@MOLECULE n-[(benzyloxy)carbonyl]-l-alpha-glutamyl-l-tyrosine 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3283 0.1641 -1.7565 O.2 1 UNL1111111111 -0.5074 2 O 2.6091 0.4263 0.0137 O.3 1 UNL1111111111 -0.4066 3 O -5.2072 0.7762 -0.3492 O.3 1 UNL1111111111 -0.5560 4 OXT -5.9563 -1.0000 -1.4676 O.2 1 UNL1111111111 -0.4939 5 OE1 -0.6268 6.2217 1.2517 O.3 1 UNL1111111111 -0.5750 6 O 0.9979 -0.2786 1.4640 O.2 1 UNL1111111111 -0.5687 7 OE2 -2.0343 5.6422 -0.3828 O.2 1 UNL1111111111 -0.5012 8 OH 1.1510 -4.8079 0.9729 O.3 1 UNL1111111111 -0.4765 9 N -2.7895 0.0011 -0.0285 N.am 1 UNL1111111111 -0.5828 10 N 0.5837 1.3681 -0.1181 N.am 1 UNL1111111111 -0.5729 11 CA -0.8337 1.4836 0.2133 C.3 1 UNL1111111111 0.0198 12 CA -3.6338 -0.9850 -0.6869 C.3 1 UNL1111111111 0.0414 13 CB -1.3473 2.8929 -0.1373 C.3 1 UNL1111111111 -0.2793 14 CB -3.7882 -2.2594 0.1797 C.3 1 UNL1111111111 -0.3020 15 C -1.6525 0.4867 -0.6368 C.2 1 UNL1111111111 0.5427 16 CG -0.6969 3.9462 0.7552 C.3 1 UNL1111111111 -0.3387 17 CG -2.4661 -2.9202 0.4026 C.ar 1 UNL1111111111 -0.0688 18 C -5.0464 -0.4467 -0.9109 C.2 1 UNL1111111111 0.5939 19 CD1 -1.6988 -2.5781 1.5176 C.ar 1 UNL1111111111 -0.0828 20 CD2 -1.9945 -3.8749 -0.5039 C.ar 1 UNL1111111111 -0.0960 21 C 1.3474 0.4176 0.5354 C.2 0 ACE0 0.7187 22 CD -1.2209 5.3103 0.4354 C.2 1 UNL1 0.6463 23 CE1 -0.4646 -3.1811 1.7403 C.ar 1 UNL1 -0.2826 24 CE2 -0.7724 -4.5000 -0.2979 C.ar 1 UNL1 -0.2390 25 CZ -0.0267 -4.1439 0.8311 C.ar 1 UNL1 0.2837 26 C 3.5283 -0.4707 0.6681 C.3 1 UNL1 -0.0163 27 C 4.8320 -0.2257 -0.0282 C.ar 1 UNL1 -0.0446 28 C 5.1601 -0.9753 -1.1587 C.ar 1 UNL1 -0.1275 29 C 5.7209 0.7358 0.4558 C.ar 1 UNL1 -0.1347 30 C 6.3942 -0.7916 -1.7780 C.ar 1 UNL1 -0.1542 31 C 6.9588 0.9114 -0.1612 C.ar 1 UNL1 -0.1557 32 C 7.2983 0.1436 -1.2748 C.ar 1 UNL1 -0.1357 33 HA -0.9650 1.2689 1.3120 H 1 UNL1 0.1770 34 HA -3.1907 -1.2547 -1.6959 H 1 UNL1 0.2111 35 HB1 -2.4548 2.9266 -0.0381 H 1 UNL1 0.1733 36 HB2 -1.1588 3.1261 -1.2087 H 1 UNL1 0.1771 37 HB1 -4.4977 -2.9542 -0.3226 H 1 UNL1 0.1753 38 HB2 -4.2716 -2.0122 1.1474 H 1 UNL1 0.1558 39 H -3.0685 0.2890 0.8956 H 1 UNL1 0.3193 40 HG1 0.4127 3.9324 0.6332 H 1 UNL1 0.1978 41 HG2 -0.8611 3.7275 1.8328 H 1 UNL1 0.1831 42 H 0.8761 1.7113 -1.0295 H 1 UNL1 0.3361 43 HD1 -2.0559 -1.8263 2.2185 H 1 UNL1 0.1461 44 HD2 -2.5829 -4.1281 -1.3850 H 1 UNL1 0.1558 45 HE1 0.1466 -2.8818 2.5874 H 1 UNL1 0.1683 46 HE2 -0.3886 -5.2451 -0.9892 H 1 UNL1 0.1747 47 H 3.1536 -1.5044 0.5390 H 1 UNL1 0.1484 48 H 3.5581 -0.2318 1.7470 H 1 UNL1 0.1443 49 H -6.0953 1.1789 -0.5197 H 1 UNL1 0.3582 50 HE1 -0.9002 7.1562 1.0910 H 1 UNL1 0.3578 51 H 4.4500 -1.6991 -1.5593 H 1 UNL1 0.1605 52 H 5.4522 1.3450 1.3174 H 1 UNL1 0.1528 53 HH 1.6550 -4.5123 1.7666 H 1 UNL1 0.3273 54 H 6.6508 -1.3791 -2.6574 H 1 UNL1 0.1521 55 H 7.6619 1.6435 0.2316 H 1 UNL1 0.1502 56 H 8.2685 0.2733 -1.7515 H 1 UNL1 0.1499 @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