@MOLECULE d-gamma-glutamyl-(z)-n-(carboxymethylene)-s-[(2r)-2-hydroxy-4-phenylbutyl]-l-cysteinamide 58 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 6.0769 4.8093 0.5382 O.2 1 UNK111111111 -0.5101 2 C 6.1911 3.6447 0.2650 C.2 1 UNK111111111 0.5746 3 O 7.1590 2.8763 0.8156 O.3 1 UNK111111111 -0.5560 4 C 5.3472 2.8338 -0.7149 C.3 1 UNK111111111 -0.0013 5 N 4.5078 3.7073 -1.5424 N.3 1 UNK111111111 -0.6252 6 C 4.4789 1.8521 0.0944 C.3 1 UNK111111111 -0.2547 7 C 3.7230 0.9192 -0.8531 C.3 1 UNK111111111 -0.3436 8 C 3.0024 -0.1398 -0.0642 C.2 1 UNK111111111 0.6218 9 O 3.3918 -0.5931 0.9957 O.2 1 UNK111111111 -0.5773 10 N 1.8343 -0.6317 -0.6273 N.am 1 UNK111111111 -0.6078 11 C 1.1342 -1.7284 0.0326 C.3 1 UNK111111111 0.0314 12 C 1.7999 -3.0394 -0.4692 C.2 1 UNK111111111 0.5225 13 O 1.5863 -3.5135 -1.5528 O.2 1 UNK111111111 -0.4228 14 N 2.5561 -3.7156 0.5014 N.am 2 GLY222222222 -0.3988 15 CA 3.7856 -3.6612 0.7990 C.2 2 GLY222222222 0.0949 16 C 4.8036 -2.7875 0.1088 C.2 2 GLY222222222 0.5948 17 O 5.9792 -2.8641 0.7684 O.3 2 GLY222222222 -0.5307 18 OXT 4.6629 -2.1242 -0.8827 O.2 2 GLY222222222 -0.4876 19 C -0.3422 -1.7782 -0.3506 C.3 1 UNK111111111 -0.3708 20 S -1.1706 -0.2619 0.2803 S.3 1 UNK111111111 0.0350 21 C -2.9268 -0.7040 -0.0256 C.3 1 UNK111111111 -0.4039 22 C -3.8216 0.5018 0.2828 C.3 1 UNK111111111 0.1693 23 O -3.7546 0.8478 1.6453 O.3 1 UNK111111111 -0.5423 24 C -5.2769 0.1834 -0.1043 C.3 1 UNK111111111 -0.3278 25 C -6.1764 1.3918 0.1913 C.3 1 UNK111111111 -0.2825 26 C -7.6133 1.0042 0.0255 C.ar 1 UNK111111111 0.0186 27 C -8.2220 1.0860 -1.2288 C.ar 1 UNK111111111 -0.1816 28 C -9.5533 0.7073 -1.3841 C.ar 1 UNK111111111 -0.1354 29 C -10.2819 0.2452 -0.2894 C.ar 1 UNK111111111 -0.1658 30 C -9.6762 0.1648 0.9634 C.ar 1 UNK111111111 -0.1341 31 C -8.3453 0.5437 1.1221 C.ar 1 UNK111111111 -0.1810 32 H 7.7261 3.3522 1.4729 H 1 UNK111111111 0.3584 33 H 6.0354 2.2568 -1.3949 H 1 UNK111111111 0.1785 34 H 3.8614 4.2549 -0.9924 H 1 UNK111111111 0.2647 35 H 5.0532 4.3316 -2.1169 H 1 UNK111111111 0.2603 36 H 5.1183 1.2584 0.7854 H 1 UNK111111111 0.1772 37 H 3.7645 2.3961 0.7441 H 1 UNK111111111 0.1586 38 H 3.0430 1.5103 -1.5037 H 1 UNK111111111 0.1849 39 H 4.4297 0.4086 -1.5493 H 1 UNK111111111 0.1880 40 H 1.5088 -0.3487 -1.5381 H 1 UNK111111111 0.3255 41 H 1.2644 -1.6380 1.1532 H 1 UNK111111111 0.2018 42 HA 4.1776 -4.2734 1.6342 H 2 GLY222222222 0.2064 43 H 6.6676 -2.2355 0.4262 H 2 GLY222222222 0.3633 44 H -0.4695 -1.8628 -1.4478 H 1 UNK111111111 0.1757 45 H -0.8148 -2.6812 0.0815 H 1 UNK111111111 0.1723 46 H -3.0559 -1.0158 -1.0773 H 1 UNK111111111 0.1639 47 H -3.2100 -1.5675 0.6012 H 1 UNK111111111 0.1601 48 H -3.4687 1.4397 -0.2109 H 1 UNK111111111 0.1548 49 H -4.0300 0.1076 2.2205 H 1 UNK111111111 0.3137 50 H -5.3441 -0.0855 -1.1740 H 1 UNK111111111 0.1506 51 H -5.6403 -0.7004 0.4529 H 1 UNK111111111 0.1493 52 H -5.9784 1.7657 1.2201 H 1 UNK111111111 0.1692 53 H -5.9129 2.2394 -0.4723 H 1 UNK111111111 0.1513 54 H -7.6565 1.4458 -2.0851 H 1 UNK111111111 0.1510 55 H -10.0256 0.7731 -2.3622 H 1 UNK111111111 0.1477 56 H -11.3211 -0.0504 -0.4122 H 1 UNK111111111 0.1499 57 H -10.2443 -0.1935 1.8198 H 1 UNK111111111 0.1485 58 H -7.8763 0.4821 2.1017 H 1 UNK111111111 0.1525 @BOND 1 1 2 2 2 2 3 1 3 3 32 1 4 4 6 1 5 4 2 1 6 4 33 1 7 5 4 1 8 5 34 1 9 5 35 1 10 6 7 1 11 6 36 1 12 6 37 1 13 7 8 1 14 7 38 1 15 7 39 1 16 8 9 2 17 8 10 am 18 10 11 1 19 10 40 1 20 11 12 1 21 11 19 1 22 11 41 1 23 12 14 1 24 13 12 2 25 14 15 2 26 15 42 1 27 16 15 1 28 16 17 1 29 17 43 1 30 18 16 2 31 19 20 1 32 19 44 1 33 19 45 1 34 20 21 1 35 21 22 1 36 21 46 1 37 21 47 1 38 22 24 1 39 22 48 1 40 23 22 1 41 23 49 1 42 24 50 1 43 24 51 1 44 25 26 1 45 25 24 1 46 25 52 1 47 25 53 1 48 26 31 ar 49 27 28 ar 50 27 26 ar 51 27 54 1 52 28 29 ar 53 28 55 1 54 29 30 ar 55 29 56 1 56 30 57 1 57 31 30 ar 58 31 58 1