@MOLECULE 6-amino-2-iminohexanoic acid 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7312 -0.2645 -0.3438 O.3 1 LYS111111111 -0.4800 2 C -2.6217 0.4067 0.0088 C.2 1 LYS111111111 0.5997 3 OXT -2.6363 1.5947 0.2185 O.2 1 LYS111111111 -0.5040 4 CA -1.3925 -0.4728 0.0687 C.2 1 LYS111111111 0.1557 5 N -1.5515 -1.7261 0.2232 N.2 1 LYS111111111 -0.4435 6 CB -0.1343 0.3435 -0.0327 C.3 1 LYS111111111 -0.3371 7 CG 1.1431 -0.4970 0.0106 C.3 1 LYS111111111 -0.2708 8 CD 2.3737 0.4132 -0.0338 C.3 1 LYS111111111 -0.2785 9 CE 3.6667 -0.4245 -0.0009 C.3 1 LYS111111111 -0.1033 10 NZ 4.8240 0.4908 -0.1143 N.3 1 LYS111111111 -0.6456 11 H -4.5475 0.3039 -0.3385 H 1 LYS111111111 0.3459 12 H -0.7676 -2.3556 0.2758 H 1 LYS111111111 0.2705 13 HB1 -0.1558 0.9547 -0.9641 H 1 LYS111111111 0.1780 14 HB2 -0.1248 1.0980 0.7900 H 1 LYS111111111 0.1853 15 HG1 1.1699 -1.1126 0.9301 H 1 LYS111111111 0.1381 16 HG2 1.1667 -1.2032 -0.8420 H 1 LYS111111111 0.1422 17 HD1 2.3702 1.0398 -0.9495 H 1 LYS111111111 0.1625 18 HD2 2.3624 1.1275 0.8120 H 1 LYS111111111 0.1430 19 HE1 3.6995 -1.0516 0.9151 H 1 LYS111111111 0.1066 20 HE2 3.6917 -1.1137 -0.8748 H 1 LYS111111111 0.1404 21 HZ1 4.8782 1.1236 0.6648 H 1 LYS111111111 0.2466 22 HZ2 5.6919 -0.0087 -0.1905 H 1 LYS111111111 0.2483 @BOND 1 1 11 1 2 2 1 1 3 2 4 1 4 3 2 2 5 4 5 2 6 5 12 1 7 6 4 1 8 6 7 1 9 6 13 1 10 6 14 1 11 7 8 1 12 7 15 1 13 7 16 1 14 8 9 1 15 8 17 1 16 8 18 1 17 9 10 1 18 9 19 1 19 9 20 1 20 10 21 1 21 10 22 1