Opt de Histidina adelante con b3lyp/6-311++g(d,p) Created by GaussView 3.07 42 45 0 0 0 0 0 0 0 0 0 0 -2.4486 -1.6844 1.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9693 -1.3359 0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3487 -0.4386 -1.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -0.4623 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2820 -1.7538 0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9752 -1.3111 -0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -0.0196 -1.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7634 -2.4241 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9952 -1.6342 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5915 0.6894 -1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8832 -0.0758 -2.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 0.0037 0.1965 B 0 0 0 0 0 0 0 0 0 0 0 0 -0.5174 1.5865 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 4.3854 0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4262 2.2436 1.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3933 2.3799 -0.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1901 3.7586 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2268 3.6207 1.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5074 1.6624 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4513 1.9258 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0973 4.3410 -1.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 4.0983 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 5.4573 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 -0.6832 1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1587 -0.6996 -0.9836 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3742 -0.8768 -1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9666 -0.1071 -1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6612 -1.9706 -0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0449 -2.7671 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5473 -1.7381 1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 -2.4606 1.9573 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -2.3744 -0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0461 -2.6587 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 -3.2616 -0.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0894 -1.2941 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -1.2735 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -2.0055 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9633 -0.0749 -1.2631 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9682 0.6648 -0.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 1.6830 -1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7461 -0.0205 0.0321 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5685 0.3303 0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 4 4 0 0 0 0 2 5 4 0 0 0 0 3 6 4 0 0 0 0 3 7 4 0 0 0 0 3 11 1 0 0 0 0 4 7 4 0 0 0 0 4 12 1 0 0 0 0 5 6 4 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 4 0 0 0 0 13 16 4 0 0 0 0 14 17 4 0 0 0 0 14 18 4 0 0 0 0 14 23 1 0 0 0 0 15 18 4 0 0 0 0 15 19 1 0 0 0 0 16 17 4 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 24 30 4 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 30 31 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 41 4 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 39 41 4 0 0 0 0 41 42 1 0 0 0 0