@MOLECULE n~2~-(bromoacetyl)arginine 31 30 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -2.0027 -2.2457 -0.2916 Br 0 UNK0 -0.0497 2 O -0.9664 2.9086 -1.7434 O.3 1 ARG1 -0.5631 3 OXT 0.1765 4.1558 -0.2943 O.2 1 ARG1 -0.4873 4 O -2.7579 0.6775 1.8129 O.2 0 UNK0 -0.5127 5 N -1.6207 1.0206 -0.1110 N.am 1 ARG1 -0.5830 6 NE 3.4761 -0.2949 -0.3096 N.pl3 1 ARG1 -0.5719 7 NH1 5.1835 -1.6584 -1.1311 N.pl3 1 ARG1 -0.6253 8 NH2 5.2629 -1.0563 1.1610 N.pl3 1 ARG1 -0.6738 9 CB 0.4991 1.5262 1.0988 C.3 1 ARG1 -0.3033 10 CA -0.8115 2.0758 0.4948 C.3 1 ARG1 0.0292 11 CG 1.3800 0.8246 0.0663 C.3 1 ARG1 -0.2682 12 CD 2.6841 0.3365 0.7327 C.3 1 ARG1 -0.0731 13 C -0.4630 3.1624 -0.5094 C.2 1 ARG1 0.6075 14 C -2.5389 0.3491 0.6658 C.2 0 UNK0 0.5826 15 C -3.2599 -0.7905 -0.0086 C.3 0 UNK0 -0.3546 16 CZ 4.5633 -0.9534 -0.0639 C.cat 1 ARG1 0.5107 17 HB1 1.0543 2.3617 1.5739 H 1 ARG1 0.1644 18 HB2 0.2394 0.8245 1.9194 H 1 ARG1 0.1657 19 HA -1.4141 2.5638 1.3260 H 1 ARG1 0.2006 20 HG1 1.6310 1.4979 -0.7764 H 1 ARG1 0.1573 21 HG2 0.8594 -0.0400 -0.3889 H 1 ARG1 0.1554 22 HD1 2.4420 -0.3619 1.5644 H 1 ARG1 0.1191 23 HD2 3.2305 1.2027 1.1732 H 1 ARG1 0.1355 24 H -1.3828 0.7421 -1.0520 H 1 ARG1 0.3328 25 H -3.6943 -0.5155 -0.9825 H 0 UNK0 0.1832 26 H -4.0747 -1.1686 0.6382 H 0 UNK0 0.1973 27 H -0.7488 3.6087 -2.4094 H 1 ARG1 0.3612 28 HH21 4.7311 -0.8908 1.9961 H 1 ARG1 0.2896 29 HH11 4.7020 -1.5543 -2.0166 H 1 ARG1 0.2980 30 HH12 6.1744 -1.5023 -1.2274 H 1 ARG1 0.2822 31 HH22 5.9121 -1.8175 1.2602 H 1 ARG1 0.2937 @BOND 1 27 2 1 2 29 7 1 3 2 13 1 4 30 7 1 5 7 16 1 6 24 5 1 7 25 15 1 8 20 11 1 9 13 3 2 10 13 10 1 11 21 11 1 12 6 16 2 13 6 12 1 14 1 15 1 15 5 10 1 16 5 14 am 17 16 8 1 18 15 26 1 19 15 14 1 20 11 12 1 21 11 9 1 22 10 9 1 23 10 19 1 24 14 4 2 25 12 23 1 26 12 22 1 27 9 17 1 28 9 18 1 29 8 31 1 30 8 28 1