@MOLECULE n~6~-(2-amino-2-carboxyethyl)lysine 35 34 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.3573 0.7444 1.3618 O.3 1 UNL1111111111 -0.4258 2 OXT 4.5564 1.4993 -0.5771 O.2 1 UNL1111111111 -0.3815 3 O -4.3873 -1.3648 1.2016 O.3 1 UNL1111111111 -0.4367 4 OXT -5.0671 -1.1161 -0.9137 O.2 1 UNL1111111111 -0.3412 5 NZ -1.8631 0.1772 0.1946 N.3 1 UNL1111111111 -0.5196 6 N 4.5831 -1.2316 -1.4341 N.3 1 UNL1111111111 -1.0162 7 N -5.2314 1.7339 -0.2561 N.3 1 UNL1111111111 -1.0780 8 CG 1.8868 -0.3090 -0.2938 C.3 1 UNL1111111111 -0.0401 9 CD 0.5091 -0.4391 0.3623 C.3 1 UNL1111111111 -0.3766 10 CB 2.9342 -1.0841 0.5110 C.3 1 UNL1111111111 -0.7192 11 CE -0.5278 0.3961 -0.4091 C.3 1 UNL1111111111 -0.3664 12 CA 4.3710 -0.8873 -0.0191 C.3 1 UNL1111111111 0.2786 13 C -2.8693 1.0992 -0.3706 C.3 1 UNL1111111111 -0.4481 14 CA -4.2321 0.8268 0.3191 C.3 1 UNL1111111111 0.2889 15 C 4.7522 0.5718 0.1606 C.2 1 UNL1111111111 0.2888 16 C -4.5965 -0.6349 0.0820 C.2 1 UNL1111111111 0.1848 17 HG1 1.8448 -0.6825 -1.3344 H 1 UNL1111111111 0.1082 18 HG2 2.1721 0.7603 -0.3720 H 1 UNL1111111111 0.1106 19 HD1 0.1878 -1.4992 0.3842 H 1 UNL1111111111 0.1995 20 HD2 0.5531 -0.1139 1.4182 H 1 UNL1111111111 0.2040 21 HB1 2.6893 -2.1642 0.5058 H 1 UNL1111111111 0.2459 22 HB2 2.8968 -0.7812 1.5775 H 1 UNL1111111111 0.2503 23 HE1 -0.5799 0.0588 -1.4691 H 1 UNL1111111111 0.2188 24 HE2 -0.2282 1.4658 -0.4198 H 1 UNL1111111111 0.1865 25 HA 5.0753 -1.5320 0.5839 H 1 UNL1111111111 0.1953 26 HZ -1.8243 0.2513 1.2106 H 1 UNL1111111111 0.3614 27 H -2.9476 0.9042 -1.4649 H 1 UNL1111111111 0.2534 28 H -2.6140 2.1758 -0.2509 H 1 UNL1111111111 0.2131 29 HA -4.1536 1.0294 1.4215 H 1 UNL1111111111 0.2047 30 H1 4.2109 -0.5299 -2.0590 H 1 UNL1111111111 0.3905 31 H2 4.1879 -2.1287 -1.6643 H 1 UNL1111111111 0.4132 32 H1 -6.1122 1.6958 0.2322 H 1 UNL1111111111 0.4245 33 H2 -5.3889 1.5587 -1.2393 H 1 UNL1111111111 0.4137 34 H 5.6352 1.6768 1.5380 H 1 UNL1111111111 0.3405 35 H -4.5421 -2.3348 1.0807 H 1 UNL1111111111 0.3746 @BOND 1 1 15 1 2 1 34 1 3 2 15 2 4 3 16 1 5 3 35 1 6 4 16 2 7 5 11 1 8 5 13 1 9 5 26 1 10 6 12 1 11 6 30 1 12 6 31 1 13 7 14 1 14 7 32 1 15 7 33 1 16 8 9 1 17 8 10 1 18 8 17 1 19 8 18 1 20 9 11 1 21 9 19 1 22 9 20 1 23 10 12 1 24 10 21 1 25 10 22 1 26 11 23 1 27 11 24 1 28 12 15 1 29 12 25 1 30 13 14 1 31 13 27 1 32 13 28 1 33 14 16 1 34 14 29 1