@MOLECULE n-(butoxycarbonyl)-3-({[(5r)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl}amino)-l-alanine 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4203 -4.3035 -1.3341 O.2 1 UNL1111111111 -0.1301 2 O 3.6997 -2.2511 0.5088 O.2 1 UNL1111111111 -0.5241 3 O 0.5262 2.5398 -0.7915 O.3 1 UNL1111111111 -0.4277 4 O 5.1643 1.6849 2.2516 O.3 1 UNL1111111111 -0.5324 5 OXT 4.9530 3.2477 0.6613 O.2 1 UNL1111111111 -0.4914 6 O 0.8630 0.6145 0.3832 O.2 1 UNL1111111111 -0.5782 7 N -0.8103 -3.7472 -1.1635 N.2 1 UNL1111111111 -0.1655 8 N 3.4652 -0.6530 -1.0715 N.am 1 UNL1111111111 -0.5878 9 N 2.6069 2.0155 -0.1764 N.am 1 UNL1111111111 -0.6024 10 N -5.1395 1.2352 2.4806 N.pl3 1 UNL1111111111 -0.7141 11 N -6.3184 0.3729 0.6206 N.2 1 UNL1111111111 -0.6423 12 C 1.3848 -3.6479 -0.4472 C.3 1 UNL1111111111 0.0399 13 C 0.5176 -2.8644 0.5502 C.3 1 UNL1111111111 -0.3392 14 C 2.2346 -2.7450 -1.3401 C.3 1 UNL1111111111 -0.4082 15 C -0.8291 -2.9270 -0.1486 C.2 1 UNL1111111111 0.0574 16 C 3.1616 -1.8881 -0.5152 C.2 1 UNL1111111111 0.5993 17 C -1.9559 -2.0996 0.2448 C.ar 1 UNL1111111111 0.0043 18 C 4.3633 0.2405 -0.3578 C.3 1 UNL1111111111 -0.0857 19 CA 3.5858 1.2296 0.5645 C.3 1 UNL1111111111 -0.0065 20 C -3.1260 -2.0736 -0.5208 C.ar 1 UNL1111111111 -0.1421 21 C -1.8534 -1.2875 1.3789 C.ar 1 UNL1111111111 -0.1357 22 C -4.1837 -1.2512 -0.1477 C.ar 1 UNL1111111111 -0.0978 23 C -2.9129 -0.4663 1.7483 C.ar 1 UNL1111111111 -0.1459 24 C -4.0906 -0.4464 0.9933 C.ar 1 UNL1111111111 -0.0476 25 C 4.6156 2.1935 1.1300 C.2 1 UNL1111111111 0.5955 26 C -1.4674 3.3911 -1.6028 C.3 1 UNL1111111111 -0.3014 27 C -0.8741 2.1984 -0.8655 C.3 1 UNL1111111111 0.0029 28 C 1.2862 1.6272 -0.1350 C.2 1 UNL1111111111 0.7278 29 C -2.9763 3.1931 -1.7780 C.3 1 UNL1111111111 -0.2437 30 C -5.2596 0.4022 1.3588 C.2 1 UNL1111111111 0.4258 31 C -3.5882 4.3933 -2.4976 C.3 1 UNL1111111111 -0.4363 32 H 1.9682 -4.4669 0.0111 H 1 UNL1111111111 0.1622 33 H 0.4862 -3.3450 1.5447 H 1 UNL1111111111 0.1740 34 H 0.8643 -1.8252 0.7141 H 1 UNL1111111111 0.1964 35 H 1.5688 -2.1435 -1.9942 H 1 UNL1111111111 0.1802 36 H 2.8465 -3.3603 -2.0384 H 1 UNL1111111111 0.1863 37 H 4.9778 0.8004 -1.0986 H 1 UNL1111111111 0.1533 38 H 5.0672 -0.3582 0.2801 H 1 UNL1111111111 0.1891 39 HA 3.0787 0.6396 1.3860 H 1 UNL1111111111 0.2159 40 H 2.8931 -0.2396 -1.7914 H 1 UNL1111111111 0.3151 41 H -3.2071 -2.7047 -1.4077 H 1 UNL1111111111 0.1752 42 H -0.9390 -1.2773 1.9733 H 1 UNL1111111111 0.1667 43 H 2.9036 2.8850 -0.6034 H 1 UNL1111111111 0.3460 44 H -5.0996 -1.2234 -0.7497 H 1 UNL1111111111 0.1900 45 H -2.7965 0.1598 2.6324 H 1 UNL1111111111 0.1477 46 H -0.9734 3.5159 -2.5869 H 1 UNL1111111111 0.1539 47 H -1.2593 4.3256 -1.0462 H 1 UNL1111111111 0.1550 48 H -0.9768 1.2474 -1.4168 H 1 UNL1111111111 0.1377 49 H -1.2656 2.0759 0.1598 H 1 UNL1111111111 0.1421 50 H -3.1770 2.2630 -2.3438 H 1 UNL1111111111 0.1413 51 H -3.4635 3.0536 -0.7925 H 1 UNL1111111111 0.1422 52 H -3.4509 5.3182 -1.9240 H 1 UNL1111111111 0.1428 53 H -4.6648 4.2566 -2.6492 H 1 UNL1111111111 0.1447 54 H -3.1348 4.5472 -3.4837 H 1 UNL1111111111 0.1424 55 H 5.8726 2.2551 2.6498 H 1 UNL1111111111 0.3612 56 H -5.9411 1.7119 2.8364 H 1 UNL1111111111 0.2982 57 H -4.3782 1.1421 3.1150 H 1 UNL1111111111 0.3002 58 H -7.1277 0.9221 0.8319 H 1 UNL1111111111 0.2730 @BOND 1 1 7 1 2 1 12 1 3 2 16 2 4 3 27 1 5 3 28 1 6 4 25 1 7 4 55 1 8 5 25 2 9 6 28 2 10 7 15 2 11 8 16 am 12 8 18 1 13 8 40 1 14 9 19 1 15 9 28 am 16 9 43 1 17 10 30 1 18 10 56 1 19 10 57 1 20 11 30 2 21 11 58 1 22 12 13 1 23 12 14 1 24 12 32 1 25 13 15 1 26 13 33 1 27 13 34 1 28 14 16 1 29 14 35 1 30 14 36 1 31 15 17 1 32 17 20 ar 33 17 21 ar 34 18 19 1 35 18 37 1 36 18 38 1 37 19 25 1 38 19 39 1 39 20 22 ar 40 20 41 1 41 21 23 ar 42 21 42 1 43 22 24 ar 44 22 44 1 45 23 24 ar 46 23 45 1 47 24 30 1 48 26 27 1 49 26 29 1 50 26 46 1 51 26 47 1 52 27 48 1 53 27 49 1 54 29 31 1 55 29 50 1 56 29 51 1 57 31 52 1 58 31 53 1 59 31 54 1