@MOLECULE n~5~-[(1s)-1-carboxyethyl]-l-ornithine 30 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8613 1.8010 0.2917 O.3 1 ALA1111111111 -0.5602 2 O 4.1253 1.0088 1.1918 O.3 1 ALA1111111111 -0.5947 3 OXT -3.5302 0.5894 -1.5540 O.2 1 ALA1111111111 -0.5080 4 OXT 3.9172 1.3052 -1.0030 O.2 1 ALA1111111111 -0.4721 5 N 1.5926 -0.4546 -0.4173 N.3 1 ALA1111111111 -0.5569 6 N -3.5663 -1.7949 0.0637 N.3 1 ALA1111111111 -0.6222 7 CG -0.8205 -0.5526 0.0861 C.3 1 ALA1111111111 -0.2975 8 CB -1.8777 -0.3513 1.1748 C.3 1 ALA1111111111 -0.2772 9 CD 0.5827 -0.2637 0.6480 C.3 1 ALA1111111111 -0.0984 10 CA -3.3221 -0.4736 0.6510 C.3 1 ALA1111111111 -0.0032 11 CA 2.9486 -0.7022 0.0981 C.3 1 ALA1111111111 0.0145 12 CB 3.7081 -1.7387 -0.7343 C.3 1 ALA1111111111 -0.4727 13 C -3.5645 0.6492 -0.3537 C.2 1 ALA1111111111 0.5799 14 C 3.6820 0.6317 -0.0415 C.2 1 ALA1111111111 0.6285 15 HG1 -0.8647 -1.5889 -0.3019 H 1 ALA1111111111 0.1430 16 HG2 -1.0148 0.1097 -0.7835 H 1 ALA1111111111 0.1667 17 HB1 -1.7350 -1.1050 1.9779 H 1 ALA1111111111 0.1620 18 HB2 -1.7525 0.6407 1.6564 H 1 ALA1111111111 0.1583 19 HD1 0.7730 -0.8912 1.5451 H 1 ALA1111111111 0.1180 20 HD2 0.6571 0.8006 0.9724 H 1 ALA1111111111 0.1519 21 HA -4.0312 -0.3455 1.5190 H 1 ALA1111111111 0.1773 22 H 1.3110 -1.1515 -1.1006 H 1 ALA1111111111 0.2749 23 HA 2.9493 -1.0089 1.1798 H 1 ALA1111111111 0.1575 24 HB1 3.7288 -1.4624 -1.8002 H 1 ALA1111111111 0.1756 25 HB2 4.7515 -1.8321 -0.4053 H 1 ALA1111111111 0.1636 26 HB3 3.2525 -2.7317 -0.6538 H 1 ALA1111111111 0.1549 27 H1 -2.9489 -1.9873 -0.7123 H 1 ALA1111111111 0.2632 28 H2 -4.5205 -1.9078 -0.2447 H 1 ALA1111111111 0.2604 29 H -4.0215 2.5734 -0.3075 H 1 ALA1111111111 0.3591 30 H 4.6334 1.8540 1.1987 H 1 ALA1111111111 0.3540 @BOND 1 1 13 1 2 1 29 1 3 2 14 1 4 2 30 1 5 3 13 2 6 4 14 2 7 5 9 1 8 5 11 1 9 5 22 1 10 6 10 1 11 6 27 1 12 6 28 1 13 7 8 1 14 7 9 1 15 7 15 1 16 7 16 1 17 8 10 1 18 8 17 1 19 8 18 1 20 9 19 1 21 9 20 1 22 10 13 1 23 10 21 1 24 11 12 1 25 11 14 1 26 11 23 1 27 12 24 1 28 12 25 1 29 12 26 1