@MOLECULE l-gamma-glutamyl-s-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-l-cysteinylglycine 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.2168 1.5465 -0.1669 C.3 1 UNK1111111111 -0.2556 2 C -7.5684 2.3625 -0.0625 C.2 1 UNK1111111111 0.5743 3 C -1.2321 -2.3169 0.4283 C.2 1 UNK1111111111 0.5424 4 CA -1.3194 -4.7186 -0.0681 C.3 2 GLY2222222222 -0.1392 5 C 2.9605 1.7290 -2.8999 C.3 1 UNK1111111111 -0.4502 6 O 5.7015 1.5556 -2.4156 O.2 1 UNK1111111111 -0.3915 7 C 4.9882 1.4898 -1.4438 C.2 1 UNK1111111111 0.4210 8 C 5.5410 1.5441 -0.0710 C.ar 1 UNK1111111111 -0.1230 9 C 4.7666 1.1040 1.0069 C.ar 1 UNK1111111111 -0.1223 10 C 3.4033 0.5722 0.7618 C.2 1 UNK1111111111 0.4602 11 C 2.7660 0.9523 -0.5216 C.2 1 UNK1111111111 -0.2424 12 S 1.0064 0.9660 -0.5983 S.3 1 UNK1111111111 0.1100 13 C 0.5019 -0.5649 0.2821 C.3 1 UNK1111111111 -0.3597 14 C -0.9398 -0.8973 -0.1108 C.3 1 UNK1111111111 0.0177 15 N -1.8838 0.0103 0.5296 N.am 1 UNK1111111111 -0.6075 16 C -2.9406 0.5427 -0.1959 C.2 1 UNK1111111111 0.5994 17 C -3.9076 1.3768 0.6071 C.3 1 UNK1111111111 -0.3518 18 C -6.3155 2.0918 0.7645 C.3 1 UNK1111111111 -0.0054 19 O -7.3825 3.4126 -0.8942 O.3 1 UNK1111111111 -0.5548 20 O -8.6157 1.7751 -0.0094 O.2 1 UNK1111111111 -0.5092 21 N -6.5974 1.1368 1.8435 N.3 1 UNK1111111111 -0.6258 22 O -3.0272 0.3477 -1.3900 O.2 1 UNK1111111111 -0.5376 23 N -1.1693 -3.3345 -0.4991 N.am 2 GLY2222222222 -0.5771 24 C -0.0892 -5.5006 -0.4703 C.2 2 GLY2222222222 0.6148 25 O -0.0716 -6.6949 0.1656 O.3 2 GLY2222222222 -0.5543 26 OXT 0.7676 -5.1804 -1.2491 O.2 2 GLY2222222222 -0.4963 27 O -1.5229 -2.5221 1.5864 O.2 1 UNK1111111111 -0.5205 28 C 3.5009 1.3631 -1.5709 C.2 1 UNK1111111111 0.0006 29 O 2.8609 -0.1384 1.5745 O.2 1 UNK1111111111 -0.4224 30 C 5.2783 1.1422 2.2994 C.ar 1 UNK1111111111 -0.0932 31 C 6.5693 1.6324 2.5144 C.ar 1 UNK1111111111 -0.1319 32 C 7.3410 2.0678 1.4418 C.ar 1 UNK1111111111 -0.1325 33 C 6.8301 2.0198 0.1418 C.ar 1 UNK1111111111 -0.0938 34 H -5.0678 2.2304 -1.0292 H 1 UNK1111111111 0.1717 35 H -5.5239 0.5796 -0.6162 H 1 UNK1111111111 0.1652 36 HA1 -1.4818 -4.7781 1.0437 H 2 GLY2222222222 0.2154 37 HA2 -2.2275 -5.1775 -0.5332 H 2 GLY2222222222 0.1803 38 H 3.7447 1.7824 -3.6766 H 1 UNK1111111111 0.1808 39 H 2.2118 1.0054 -3.2662 H 1 UNK1111111111 0.1805 40 H 2.4687 2.7158 -2.8833 H 1 UNK1111111111 0.1733 41 H 1.1912 -1.3956 0.0329 H 1 UNK1111111111 0.1838 42 H 0.5981 -0.4287 1.3814 H 1 UNK1111111111 0.1967 43 H -1.0875 -0.8584 -1.2305 H 1 UNK1111111111 0.1975 44 H -1.8471 0.0524 1.5395 H 1 UNK1111111111 0.3271 45 H -3.4527 2.3638 0.8307 H 1 UNK1111111111 0.1721 46 H -4.1158 0.9093 1.5980 H 1 UNK1111111111 0.1932 47 H -5.9739 3.0583 1.2300 H 1 UNK1111111111 0.1770 48 H -8.1705 3.6264 -1.4545 H 1 UNK1111111111 0.3586 49 H -7.3230 1.4627 2.4639 H 1 UNK1111111111 0.2620 50 H -6.8576 0.2265 1.4912 H 1 UNK1111111111 0.2655 51 H -0.8531 -3.1864 -1.4483 H 2 GLY2222222222 0.3293 52 H 0.7159 -7.2545 -0.0548 H 2 GLY2222222222 0.3619 53 H 4.6720 0.7849 3.1361 H 1 UNK1111111111 0.1758 54 H 6.9704 1.6689 3.5276 H 1 UNK1111111111 0.1574 55 H 8.3498 2.4428 1.6111 H 1 UNK1111111111 0.1573 56 H 7.4361 2.3490 -0.7060 H 1 UNK1111111111 0.1751 @BOND 1 1 18 1 2 1 17 1 3 1 34 1 4 1 35 1 5 2 20 2 6 2 19 1 7 3 27 2 8 3 14 1 9 4 23 1 10 4 36 1 11 4 37 1 12 5 38 1 13 5 39 1 14 5 40 1 15 7 6 2 16 7 28 1 17 8 7 1 18 9 8 ar 19 9 10 1 20 10 11 1 21 11 28 2 22 11 12 1 23 13 12 1 24 13 41 1 25 13 42 1 26 14 13 1 27 14 15 1 28 14 43 1 29 15 16 am 30 15 44 1 31 16 17 1 32 17 45 1 33 17 46 1 34 18 2 1 35 18 47 1 36 19 48 1 37 21 18 1 38 21 49 1 39 21 50 1 40 22 16 2 41 23 3 am 42 23 51 1 43 24 25 1 44 24 4 1 45 25 52 1 46 26 24 2 47 28 5 1 48 29 10 2 49 30 9 ar 50 30 53 1 51 31 32 ar 52 31 30 ar 53 31 54 1 54 32 33 ar 55 32 55 1 56 33 8 ar 57 33 56 1