@MOLECULE n~2~-(1-carboxyethyl)lysine 33 32 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3486 -1.7629 1.5207 O.3 1 ALA1111111111 -0.5541 2 OXT 0.6017 -2.5746 -0.3253 O.2 1 ALA1111111111 -0.5193 3 O 4.0004 0.7195 1.2315 O.3 1 ALA1111111111 -0.5821 4 OXT 2.3427 2.0905 0.6666 O.2 1 ALA1111111111 -0.4703 5 N 1.3156 0.0922 -1.0892 N.3 1 ALA1111111111 -0.5388 6 NZ -6.0135 0.7085 -0.2224 N.3 1 ALA1111111111 -0.6517 7 CB -1.1113 0.1824 -0.8266 C.3 1 ALA1111111111 -0.2779 8 CA 0.2261 -0.1601 -0.1384 C.3 1 ALA1111111111 -0.0107 9 CG -2.2484 0.2805 0.1938 C.3 1 ALA1111111111 -0.2752 10 CD -3.5819 0.5220 -0.5186 C.3 1 ALA1111111111 -0.2789 11 CA 2.6682 -0.0697 -0.5186 C.3 1 ALA1111111111 0.0064 12 CE -4.7307 0.5733 0.5048 C.3 1 ALA1111111111 -0.1011 13 C 0.1943 -1.6240 0.2889 C.2 1 ALA1111111111 0.5822 14 CB 3.7049 0.0527 -1.6406 C.3 1 ALA1111111111 -0.4498 15 C 2.9176 1.0577 0.4737 C.2 1 ALA1111111111 0.6150 16 HB1 -0.9954 1.1521 -1.3593 H 1 ALA1111111111 0.1728 17 HB2 -1.3509 -0.5626 -1.6086 H 1 ALA1111111111 0.1492 18 HA 0.3648 0.5028 0.7621 H 1 ALA1111111111 0.1919 19 HG1 -2.0446 1.0974 0.9134 H 1 ALA1111111111 0.1457 20 HG2 -2.3056 -0.6453 0.8011 H 1 ALA1111111111 0.1530 21 HD1 -3.7857 -0.2826 -1.2538 H 1 ALA1111111111 0.1577 22 HD2 -3.5465 1.4595 -1.1026 H 1 ALA1111111111 0.1382 23 H 1.2109 -0.4592 -1.9434 H 1 ALA1111111111 0.2849 24 HA 2.8002 -1.0559 0.0111 H 1 ALA1111111111 0.1630 25 HE1 -4.5587 1.3918 1.2352 H 1 ALA1111111111 0.1066 26 HE2 -4.7667 -0.3774 1.0821 H 1 ALA1111111111 0.1408 27 HB1 4.7269 0.0367 -1.2366 H 1 ALA1111111111 0.1688 28 HB2 3.6229 -0.7755 -2.3554 H 1 ALA1111111111 0.1593 29 HB3 3.5797 0.9889 -2.2038 H 1 ALA1111111111 0.1695 30 HZ1 -6.0543 1.5579 -0.7594 H 1 ALA1111111111 0.2456 31 HZ2 -6.8025 0.6783 0.4006 H 1 ALA1111111111 0.2470 32 H -0.3967 -2.7003 1.8353 H 1 ALA1111111111 0.3559 33 H 4.2510 1.4024 1.8978 H 1 ALA1111111111 0.3563 @BOND 1 1 13 1 2 1 32 1 3 2 13 2 4 3 15 1 5 3 33 1 6 4 15 2 7 5 8 1 8 5 11 1 9 5 23 1 10 6 12 1 11 6 30 1 12 6 31 1 13 7 8 1 14 7 9 1 15 7 16 1 16 7 17 1 17 8 13 1 18 8 18 1 19 9 10 1 20 9 19 1 21 9 20 1 22 10 12 1 23 10 21 1 24 10 22 1 25 11 14 1 26 11 15 1 27 11 24 1 28 12 25 1 29 12 26 1 30 14 27 1 31 14 28 1 32 14 29 1