@MOLECULE n-[(benzyloxy)carbonyl]-l-alpha-glutamyl-l-tyrosine 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2328 1.5023 -1.1209 O.2 1 UNL1111111111 -0.5197 2 O 3.8275 0.1224 0.4386 O.3 1 UNL1111111111 -0.4099 3 O -1.6422 4.1468 0.7298 O.3 1 UNL1111111111 -0.5462 4 OXT -3.1268 4.7125 -0.8431 O.2 1 UNL1111111111 -0.4955 5 OE1 -1.3467 -3.8605 -0.7795 O.3 1 UNL1111111111 -0.5615 6 O 2.6809 0.3141 2.4122 O.2 1 UNL1111111111 -0.5675 7 OE2 -1.7912 -3.4401 1.3652 O.2 1 UNL1111111111 -0.5261 8 OH -5.4527 -3.3759 -0.8001 O.3 1 UNL1111111111 -0.4724 9 N -1.8323 1.5932 0.4749 N.am 1 UNL1111111111 -0.5775 10 N 1.5943 0.2209 0.3863 N.am 1 UNL1111111111 -0.5865 11 CA 0.2723 0.4076 0.9849 C.3 1 UNL1111111111 0.0226 12 CA -2.7398 2.3470 -0.3802 C.3 1 UNL1111111111 0.0421 13 CB -0.4138 -0.9479 1.2712 C.3 1 UNL1111111111 -0.2779 14 CB -4.2161 2.0438 -0.0346 C.3 1 UNL1111111111 -0.3018 15 C -0.5858 1.2309 0.0066 C.2 1 UNL1111111111 0.5539 16 CG -0.5790 -1.8039 0.0163 C.3 1 UNL1111111111 -0.3426 17 CG -4.5311 0.5921 -0.2118 C.ar 1 UNL1111111111 -0.0651 18 C -2.5485 3.8561 -0.2307 C.2 1 UNL1111111111 0.5911 19 CD1 -4.3525 -0.3008 0.8478 C.ar 1 UNL1111111111 -0.0909 20 CD2 -5.0120 0.1330 -1.4434 C.ar 1 UNL1111111111 -0.0982 21 C 2.7013 0.2384 1.2018 C.2 0 ACE0 0.7170 22 CD -1.2945 -3.0785 0.3304 C.2 1 UNL1 0.6552 23 CE1 -4.6407 -1.6533 0.6836 C.ar 1 UNL1 -0.3000 24 CE2 -5.3205 -1.2066 -1.6277 C.ar 1 UNL1 -0.2346 25 CZ -5.1272 -2.0809 -0.5517 C.ar 1 UNL1 0.2842 26 C 5.0509 0.0234 1.1931 C.3 1 UNL1 -0.0175 27 C 6.0985 -0.1404 0.1330 C.ar 1 UNL1 -0.0421 28 C 6.4774 -1.4172 -0.2862 C.ar 1 UNL1 -0.1321 29 C 6.6937 0.9862 -0.4378 C.ar 1 UNL1 -0.1291 30 C 7.4918 -1.5680 -1.2302 C.ar 1 UNL1 -0.1554 31 C 7.7037 0.8348 -1.3861 C.ar 1 UNL1 -0.1541 32 C 8.1123 -0.4422 -1.7703 C.ar 1 UNL1 -0.1361 33 HA 0.3819 0.9754 1.9614 H 1 UNL1 0.1854 34 HA -2.5294 2.0929 -1.4651 H 1 UNL1 0.2048 35 HB1 -1.4022 -0.7793 1.7460 H 1 UNL1 0.1582 36 HB2 0.1750 -1.5025 2.0348 H 1 UNL1 0.1789 37 HB1 -4.8716 2.6710 -0.6845 H 1 UNL1 0.1787 38 HB2 -4.4488 2.3752 0.9988 H 1 UNL1 0.1588 39 H -2.0969 1.4816 1.4395 H 1 UNL1 0.3182 40 HG1 0.4131 -2.0338 -0.4381 H 1 UNL1 0.1967 41 HG2 -1.1407 -1.2541 -0.7747 H 1 UNL1 0.1935 42 H 1.6661 0.2630 -0.6224 H 1 UNL1 0.3480 43 HD1 -3.9924 0.0543 1.8123 H 1 UNL1 0.1460 44 HD2 -5.1533 0.8362 -2.2650 H 1 UNL1 0.1578 45 HE1 -4.4859 -2.3554 1.4998 H 1 UNL1 0.1724 46 HE2 -5.7057 -1.5847 -2.5715 H 1 UNL1 0.1776 47 H 4.9765 -0.8406 1.8820 H 1 UNL1 0.1463 48 H 5.1705 0.9444 1.7926 H 1 UNL1 0.1474 49 H -1.4335 5.1115 0.8081 H 1 UNL1 0.3579 50 HE1 -1.8274 -4.7119 -0.6547 H 1 UNL1 0.3549 51 H 5.9868 -2.3022 0.1234 H 1 UNL1 0.1546 52 H 6.3651 1.9830 -0.1460 H 1 UNL1 0.1563 53 HH -5.3003 -3.9586 -0.0176 H 1 UNL1 0.3302 54 H 7.8036 -2.5635 -1.5419 H 1 UNL1 0.1507 55 H 8.1741 1.7114 -1.8292 H 1 UNL1 0.1514 56 H 8.9168 -0.5591 -2.4944 H 1 UNL1 0.1495 @BOND 1 1 15 2 2 2 21 1 3 2 26 1 4 3 18 1 5 3 49 1 6 4 18 2 7 5 22 1 8 5 50 1 9 6 21 2 10 7 22 2 11 8 25 1 12 8 53 1 13 9 12 1 14 9 15 am 15 9 39 1 16 10 11 1 17 10 21 am 18 10 42 1 19 11 13 1 20 11 15 1 21 11 33 1 22 12 14 1 23 12 18 1 24 12 34 1 25 13 16 1 26 13 35 1 27 13 36 1 28 14 17 1 29 14 37 1 30 14 38 1 31 16 22 1 32 16 40 1 33 16 41 1 34 17 19 ar 35 17 20 ar 36 19 23 ar 37 19 43 1 38 20 24 ar 39 20 44 1 40 23 25 ar 41 23 45 1 42 24 25 ar 43 24 46 1 44 26 27 1 45 26 47 1 46 26 48 1 47 27 28 ar 48 27 29 ar 49 28 30 ar 50 28 51 1 51 29 31 ar 52 29 52 1 53 30 32 ar 54 30 54 1 55 31 32 ar 56 31 55 1 57 32 56 1