@MOLECULE n~5~-(chloroacetyl)-l-ornithine 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.4941 1.7316 -0.3475 Cl 1 UNL1111111111 -0.1131 2 O 1.6500 1.8917 -0.0709 O.3 1 UNL1111111111 -0.5523 3 OXT 3.1156 1.0821 1.4135 O.2 1 UNL1111111111 -0.5106 4 O -2.6357 -1.3702 1.4069 O.2 1 UNL1111111111 -0.4953 5 N -1.5486 -1.2169 -0.5826 N.am 1 UNL1111111111 -0.5851 6 N 3.8454 -1.0265 -0.2933 N.3 1 UNL1111111111 -0.6227 7 C 1.5044 -0.7894 -1.0543 C.3 1 UNL1111111111 -0.2738 8 C 0.7957 -1.3228 0.1937 C.3 1 UNL1111111111 -0.3098 9 CA 2.8241 -0.0670 -0.7240 C.3 1 UNL1111111111 -0.0031 10 C -0.4664 -2.1207 -0.1770 C.3 1 UNL1111111111 -0.0629 11 C 2.5772 0.9965 0.3409 C.2 1 UNL1111111111 0.5777 12 C -2.5130 -0.8324 0.3277 C.2 1 UNL1111111111 0.5624 13 C -3.4552 0.2606 -0.1405 C.3 1 UNL1111111111 -0.2941 14 H 1.7287 -1.6281 -1.7491 H 1 UNL1111111111 0.1640 15 H 0.8458 -0.0901 -1.6080 H 1 UNL1111111111 0.1509 16 H 0.5205 -0.4932 0.8772 H 1 UNL1111111111 0.1625 17 H 1.4746 -1.9776 0.7691 H 1 UNL1111111111 0.1518 18 HA 3.1999 0.4461 -1.6539 H 1 UNL1111111111 0.1741 19 H -0.2535 -2.8195 -1.0178 H 1 UNL1111111111 0.1417 20 H -0.8012 -2.7433 0.6887 H 1 UNL1111111111 0.1727 21 H -1.3723 -0.6678 -1.4117 H 1 UNL1111111111 0.3098 22 H1 3.5739 -1.5308 0.5379 H 1 UNL1111111111 0.2618 23 H2 4.7399 -0.5818 -0.1201 H 1 UNL1111111111 0.2633 24 H -3.9501 0.0264 -1.0960 H 1 UNL1111111111 0.1754 25 H -4.2281 0.4706 0.6242 H 1 UNL1111111111 0.1945 26 H 1.4263 2.5788 0.6074 H 1 UNL1111111111 0.3601 @BOND 1 1 13 1 2 2 11 1 3 2 26 1 4 3 11 2 5 4 12 2 6 5 10 1 7 5 12 am 8 5 21 1 9 6 9 1 10 6 22 1 11 6 23 1 12 7 8 1 13 7 9 1 14 7 14 1 15 7 15 1 16 8 10 1 17 8 16 1 18 8 17 1 19 9 11 1 20 9 18 1 21 10 19 1 22 10 20 1 23 12 13 1 24 13 24 1 25 13 25 1