@MOLECULE l-gamma-glutamyl-s-[(2r,3s,5r)-5-hydroxy-2-pentyltetrahydro-3-furanyl]-l-cysteinylglycine 64 64 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.8354 -3.2058 0.1443 C.2 1 UNK1111111111 0.5799 2 C 2.0789 2.0816 0.5902 C.2 1 UNK1111111111 0.5363 3 C 5.0772 1.4206 1.2606 C.2 2 GLY2222222222 0.6334 4 N 2.7509 -1.9738 0.6603 N.3 1 UNK1111111111 -0.6511 5 C 3.4709 -2.7435 -0.3649 C.3 1 UNK1111111111 0.0030 6 O 5.5799 -3.7137 -0.8703 O.3 1 UNK1111111111 -0.5670 7 O 5.2545 -3.1811 1.2683 O.2 1 UNK1111111111 -0.4942 8 C 3.6820 -1.9128 -1.6460 C.3 1 UNK1111111111 -0.2674 9 C 2.3609 -1.4336 -2.2551 C.3 1 UNK1111111111 -0.3368 10 C 2.1123 0.0036 -1.8597 C.2 1 UNK1111111111 0.6081 11 O 2.6028 0.9477 -2.4571 O.2 1 UNK1111111111 -0.5954 12 N 1.2605 0.2215 -0.7951 N.am 1 UNK1111111111 -0.5853 13 C 0.9681 1.5886 -0.3701 C.3 1 UNK1111111111 0.0174 14 O 1.9132 2.2238 1.7809 O.2 1 UNK1111111111 -0.5194 15 C -0.3689 1.6583 0.3666 C.3 1 UNK1111111111 -0.3406 16 S -1.7092 1.6933 -0.8905 S.3 1 UNK1111111111 -0.0264 17 N 3.2697 2.4102 -0.0310 N.am 2 GLY2222222222 -0.5748 18 CA 4.4315 2.7068 0.7888 C.3 2 GLY2222222222 -0.1306 19 O 6.2021 1.6851 1.9604 O.3 2 GLY2222222222 -0.5488 20 OXT 4.7084 0.2915 1.0714 O.2 2 GLY2222222222 -0.5431 21 C -3.2192 1.5056 0.1446 C.3 1 UNK1111111111 -0.2001 22 C -4.0906 2.7677 0.1402 C.3 1 UNK1111111111 -0.3494 23 O -6.3940 2.2704 0.4556 O.3 1 UNK1111111111 -0.6152 24 C -5.4003 2.3392 -0.5409 C.3 1 UNK1111111111 0.3751 25 O -5.2029 1.0644 -1.0994 O.3 1 UNK1111111111 -0.4582 26 C -4.1110 0.3998 -0.4677 C.3 1 UNK1111111111 0.1246 27 C -4.6524 -0.5527 0.6019 C.3 1 UNK1111111111 -0.3305 28 C -5.5387 -1.6216 -0.0465 C.3 1 UNK1111111111 -0.2690 29 C -6.1961 -2.4949 1.0271 C.3 1 UNK1111111111 -0.2708 30 C -7.0424 -3.6041 0.3874 C.3 1 UNK1111111111 -0.2482 31 C -7.7155 -4.4567 1.4626 C.3 1 UNK1111111111 -0.4404 32 H 2.7202 -2.4636 1.5468 H 1 UNK1111111111 0.2709 33 H 3.1870 -1.0712 0.8172 H 1 UNK1111111111 0.2831 34 H 2.8608 -3.6607 -0.5998 H 1 UNK1111111111 0.1736 35 H 6.4762 -4.0238 -0.5908 H 1 UNK1111111111 0.3576 36 H 4.2337 -2.5294 -2.3896 H 1 UNK1111111111 0.1734 37 H 4.3519 -1.0500 -1.4382 H 1 UNK1111111111 0.1673 38 H 1.5233 -2.0974 -1.9620 H 1 UNK1111111111 0.1743 39 H 2.4117 -1.4807 -3.3656 H 1 UNK1111111111 0.1772 40 H 1.0379 -0.5401 -0.1572 H 1 UNK1111111111 0.3442 41 H 0.9709 2.2642 -1.2800 H 1 UNK1111111111 0.1961 42 H -0.4163 2.5696 0.9989 H 1 UNK1111111111 0.1849 43 H -0.4880 0.8092 1.0653 H 1 UNK1111111111 0.1711 44 H 3.4278 2.1399 -1.0036 H 2 GLY2222222222 0.3482 45 HA1 5.1609 3.3266 0.2128 H 2 GLY2222222222 0.1850 46 HA2 4.1331 3.3166 1.6869 H 2 GLY2222222222 0.2078 47 H 6.6428 0.8746 2.3291 H 2 GLY2222222222 0.3660 48 H -2.9171 1.2457 1.1806 H 1 UNK1111111111 0.1613 49 H -3.6349 3.6254 -0.3820 H 1 UNK1111111111 0.1697 50 H -4.2971 3.1215 1.1705 H 1 UNK1111111111 0.1769 51 H -6.8887 1.4287 0.4038 H 1 UNK1111111111 0.3448 52 H -5.7868 2.9773 -1.3576 H 1 UNK1111111111 0.1364 53 H -3.6463 -0.1620 -1.3085 H 1 UNK1111111111 0.1555 54 H -5.2313 0.0143 1.3568 H 1 UNK1111111111 0.1574 55 H -3.8170 -1.0291 1.1475 H 1 UNK1111111111 0.1457 56 H -4.9426 -2.2450 -0.7379 H 1 UNK1111111111 0.1379 57 H -6.3138 -1.1380 -0.6743 H 1 UNK1111111111 0.1509 58 H -6.8296 -1.8728 1.6867 H 1 UNK1111111111 0.1374 59 H -5.4226 -2.9410 1.6795 H 1 UNK1111111111 0.1365 60 H -6.4086 -4.2381 -0.2591 H 1 UNK1111111111 0.1324 61 H -7.8071 -3.1620 -0.2787 H 1 UNK1111111111 0.1361 62 H -8.3090 -5.2627 1.0184 H 1 UNK1111111111 0.1404 63 H -6.9783 -4.9190 2.1282 H 1 UNK1111111111 0.1414 64 H -8.3905 -3.8553 2.0833 H 1 UNK1111111111 0.1439 @BOND 1 1 5 1 2 1 6 1 3 1 7 2 4 2 13 1 5 2 14 2 6 2 17 am 7 3 18 1 8 3 19 1 9 3 20 2 10 4 5 1 11 4 32 1 12 4 33 1 13 5 8 1 14 5 34 1 15 6 35 1 16 8 9 1 17 8 36 1 18 8 37 1 19 9 10 1 20 9 38 1 21 9 39 1 22 10 11 2 23 10 12 am 24 12 13 1 25 12 40 1 26 13 15 1 27 13 41 1 28 15 16 1 29 15 42 1 30 15 43 1 31 16 21 1 32 17 18 1 33 17 44 1 34 18 45 1 35 18 46 1 36 19 47 1 37 21 22 1 38 21 26 1 39 21 48 1 40 22 24 1 41 22 49 1 42 22 50 1 43 23 24 1 44 23 51 1 45 24 25 1 46 24 52 1 47 25 26 1 48 26 27 1 49 26 53 1 50 27 28 1 51 27 54 1 52 27 55 1 53 28 29 1 54 28 56 1 55 28 57 1 56 29 30 1 57 29 58 1 58 29 59 1 59 30 31 1 60 30 60 1 61 30 61 1 62 31 62 1 63 31 63 1 64 31 64 1