@MOLECULE 2-hydroxy-5-{[(2e)-1-(2-naphthyloxy)-4-oxo-2-buten-2-yl]amino}-l-tyrosine 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 N -6.4167 0.6062 -2.5776 N.3 1 UNL1111 -0.6419 2 CA -5.1821 0.4020 -1.8005 C.3 1 UNL1111 -0.0044 3 C -5.0294 1.3711 -0.6093 C.3 1 UNL1111 -0.3044 4 C -3.6750 1.4095 0.0168 C.ar 1 UNL1111 -0.1432 5 C -3.5122 2.2384 1.1490 C.ar 1 UNL1111 0.3259 6 O -4.6191 2.9296 1.5132 O.3 1 UNL1111 -0.4673 7 C -2.3157 2.3466 1.8495 C.ar 1 UNL1111 -0.3875 8 C -1.2363 1.5841 1.3988 C.ar 1 UNL1111 0.3114 9 O -0.0918 1.7027 2.1056 O.3 1 UNL1111 -0.4495 10 C -1.3530 0.7621 0.2623 C.ar 1 UNL1111 -0.0760 11 C -2.5738 0.6877 -0.4197 C.ar 1 UNL1111 -0.0504 12 N -0.2362 0.0050 -0.1974 N.pl3 1 UNL1111 -0.4753 13 C -0.0314 -1.2732 0.3001 C.2 1 UNL1111 0.2726 14 C -1.0288 -2.0504 0.7824 C.2 1 UNL1111 -0.4899 15 C -0.8875 -3.4149 1.2634 C.2 1 UNL1111 0.3719 16 O -1.8469 -4.1374 1.4265 O.2 1 UNL1111 -0.4630 17 C 1.4054 -1.7386 0.1717 C.3 1 UNL1111 -0.0818 18 O 2.1605 -0.6109 0.6275 O.3 1 UNL1111 -0.3931 19 C 3.4771 -0.5841 0.2437 C.ar 1 UNL1111 0.2334 20 C 4.3103 -1.7230 0.3718 C.ar 1 UNL1111 -0.2398 21 C 5.6441 -1.5943 0.0851 C.ar 1 UNL1111 -0.0963 22 C 6.1815 -0.3493 -0.3467 C.ar 1 UNL1111 -0.0541 23 C 7.5641 -0.2102 -0.6503 C.ar 1 UNL1111 -0.1332 24 C 5.3287 0.7710 -0.4756 C.ar 1 UNL1111 0.0448 25 C 3.9482 0.6390 -0.1689 C.ar 1 UNL1111 -0.2538 26 C 5.8726 2.0097 -0.9163 C.ar 1 UNL1111 -0.1687 27 C 7.2072 2.1148 -1.2106 C.ar 1 UNL1111 -0.1233 28 C 8.0643 0.9934 -1.0753 C.ar 1 UNL1111 -0.1578 29 C -5.2456 -1.0159 -1.2478 C.2 1 UNL1111 0.6341 30 O -4.0502 -1.6324 -1.3953 O.3 1 UNL1111 -0.5686 31 OXT -6.1812 -1.5553 -0.7237 O.2 1 UNL1111 -0.4957 32 H1 -6.5286 1.5620 -2.8723 H 1 UNL1111 0.2586 33 H2 -7.2422 0.3056 -2.0772 H 1 UNL1111 0.2691 34 HA -4.3193 0.5140 -2.5139 H 1 UNL1111 0.1808 35 H -5.3025 2.4003 -0.9385 H 1 UNL1111 0.1662 36 H -5.7863 1.1241 0.1736 H 1 UNL1111 0.1791 37 H -4.4789 3.4553 2.3409 H 1 UNL1111 0.3362 38 H -2.2049 2.9823 2.7216 H 1 UNL1111 0.1892 39 H 0.5949 1.0387 1.8213 H 1 UNL1111 0.3417 40 H -2.6300 0.0338 -1.2979 H 1 UNL1111 0.1943 41 H 0.5684 0.5424 -0.5036 H 1 UNL1111 0.3158 42 H -2.0539 -1.6686 0.8204 H 1 UNL1111 0.2033 43 H 0.1173 -3.7969 1.4958 H 1 UNL1111 0.0901 44 H 1.6636 -1.9920 -0.8737 H 1 UNL1111 0.1576 45 H 1.6356 -2.5963 0.8310 H 1 UNL1111 0.1543 46 H 3.8936 -2.6665 0.7129 H 1 UNL1111 0.1689 47 H 6.3185 -2.4453 0.1874 H 1 UNL1111 0.1573 48 H 8.2145 -1.0765 -0.5382 H 1 UNL1111 0.1538 49 H 3.2914 1.4995 -0.2529 H 1 UNL1111 0.1717 50 H 5.2088 2.8675 -1.0142 H 1 UNL1111 0.1592 51 H 7.6295 3.0599 -1.5503 H 1 UNL1111 0.1531 52 H 9.1199 1.1071 -1.3162 H 1 UNL1111 0.1541 53 H -3.9924 -2.5271 -0.9710 H 1 UNL1111 0.3704 @BOND 1 1 2 1 2 1 32 1 3 1 33 1 4 2 3 1 5 2 29 1 6 2 34 1 7 3 4 1 8 3 35 1 9 3 36 1 10 4 5 ar 11 4 11 ar 12 5 6 1 13 5 7 ar 14 6 37 1 15 7 8 ar 16 7 38 1 17 8 9 1 18 8 10 ar 19 9 39 1 20 10 11 ar 21 10 12 1 22 11 40 1 23 12 13 1 24 12 41 1 25 13 14 2 26 13 17 1 27 14 15 1 28 14 42 1 29 15 16 2 30 15 43 1 31 17 18 1 32 17 44 1 33 17 45 1 34 18 19 1 35 19 20 ar 36 19 25 ar 37 20 21 ar 38 20 46 1 39 21 22 ar 40 21 47 1 41 22 23 ar 42 22 24 ar 43 23 28 ar 44 23 48 1 45 24 25 ar 46 24 26 ar 47 25 49 1 48 26 27 ar 49 26 50 1 50 27 28 ar 51 27 51 1 52 28 52 1 53 29 30 1 54 29 31 2 55 30 53 1