@MOLECULE n~2~-(bromoacetyl)-n~5~-(diaminomethylene)-d-ornithine 31 30 0 0 0 SMALL GASTEIGER @ATOM 1 BR -1.5539 2.3980 -0.4823 Br 0 UNK0 -0.0471 2 O -1.5899 -3.1247 -1.3315 O.3 1 ARG1 -0.5697 3 OXT -0.6372 -4.3891 0.2344 O.2 1 ARG1 -0.4939 4 O -2.0058 -0.0509 2.1398 O.2 0 UNK0 -0.5047 5 N -1.6335 -0.9287 0.0850 N.am 1 ARG1 -0.5842 6 NE 2.9211 0.2047 0.0530 N.pl3 1 ARG1 -0.5716 7 NH1 4.0777 2.0468 0.8919 N.pl3 1 ARG1 -0.6240 8 NH2 5.3403 0.3535 -0.1911 N.pl3 1 ARG1 -0.6741 9 CB 0.7059 -1.6334 0.5934 C.3 1 ARG1 -0.2969 10 CA -0.7913 -1.9922 0.6273 C.3 1 ARG1 0.0279 11 CG 1.2262 -1.2894 -0.8040 C.3 1 ARG1 -0.2597 12 CD 2.7426 -0.9894 -0.7523 C.3 1 ARG1 -0.0742 13 C -0.9872 -3.2983 -0.1260 C.2 1 ARG1 0.6106 14 C -2.1281 0.0384 0.9367 C.2 0 UNK0 0.5844 15 C -2.8633 1.1749 0.2752 C.3 0 UNK0 -0.3561 16 CZ 4.0598 0.7979 0.2111 C.cat 1 ARG1 0.5110 17 HB1 0.8830 -0.7581 1.2663 H 1 ARG1 0.1909 18 HB2 1.2953 -2.4630 1.0349 H 1 ARG1 0.1605 19 HA -1.0917 -2.1781 1.7079 H 1 ARG1 0.2031 20 HG1 0.7004 -0.3984 -1.1986 H 1 ARG1 0.1543 21 HG2 1.0340 -2.1153 -1.5167 H 1 ARG1 0.1352 22 HD1 3.1225 -0.8590 -1.7906 H 1 ARG1 0.1178 23 HD2 3.2831 -1.8585 -0.3112 H 1 ARG1 0.1347 24 H -1.6589 -0.8339 -0.9196 H 1 ARG1 0.3277 25 H -3.4600 1.7378 1.0172 H 0 UNK0 0.1960 26 H -3.5397 0.8549 -0.5346 H 0 UNK0 0.1797 27 H -1.7332 -3.9700 -1.8229 H 1 ARG1 0.3592 28 HH11 3.1554 2.3505 1.1897 H 1 ARG1 0.2999 29 HH12 4.7462 2.1151 1.6410 H 1 ARG1 0.2814 30 HH21 6.0778 1.0361 -0.2259 H 1 ARG1 0.2932 31 HH22 5.3780 -0.2858 -0.9643 H 1 ARG1 0.2888 @BOND 1 1 15 1 2 2 13 1 3 2 27 1 4 3 13 2 5 4 14 2 6 5 10 1 7 5 14 am 8 5 24 1 9 6 12 1 10 6 16 2 11 7 16 1 12 7 28 1 13 7 29 1 14 8 16 1 15 8 30 1 16 8 31 1 17 9 10 1 18 9 11 1 19 9 17 1 20 9 18 1 21 10 13 1 22 10 19 1 23 11 12 1 24 11 20 1 25 11 21 1 26 12 22 1 27 12 23 1 28 14 15 1 29 15 25 1 30 15 26 1