@MOLECULE g-guanidinobutyrate 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4561 -1.2268 0.5439 O.3 1 UNL11 -0.5757 2 O -3.4542 0.6149 -0.7032 O.2 1 UNL11 -0.5188 3 N 1.4682 -0.0924 -0.1420 N.pl3 1 UNL11 -0.5759 4 N 3.3210 -1.4378 -0.5786 N.pl3 1 UNL11 -0.6263 5 N 3.7016 0.6235 0.5259 N.pl3 1 UNL11 -0.6762 6 C -0.6713 1.0330 -0.2891 C.3 1 UNL11 -0.2441 7 C -1.4154 -0.0843 0.4447 C.3 1 UNL11 -0.3393 8 C 0.7862 1.1430 0.2064 C.3 1 UNL11 -0.0766 9 C -2.8386 -0.1373 0.0056 C.2 1 UNL11 0.6527 10 C 2.7510 -0.2459 -0.0570 C.cat 1 UNL11 0.5139 11 H -1.1894 2.0016 -0.1526 H 1 UNL11 0.1491 12 H -0.6770 0.8339 -1.3814 H 1 UNL11 0.1638 13 H 0.8020 1.3028 1.3092 H 1 UNL11 0.1331 14 H 1.2597 2.0367 -0.2587 H 1 UNL11 0.1184 15 H -1.3582 0.0453 1.5462 H 1 UNL11 0.1780 16 H -0.9098 -1.0625 0.2524 H 1 UNL11 0.2044 17 H 2.6363 -2.0843 -0.9541 H 1 UNL11 0.2998 18 H 3.9794 -1.9020 0.0258 H 1 UNL11 0.2829 19 H 4.6622 0.5092 0.2524 H 1 UNL11 0.2947 20 H 3.4370 1.5872 0.6116 H 1 UNL11 0.2895 21 H -4.4026 -1.3157 0.2821 H 1 UNL11 0.3526 @BOND 1 1 9 1 2 1 21 1 3 2 9 2 4 3 8 1 5 3 10 2 6 4 10 1 7 4 17 1 8 4 18 1 9 5 10 1 10 5 19 1 11 5 20 1 12 6 7 1 13 6 8 1 14 6 11 1 15 6 12 1 16 7 9 1 17 7 15 1 18 7 16 1 19 8 13 1 20 8 14 1