@MOLECULE n~2~-[(1r)-1-carboxyethyl]-l-ornithine 30 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7509 3.0554 -0.4006 O.3 1 ALA1111111111 -0.5611 2 OXT -0.9913 2.0550 1.5798 O.2 1 ALA1111111111 -0.4935 3 O 3.8459 -0.8733 0.2793 O.3 1 ALA1111111111 -0.5474 4 OXT 2.9126 0.4107 -1.2839 O.2 1 ALA1111111111 -0.5161 5 N 0.6898 0.0200 0.6322 N.3 1 ALA1111111111 -0.5513 6 N -4.2155 -1.9959 0.2045 N.3 1 ALA1111111111 -0.6441 7 CA -0.0901 0.8012 -0.3377 C.3 1 ALA1111111111 -0.0196 8 C -1.2637 0.0736 -1.0273 C.3 1 ALA1111111111 -0.3216 9 C -2.1776 -0.6514 -0.0395 C.3 1 ALA1111111111 -0.2861 10 CA 1.4739 -1.0714 0.0232 C.3 1 ALA1111111111 0.0214 11 C -3.3583 -1.3020 -0.7824 C.3 1 ALA1111111111 -0.1018 12 C -0.6457 1.9885 0.4323 C.2 1 ALA1111111111 0.6313 13 CB 1.7106 -2.1924 1.0327 C.3 1 ALA1111111111 -0.4576 14 C 2.7804 -0.4067 -0.4121 C.2 1 ALA1111111111 0.6313 15 HA 0.6253 1.1827 -1.1306 H 1 ALA1111111111 0.2039 16 H -0.8638 -0.6411 -1.7726 H 1 ALA1111111111 0.1487 17 H -1.8461 0.8119 -1.6179 H 1 ALA1111111111 0.1650 18 H -2.5713 0.0506 0.7273 H 1 ALA1111111111 0.1733 19 H -1.6201 -1.4205 0.5250 H 1 ALA1111111111 0.1354 20 H 0.1272 -0.2939 1.4245 H 1 ALA1111111111 0.2931 21 HA 0.9948 -1.4928 -0.9043 H 1 ALA1111111111 0.1493 22 H -2.9863 -1.9760 -1.5828 H 1 ALA1111111111 0.1048 23 H -3.9757 -0.5174 -1.2752 H 1 ALA1111111111 0.1448 24 HB1 0.7816 -2.7092 1.2955 H 1 ALA1111111111 0.1490 25 HB2 2.4126 -2.9410 0.6408 H 1 ALA1111111111 0.1670 26 HB3 2.1602 -1.8066 1.9619 H 1 ALA1111111111 0.1789 27 H -3.7201 -2.7243 0.6897 H 1 ALA1111111111 0.2445 28 H -5.0362 -2.3902 -0.2233 H 1 ALA1111111111 0.2492 29 H -1.0968 3.8706 0.0394 H 1 ALA1111111111 0.3563 30 H 4.6964 -0.4259 0.0402 H 1 ALA1111111111 0.3530 @BOND 1 1 12 1 2 1 29 1 3 2 12 2 4 3 14 1 5 3 30 1 6 4 14 2 7 5 7 1 8 5 10 1 9 5 20 1 10 6 11 1 11 6 27 1 12 6 28 1 13 7 8 1 14 7 12 1 15 7 15 1 16 8 9 1 17 8 16 1 18 8 17 1 19 9 11 1 20 9 18 1 21 9 19 1 22 10 13 1 23 10 14 1 24 10 21 1 25 11 22 1 26 11 23 1 27 13 24 1 28 13 25 1 29 13 26 1