@MOLECULE 3-[[1-(carboxymethyl)-4-piperidyl]-[4-[4-[(E)-hydrazinylidenemethyl]phenyl]thiazol-2-yl]amino]propanoic acid 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.6921 -3.3305 -0.7308 S.2 1 UNL111111111 0.1102 2 O 0.1102 6.2537 0.7765 O.3 1 UNL111111111 -0.5947 3 O 1.5197 4.5334 0.8235 O.2 1 UNL111111111 -0.4530 4 O -5.7443 -1.4109 2.6409 O.3 1 UNL111111111 -0.5584 5 O -6.4655 -1.2315 0.5374 O.2 1 UNL111111111 -0.5105 6 N -0.5460 3.1925 -0.7868 N.3 1 UNL111111111 -0.3843 7 N -2.4857 -0.6411 -0.8562 N.pl3 1 UNL111111111 -0.4313 8 N -0.2017 -1.2073 -0.4186 N.ar 1 UNL111111111 -0.5102 9 N 6.6540 -0.2211 0.8230 N.2 1 UNL111111111 -0.1472 10 N 7.9852 0.0360 0.9050 N.pl3 1 UNL111111111 -0.4629 11 C -2.2204 0.8190 -0.8613 C.3 1 UNL111111111 0.1092 12 C -1.6172 1.3525 0.4513 C.3 1 UNL111111111 -0.3262 13 C -1.2619 1.1778 -2.0135 C.3 1 UNL111111111 -0.3112 14 C -1.0967 2.7041 -2.0772 C.3 1 UNL111111111 -0.1087 15 C -1.4521 2.8765 0.3456 C.3 1 UNL111111111 -0.1135 16 C -3.8557 -1.0307 -0.4987 C.3 1 UNL111111111 -0.0608 17 C -0.2841 4.6460 -0.8655 C.3 1 UNL111111111 -0.1945 18 C -1.4702 -1.5305 -0.6169 C.ar 1 UNL111111111 0.2950 19 C -4.0850 -1.1026 1.0230 C.3 1 UNL111111111 -0.3926 20 C 0.5701 5.0526 0.3129 C.2 1 UNL111111111 0.6273 21 C 0.6450 -2.3219 -0.3665 C.ar 1 UNL111111111 0.2034 22 C -5.5421 -1.2506 1.3081 C.2 1 UNL111111111 0.6512 23 C 0.0175 -3.5344 -0.4958 C.ar 1 UNL111111111 -0.4160 24 C 2.0697 -2.0708 -0.1704 C.ar 1 UNL111111111 -0.0316 25 C 2.9749 -3.1387 -0.1413 C.ar 1 UNL111111111 -0.1325 26 C 2.5429 -0.7621 -0.0122 C.ar 1 UNL111111111 -0.0961 27 C 4.3310 -2.9019 0.0489 C.ar 1 UNL111111111 -0.1763 28 C 3.8995 -0.5248 0.1790 C.ar 1 UNL111111111 -0.1390 29 C 4.8014 -1.5930 0.2141 C.ar 1 UNL111111111 0.0222 30 C 6.2391 -1.3845 0.4149 C.2 1 UNL111111111 -0.1201 31 H -3.2091 1.3212 -1.0456 H 1 UNL111111111 0.1325 32 H -0.6168 0.8873 0.6246 H 1 UNL111111111 0.2040 33 H -1.6287 0.7818 -2.9744 H 1 UNL111111111 0.1471 34 H -0.2665 0.7062 -1.8439 H 1 UNL111111111 0.1973 35 H -2.2327 1.0917 1.3252 H 1 UNL111111111 0.1352 36 H -2.0593 3.1875 -2.3459 H 1 UNL111111111 0.1093 37 H -0.3647 2.9539 -2.8785 H 1 UNL111111111 0.1452 38 H -0.9757 3.2537 1.2805 H 1 UNL111111111 0.1494 39 H -2.4422 3.3708 0.2594 H 1 UNL111111111 0.1108 40 H -4.5652 -0.2980 -0.9590 H 1 UNL111111111 0.1687 41 H -4.1160 -2.0039 -0.9793 H 1 UNL111111111 0.1679 42 H -1.2050 5.2724 -0.9145 H 1 UNL111111111 0.1545 43 H 0.3016 4.8601 -1.7945 H 1 UNL111111111 0.1764 44 H -3.6902 -0.1934 1.5311 H 1 UNL111111111 0.1937 45 H -3.5132 -1.9411 1.4813 H 1 UNL111111111 0.2004 46 H 0.4654 -4.5082 -0.4609 H 1 UNL111111111 0.1915 47 H 0.6285 6.6194 1.5309 H 1 UNL111111111 0.3564 48 H 2.6209 -4.1603 -0.2671 H 1 UNL111111111 0.1507 49 H 1.8400 0.0792 -0.0395 H 1 UNL111111111 0.1860 50 H -6.6953 -1.5155 2.8887 H 1 UNL111111111 0.3574 51 H 5.0250 -3.7389 0.0718 H 1 UNL111111111 0.1506 52 H 4.2627 0.4985 0.3046 H 1 UNL111111111 0.1794 53 H 6.8856 -2.2424 0.2022 H 1 UNL111111111 0.1465 54 H 8.6234 -0.7316 1.0585 H 1 UNL111111111 0.2507 55 H 8.1515 0.8304 1.5117 H 1 UNL111111111 0.2914 @BOND 1 1 18 ar 2 1 23 ar 3 2 20 1 4 2 47 1 5 3 20 2 6 4 22 1 7 4 50 1 8 5 22 2 9 6 14 1 10 6 15 1 11 6 17 1 12 7 11 1 13 7 16 1 14 7 18 1 15 8 18 ar 16 8 21 ar 17 9 10 1 18 9 30 2 19 10 54 1 20 10 55 1 21 11 12 1 22 11 13 1 23 11 31 1 24 12 15 1 25 12 32 1 26 12 35 1 27 13 14 1 28 13 33 1 29 13 34 1 30 14 36 1 31 14 37 1 32 15 38 1 33 15 39 1 34 16 19 1 35 16 40 1 36 16 41 1 37 17 20 1 38 17 42 1 39 17 43 1 40 19 22 1 41 19 44 1 42 19 45 1 43 21 23 ar 44 21 24 1 45 23 46 1 46 24 25 ar 47 24 26 ar 48 25 27 ar 49 25 48 1 50 26 28 ar 51 26 49 1 52 27 29 ar 53 27 51 1 54 28 29 ar 55 28 52 1 56 29 30 1 57 30 53 1