@MOLECULE n~5~-[n'-(2-methoxyethyl)carbamimidoyl]-l-ornithine 36 35 0 0 0 SMALL GASTEIGER @ATOM 1 N1 -4.3273 -0.8527 1.8107 N.3 1 <1> -0.6345 2 C1 -4.3351 0.0877 0.6781 C.3 1 <1> -0.0117 3 C2 -4.4480 -0.7373 -0.5933 C.2 1 <1> 0.6306 4 O1 -3.9144 -1.7799 -0.8624 O.2 1 <1> -0.5060 5 C3 -3.0975 1.0042 0.5627 C.3 1 <1> -0.3190 6 C4 -1.7881 0.2221 0.4536 C.3 1 <1> -0.2995 7 C5 -0.6225 1.1874 0.1849 C.3 1 <1> -0.0698 8 N2 0.6156 0.3883 0.0324 N.pl3 1 <1> -0.5463 9 C6 1.8059 1.1407 -0.1248 C.cat 1 <1> 0.5341 10 N3 2.9150 0.3083 -0.4448 N.pl3 1 <1> -0.5973 11 N4 1.7854 2.4290 -0.0052 N.pl3 1 <1> -0.6955 12 C7 4.2566 0.8934 -0.2520 C.3 1 <1> -0.1072 13 C8 5.8550 -2.3317 0.2602 C.3 1 <1> -0.1957 14 O2 -5.2522 -0.1066 -1.4850 O.3 1 <1> -0.5608 15 O3 5.1686 -1.1175 0.4926 O.3 1 <1> -0.3888 16 C9 5.3022 -0.1880 -0.5754 C.3 1 <1> -0.0615 17 H1 -4.0970 -0.3937 2.6778 H 1 <1> 0.2604 18 H2 -3.6906 -1.6242 1.6608 H 1 <1> 0.2679 19 H3 -5.2575 0.7287 0.7894 H 1 <1> 0.1801 20 H4 -3.0621 1.6796 1.4408 H 1 <1> 0.1552 21 H5 -3.2218 1.6741 -0.3133 H 1 <1> 0.1616 22 H6 -5.3649 -0.5977 -2.3369 H 1 <1> 0.3570 23 H7 -1.8517 -0.5370 -0.3520 H 1 <1> 0.1564 24 H8 -1.5899 -0.3477 1.3826 H 1 <1> 0.1531 25 H9 -0.8166 1.8190 -0.7092 H 1 <1> 0.1378 26 H10 -0.4785 1.8919 1.0378 H 1 <1> 0.1678 27 H11 0.5129 -0.3911 -0.6151 H 1 <1> 0.2922 28 H12 2.8691 -0.6523 -0.0957 H 1 <1> 0.3099 29 H13 2.6285 2.9671 0.0020 H 1 <1> 0.2795 30 H14 4.4064 1.2629 0.7885 H 1 <1> 0.1441 31 H15 4.3806 1.7547 -0.9461 H 1 <1> 0.1497 32 H16 6.3252 0.2251 -0.5711 H 1 <1> 0.1266 33 H17 5.1007 -0.6754 -1.5459 H 1 <1> 0.1358 34 H18 5.4521 -2.8499 -0.6158 H 1 <1> 0.1235 35 H19 5.6488 -2.9080 1.1721 H 1 <1> 0.1486 36 H20 6.9306 -2.1620 0.1550 H 1 <1> 0.1218 @BOND 1 1 2 1 2 1 17 1 3 1 18 1 4 2 3 1 5 2 5 1 6 2 19 1 7 3 4 2 8 3 14 1 9 5 6 1 10 5 20 1 11 5 21 1 12 6 7 1 13 6 23 1 14 6 24 1 15 7 8 1 16 7 25 1 17 7 26 1 18 8 9 1 19 8 27 1 20 9 10 1 21 9 11 2 22 10 12 1 23 10 28 1 24 11 29 1 25 12 16 1 26 12 30 1 27 12 31 1 28 13 15 1 29 13 34 1 30 13 35 1 31 13 36 1 32 14 22 1 33 15 16 1 34 16 32 1 35 16 33 1