@MOLECULE 2-{3-[(2s)-3,6-dioxo-2-piperazinyl]propyl}guanidine 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9185 2.3053 -0.7952 O.2 1 ARG1111111111 -0.5167 2 O -2.4119 -2.6048 0.8410 O.2 2 GLY2222222222 -0.5158 3 N -1.9745 -0.4294 1.2076 N.am 1 ARG1111111111 -0.5899 4 N -2.8218 0.1467 -1.4010 N.am 2 GLY2222222222 -0.5840 5 NE 2.6002 -0.1246 0.0025 N.pl3 1 ARG1111111111 -0.5678 6 NH1 4.1317 -1.3071 -1.3106 N.pl3 1 ARG1111111111 -0.6211 7 NH2 4.9475 0.5298 -0.0582 N.pl3 1 ARG1111111111 -0.6728 8 CA -1.6312 0.8829 0.6636 C.3 1 ARG1111111111 0.0120 9 CB -0.1525 0.9878 0.2411 C.3 1 ARG1111111111 -0.2980 10 CG 0.7758 0.6699 1.4161 C.3 1 ARG1111111111 -0.2551 11 C -2.5124 1.1890 -0.5560 C.2 1 ARG1111111111 0.5529 12 CA -2.3905 -1.2173 -1.1154 C.3 2 GLY2222222222 -0.1495 13 CD 2.2571 0.8484 1.0287 C.3 1 ARG1111111111 -0.0819 14 C -2.2559 -1.4939 0.3809 C.2 2 GLY2222222222 0.5655 15 CZ 3.8260 -0.2692 -0.3952 C.cat 1 ARG1111111111 0.5075 16 HA -1.8490 1.6635 1.4482 H 1 ARG1111111111 0.1742 17 HB1 0.0737 0.2967 -0.5978 H 1 ARG1111111111 0.1720 18 HB2 0.0482 2.0044 -0.1508 H 1 ARG1111111111 0.1599 19 HG1 0.5509 1.3161 2.2848 H 1 ARG1111111111 0.1333 20 HG2 0.6187 -0.3775 1.7437 H 1 ARG1111111111 0.1571 21 H -1.8141 -0.5912 2.1929 H 1 ARG1111111111 0.3267 22 HA1 -1.4031 -1.4227 -1.6036 H 2 GLY2222222222 0.1726 23 HA2 -3.1167 -1.9529 -1.5416 H 2 GLY2222222222 0.1773 24 HD1 2.4263 1.8844 0.6557 H 1 ARG1111111111 0.1338 25 HD2 2.8820 0.7252 1.9430 H 1 ARG1111111111 0.1165 26 H -3.4324 0.3030 -2.1896 H 2 GLY2222222222 0.3274 27 HH11 3.3176 -1.7939 -1.6657 H 1 ARG1111111111 0.3001 28 HH12 4.7759 -1.0629 -2.0441 H 1 ARG1111111111 0.2850 29 HH21 5.8504 0.0930 -0.1214 H 1 ARG1111111111 0.2918 30 HH22 4.8642 1.0928 0.7694 H 1 ARG1111111111 0.2871 @BOND 1 1 11 2 2 2 14 2 3 3 8 1 4 3 14 am 5 3 21 1 6 4 11 am 7 4 12 1 8 4 26 1 9 5 13 1 10 5 15 2 11 6 15 1 12 6 27 1 13 6 28 1 14 7 15 1 15 7 29 1 16 7 30 1 17 8 9 1 18 8 11 1 19 8 16 1 20 9 10 1 21 9 17 1 22 9 18 1 23 10 13 1 24 10 19 1 25 10 20 1 26 12 14 1 27 12 22 1 28 12 23 1 29 13 24 1 30 13 25 1