@MOLECULE l-gamma-glutamyl-s-benzyl-n-[(r)-carboxy(phenyl)methyl]-l-cysteinamide 60 61 0 0 0 SMALL GASTEIGER @ATOM 1 N 5.5237 3.2681 -0.7801 N.3 1 UNK1111111111 -0.6394 2 C 4.2869 3.8763 -0.2632 C.3 1 UNK1111111111 -0.0092 3 C 4.6845 4.7748 0.8974 C.2 1 UNK1111111111 0.6238 4 O 5.4772 4.5583 1.7727 O.2 1 UNK1111111111 -0.4989 5 C 3.2274 2.8781 0.2476 C.3 1 UNK1111111111 -0.3029 6 C 2.4944 2.2195 -0.9218 C.3 1 UNK1111111111 -0.3580 7 C 1.4344 1.2688 -0.3965 C.2 1 UNK1111111111 0.6189 8 O 1.2631 1.0421 0.7792 O.2 1 UNK1111111111 -0.5219 9 O 3.9751 5.9286 0.8501 O.3 1 UNK1111111111 -0.5559 10 N 0.7015 0.6278 -1.3909 N.am 1 UNK1111111111 -0.6025 11 C -0.4599 -0.2009 -1.0862 C.3 1 UNK1111111111 0.0448 12 C -0.1734 -1.2774 -0.0367 C.3 1 UNK1111111111 -0.3562 13 S 1.1161 -2.4194 -0.6830 S.3 1 UNK1111111111 0.0001 14 C 1.6350 -3.2544 0.8749 C.3 1 UNK1111111111 -0.3363 15 C 2.7183 -4.2026 0.4976 C.ar 1 UNK1111111111 0.0049 16 C 4.0564 -3.8119 0.5994 C.ar 1 UNK1111111111 -0.1575 17 C 2.4038 -5.4873 0.0457 C.ar 1 UNK1111111111 -0.1616 18 C 5.0705 -4.7012 0.2525 C.ar 1 UNK1111111111 -0.1413 19 C 3.4210 -6.3724 -0.3027 C.ar 1 UNK1111111111 -0.1421 20 C 4.7549 -5.9815 -0.1984 C.ar 1 UNK1111111111 -0.1524 21 C -1.6027 0.7260 -0.5996 C.2 1 UNK1111111111 0.5393 22 O -1.4715 1.9183 -0.4540 O.2 1 UNK1111111111 -0.4894 23 N -2.8281 0.1187 -0.3733 N.am 2 UNK2222222222 -0.6066 24 C -3.9763 0.9588 -0.0307 C.3 2 UNK2222222222 0.0297 25 C -5.0792 0.1387 0.5894 C.ar 2 UNK2222222222 -0.0532 26 C -5.4959 0.4145 1.8917 C.ar 2 UNK2222222222 -0.1255 27 C -6.5297 -0.3282 2.4595 C.ar 2 UNK2222222222 -0.1468 28 C -7.1398 -1.3484 1.7324 C.ar 2 UNK2222222222 -0.1333 29 C -6.7180 -1.6273 0.4328 C.ar 2 UNK2222222222 -0.1459 30 C -5.6919 -0.8819 -0.1415 C.ar 2 UNK2222222222 -0.1538 31 C -4.5241 1.5995 -1.3109 C.2 2 UNK2222222222 0.6110 32 O -4.4998 1.1603 -2.4278 O.2 2 UNK2222222222 -0.5020 33 O -5.0964 2.7870 -1.0147 O.3 2 UNK2222222222 -0.5420 34 H 6.1264 2.9244 -0.0438 H 1 UNK1111111111 0.2682 35 H 5.3318 2.5186 -1.4250 H 1 UNK1111111111 0.2573 36 H 3.8544 4.5074 -1.0923 H 1 UNK1111111111 0.1830 37 H 3.6876 2.1088 0.8998 H 1 UNK1111111111 0.1708 38 H 2.4901 3.3936 0.9036 H 1 UNK1111111111 0.1794 39 H 2.0198 2.9953 -1.5592 H 1 UNK1111111111 0.1717 40 H 3.2024 1.6661 -1.5706 H 1 UNK1111111111 0.1639 41 H 4.1858 6.5580 1.5836 H 1 UNK1111111111 0.3564 42 H 0.7965 0.9065 -2.3551 H 1 UNK1111111111 0.3127 43 H -0.8029 -0.6799 -2.0510 H 1 UNK1111111111 0.1661 44 H 0.1672 -0.8153 0.9163 H 1 UNK1111111111 0.2045 45 H -1.0828 -1.8546 0.2025 H 1 UNK1111111111 0.1569 46 H 1.9773 -2.5021 1.6129 H 1 UNK1111111111 0.1731 47 H 0.7733 -3.7724 1.3364 H 1 UNK1111111111 0.1644 48 H 4.3076 -2.8110 0.9471 H 1 UNK1111111111 0.1574 49 H 1.3640 -5.7969 -0.0398 H 1 UNK1111111111 0.1536 50 H 6.1117 -4.3949 0.3357 H 1 UNK1111111111 0.1503 51 H 3.1729 -7.3713 -0.6562 H 1 UNK1111111111 0.1491 52 H 5.5482 -6.6751 -0.4683 H 1 UNK1111111111 0.1496 53 H -3.0080 -0.8489 -0.5761 H 2 UNK2222222222 0.3203 54 H -3.6285 1.7857 0.6643 H 2 UNK2222222222 0.2101 55 H -5.0216 1.2107 2.4663 H 2 UNK2222222222 0.1621 56 H -6.8620 -0.1089 3.4725 H 2 UNK2222222222 0.1538 57 H -7.9491 -1.9246 2.1764 H 2 UNK2222222222 0.1514 58 H -7.1964 -2.4224 -0.1366 H 2 UNK2222222222 0.1540 59 H -5.3833 -1.0849 -1.1684 H 2 UNK2222222222 0.1647 60 H -5.4616 3.2633 -1.8019 H 2 UNK2222222222 0.3571 @BOND 1 1 2 1 2 1 34 1 3 1 35 1 4 2 3 1 5 2 5 1 6 2 36 1 7 3 4 2 8 3 9 1 9 5 6 1 10 5 37 1 11 5 38 1 12 6 7 1 13 6 39 1 14 6 40 1 15 7 8 2 16 7 10 am 17 9 41 1 18 10 11 1 19 10 42 1 20 11 12 1 21 11 21 1 22 11 43 1 23 12 13 1 24 12 44 1 25 12 45 1 26 13 14 1 27 14 15 1 28 14 46 1 29 14 47 1 30 15 16 ar 31 15 17 ar 32 16 18 ar 33 16 48 1 34 17 19 ar 35 17 49 1 36 18 20 ar 37 18 50 1 38 19 20 ar 39 19 51 1 40 20 52 1 41 21 22 2 42 21 23 am 43 23 24 1 44 23 53 1 45 24 25 1 46 24 31 1 47 24 54 1 48 25 26 ar 49 25 30 ar 50 26 27 ar 51 26 55 1 52 27 28 ar 53 27 56 1 54 28 29 ar 55 28 57 1 56 29 30 ar 57 29 58 1 58 30 59 1 59 31 32 2 60 31 33 1 61 33 60 1