@MOLECULE pyruvoyl n-carbamimidoyl-n-methylglycinate 25 24 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1254 -0.0360 0.3629 O.3 1 UNL1111111111 -0.1775 2 O 0.2276 1.5843 -0.4374 O.2 1 UNL1111111111 -0.3053 3 O -2.4798 1.7517 0.0077 O.2 1 UNL1111111111 -0.2210 4 O -3.9108 -0.9516 0.9636 O.2 1 UNL1111111111 -0.1667 5 N 2.1022 -0.6614 -0.1099 N.pl3 1 UNL1111111111 -0.1944 6 N 3.2072 1.4470 -0.1120 N.pl3 1 UNL1111111111 -1.0158 7 N 4.4660 -0.6102 -0.0636 N.pl3 1 UNL1111111111 -0.7617 8 C 1.1434 -0.2408 0.9251 C.3 1 UNL1111111111 -0.2309 9 C 2.2273 -2.1274 -0.2184 C.3 1 UNL1111111111 -0.7753 10 C 3.3522 0.0427 -0.0926 C.cat 1 UNL1111111111 0.5587 11 C 0.0914 0.5855 0.2007 C.2 1 UNL1111111111 0.2837 12 C -2.3213 0.5767 0.0981 C.2 1 UNL1111111111 0.1206 13 C -3.3706 -0.5334 -0.0189 C.2 1 UNL1111111111 0.3490 14 C -3.6203 -0.9730 -1.4152 C.3 1 UNL1111111111 -0.8284 15 H 1.6000 0.3865 1.7304 H 1 UNL1111111111 0.2396 16 H 0.6769 -1.1121 1.4440 H 1 UNL1111111111 0.2148 17 H 2.6883 -2.5991 0.6655 H 1 UNL1111111111 0.2947 18 H 2.8746 -2.3678 -1.0851 H 1 UNL1111111111 0.2733 19 H 1.2326 -2.5620 -0.4034 H 1 UNL1111111111 0.2970 20 H 3.9587 1.9781 -0.5108 H 1 UNL1111111111 0.4162 21 H 2.2933 1.8149 -0.3358 H 1 UNL1111111111 0.4292 22 H 5.3493 -0.1484 -0.1639 H 1 UNL1111111111 0.3903 23 H -2.7321 -1.4659 -1.8461 H 1 UNL1111111111 0.2883 24 H -3.8745 -0.1294 -2.0789 H 1 UNL1111111111 0.2735 25 H -4.4520 -1.6951 -1.4732 H 1 UNL1111111111 0.2482 @BOND 1 1 11 1 2 1 12 1 3 2 11 2 4 3 12 2 5 4 13 2 6 5 8 1 7 5 9 1 8 5 10 1 9 6 10 1 10 6 20 1 11 6 21 1 12 7 10 2 13 7 22 1 14 8 11 1 15 8 15 1 16 8 16 1 17 9 17 1 18 9 18 1 19 9 19 1 20 12 13 1 21 13 14 1 22 14 23 1 23 14 24 1 24 14 25 1