@MOLECULE 1-[3-(2-oxoethyl)benzyl]guanidine 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.2572 -0.9614 0.3560 C.ar 1 UNL111111111 -0.0179 2 C 0.7968 -0.1217 0.7148 C.ar 1 UNL111111111 -0.1848 3 C 1.2936 -2.4370 -0.7568 C.ar 1 UNL111111111 -0.1343 4 N -2.2877 0.1455 -0.3590 N.pl3 1 UNL111111111 -0.5365 5 C 3.4469 1.4845 -0.4138 C.2 1 UNL111111111 0.3599 6 N -4.1802 0.3947 1.0272 N.pl3 1 UNL111111111 -0.6900 7 N -4.0811 1.4708 -1.1361 N.pl3 1 UNL111111111 -0.6960 8 C 2.3493 -1.6010 -0.3999 C.ar 1 UNL111111111 -0.1784 9 C 3.2242 0.4781 0.6935 C.3 1 UNL111111111 -0.4143 10 O 3.7230 2.6311 -0.1714 O.2 1 UNL111111111 -0.4301 11 C 2.1016 -0.4389 0.3339 C.ar 1 UNL111111111 0.0140 12 C -0.0103 -2.1181 -0.3842 C.ar 1 UNL111111111 -0.1475 13 C -1.6634 -0.6094 0.7557 C.3 1 UNL111111111 -0.0907 14 C -3.5757 0.6641 -0.0835 C.cat 1 UNL111111111 0.5444 15 H 0.6022 0.7811 1.2925 H 1 UNL111111111 0.1627 16 H 1.4882 -3.3416 -1.3302 H 1 UNL111111111 0.1494 17 H -1.6450 0.7993 -0.8035 H 1 UNL111111111 0.2948 18 H 3.3494 1.1246 -1.4448 H 1 UNL111111111 0.1148 19 H -5.1291 0.6686 1.1878 H 1 UNL111111111 0.2828 20 H -3.6714 1.3731 -2.0471 H 1 UNL111111111 0.2929 21 H -5.0751 1.5988 -1.1699 H 1 UNL111111111 0.2903 22 H 3.3648 -1.8568 -0.6934 H 1 UNL111111111 0.1522 23 H 4.1691 -0.0799 0.8724 H 1 UNL111111111 0.1808 24 H 3.0323 1.0026 1.6563 H 1 UNL111111111 0.1878 25 H -0.8374 -2.7653 -0.6737 H 1 UNL111111111 0.1610 26 H -2.2840 -1.5205 0.9407 H 1 UNL111111111 0.1730 27 H -1.6925 -0.0376 1.7145 H 1 UNL111111111 0.1598 @BOND 1 1 13 1 2 2 1 ar 3 2 15 1 4 3 12 ar 5 3 16 1 6 4 14 1 7 4 17 1 8 5 18 1 9 6 19 1 10 7 20 1 11 7 21 1 12 8 3 ar 13 8 11 ar 14 8 22 1 15 9 11 1 16 9 5 1 17 9 23 1 18 9 24 1 19 10 5 2 20 11 2 ar 21 12 1 ar 22 12 25 1 23 13 4 1 24 13 26 1 25 13 27 1 26 14 6 2 27 14 7 1