@MOLECULE l-lysyl-l-glutamine 41 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5058 -1.2418 -1.6438 O.2 1 LYS111111111 -0.4721 2 O -0.5574 2.2395 1.1555 O.3 2 GLN222222222 -0.5819 3 OXT -1.7609 3.1340 -0.4834 O.2 2 GLN222222222 -0.4823 4 OE1 -5.1031 -0.7056 -0.9357 O.2 2 GLN222222222 -0.5154 5 N -0.2963 -0.1145 0.1438 N.am 2 GLN222222222 -0.6382 6 N 0.9044 -3.3069 0.4514 N.3 1 LYS111111111 -0.6437 7 NZ 6.6995 1.3132 -0.1541 N.3 1 LYS111111111 -0.6487 8 NE2 -5.5421 -0.5481 1.2576 N.am 2 GLN222222222 -0.7075 9 CB 2.8199 -1.7699 0.1807 C.3 1 LYS111111111 -0.2817 10 CA 1.3339 -1.9011 0.5643 C.3 1 LYS111111111 -0.0213 11 CG 3.2916 -0.3209 0.3319 C.3 1 LYS111111111 -0.2793 12 CA -1.1067 0.7852 -0.6702 C.3 2 GLN222222222 0.0382 13 CD 4.7942 -0.2172 0.0583 C.3 1 LYS111111111 -0.2777 14 CB -2.5435 0.2559 -0.8673 C.3 2 GLN222222222 -0.2735 15 C 0.4965 -1.0916 -0.4471 C.2 1 LYS111111111 0.5726 16 CG -3.3159 0.1323 0.4488 C.3 2 GLN222222222 -0.3613 17 CE 5.2503 1.2508 0.1399 C.3 1 LYS111111111 -0.1010 18 C -1.1950 2.1710 -0.0444 C.2 2 GLN222222222 0.6000 19 CD -4.7029 -0.4001 0.1663 C.2 2 GLN222222222 0.5980 20 HB1 3.4334 -2.4458 0.8040 H 1 LYS111111111 0.1439 21 HB2 2.9630 -2.1210 -0.8691 H 1 LYS111111111 0.1811 22 HA 1.1909 -1.5016 1.6018 H 1 LYS111111111 0.1156 23 HG1 2.7360 0.3322 -0.3708 H 1 LYS111111111 0.1498 24 HG2 3.0686 0.0555 1.3465 H 1 LYS111111111 0.1328 25 HA -0.6221 0.8912 -1.6938 H 2 GLN222222222 0.2015 26 HD1 5.0382 -0.6204 -0.9468 H 1 LYS111111111 0.1632 27 HD2 5.3631 -0.8378 0.7724 H 1 LYS111111111 0.1359 28 HB1 -2.4965 -0.7348 -1.3757 H 2 GLN222222222 0.1881 29 HB2 -3.0945 0.9139 -1.5757 H 2 GLN222222222 0.1798 30 H -0.2957 0.0529 1.1379 H 2 GLN222222222 0.3212 31 HG1 -2.7871 -0.5472 1.1474 H 2 GLN222222222 0.1662 32 HG2 -3.3806 1.1161 0.9557 H 2 GLN222222222 0.1654 33 HE1 4.7232 1.8540 -0.6321 H 1 LYS111111111 0.1435 34 HE2 4.9902 1.6825 1.1277 H 1 LYS111111111 0.1036 35 H1 1.4916 -3.9325 0.9742 H 1 LYS111111111 0.2604 36 H2 -0.0574 -3.4393 0.7074 H 1 LYS111111111 0.2573 37 HZ1 7.0445 2.2576 -0.1478 H 1 LYS111111111 0.2468 38 HZ2 7.2406 0.7671 0.4914 H 1 LYS111111111 0.2445 39 H -0.5854 3.1379 1.5668 H 2 GLN222222222 0.3630 40 HE21 -6.4726 -0.8894 1.1215 H 2 GLN222222222 0.3134 41 HE22 -5.2890 -0.2892 2.1828 H 2 GLN222222222 0.2997 @BOND 1 1 15 2 2 2 18 1 3 2 39 1 4 3 18 2 5 4 19 2 6 5 12 1 7 5 15 am 8 5 30 1 9 6 10 1 10 6 35 1 11 6 36 1 12 7 17 1 13 7 37 1 14 7 38 1 15 8 19 am 16 8 40 1 17 8 41 1 18 9 10 1 19 9 11 1 20 9 20 1 21 9 21 1 22 10 15 1 23 10 22 1 24 11 13 1 25 11 23 1 26 11 24 1 27 12 14 1 28 12 18 1 29 12 25 1 30 13 17 1 31 13 26 1 32 13 27 1 33 14 16 1 34 14 28 1 35 14 29 1 36 16 19 1 37 16 31 1 38 16 32 1 39 17 33 1 40 17 34 1