -1.3525 H 1 UNL111111111 0.2591 41 H 3.0263 4.2189 -0.1959 H 1 UNL111111111 0.2582 42 H -1.3178 -0.9460 -1.8035 H 1 UNL111111111 0.1548 43 H 0.3618 -0.5956 -2.2408 H 1 UNL111111111 0.1698 44 H 0.0062 -1.5698 -0.8062 H 1 UNL111111111 0.1665 45 H -5.5407 2.1523 0.7225 H 1 UNL111111111 0.1588 46 H -7.7091 1.4615 -0.2809 H 1 UNL111111111 0.1720 47 H -7.5399 -2.1703 -2.1931 H 1 UNL111111111 0.3000 48 H -9.2162 -2.1954 -2.3710 H 1 UNL111111111 0.2961 49 H -10.5523 -0.8356 -0.7097 H 1 UNL111111111 0.2748 50 H -6.6138 -2.6748 0.2110 H 1 UNL111111111 0.1647 51 H -4.4494 -1.9868 1.2136 H 1 UNL111111111 0.1634 52 H 5.4003 -1.2358 1.8836 H 1 UNL111111111 0.1541 53 H 6.9392 -3.1544 1.4214 H 1 UNL111111111 0.1742 54 H 9.3956 -3.0548 -1.0832 H 1 UNL111111111 0.3259 55 H 8.7941 -0.8806 -1.7392 H 1 UNL111111111 0.1595 56 H 7.2623 1.0195 -1.2750 H 1 UNL111111111 0.1546 @BOND 1 1 22 ar 2 2 3 1 3 2 1 1 4 2 30 1 5 2 31 1 6 3 4 am 7 3 32 1 8 4 14 2 9 4 5 1 10 5 6 1 11 5 33 1 12 6 7 am 13 6 34 1 14 7 12 2 15 7 8 1 16 8 9 1 17 8 11 1 18 8 35 1 19 9 36 1 20 9 37 1 21 10 9 1 22 10 23 1 23 10 38 1 24 10 39 1 25 11 40 1 26 11 41 1 27 13 5 1 28 13 42 1 29 13 43 1 30 13 44 1 31 15 1 ar 32 15 16 ar 33 15 45 1 34 16 17 ar 35 16 46 1 36 17 21 ar 37 17 18 1 38 18 19 1 39 19 47 1 40 19 48 1 41 20 18 2 42 20 49 1 43 21 50 1 44 22 21 ar 45 22 51 1 46 23 29 ar 47 23 24 ar 48 24 25 ar 49 24 52 1 50 25 26 ar 51 25 53 1 52 26 27 1 53 27 54 1 54 28 26 ar 55 28 55 1 56 29 28 ar 57 29 56 1