@MOLECULE n-pyruvoylglycine 17 16 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8127 -1.0263 -0.8788 O.3 1 UNL1111111111 -0.5490 2 O 0.7801 1.5987 -0.2836 O.2 1 UNL1111111111 -0.4965 3 O 2.2767 -1.4597 0.3564 O.2 1 UNL1111111111 -0.4146 4 O -3.5246 0.2454 -0.2173 O.2 1 UNL1111111111 -0.4902 5 N -0.0796 -0.1696 0.8559 N.am 1 UNL1111111111 -0.5297 6 C -1.4000 0.4337 0.9475 C.3 1 UNL1111111111 -0.1424 7 C 0.9060 0.4715 0.1427 C.2 1 UNL1111111111 0.4633 8 C 2.2207 -0.3153 -0.0077 C.2 1 UNL1111111111 0.4245 9 C -2.3777 -0.0861 -0.0854 C.2 1 UNL1111111111 0.6058 10 C 3.3357 0.4430 -0.6228 C.3 1 UNL1111111111 -0.5290 11 H -1.3253 1.5524 0.8276 H 1 UNL1111111111 0.2103 12 H -1.8239 0.2573 1.9689 H 1 UNL1111111111 0.1818 13 H -0.0060 -1.1614 1.0588 H 1 UNL1111111111 0.3339 14 H 4.2641 -0.1459 -0.6697 H 1 UNL1111111111 0.1832 15 H 3.5473 1.3739 -0.0693 H 1 UNL1111111111 0.1922 16 H 3.0827 0.7606 -1.6502 H 1 UNL1111111111 0.1956 17 H -2.4239 -1.3723 -1.5785 H 1 UNL1111111111 0.3609 @BOND 1 1 9 1 2 1 17 1 3 2 7 2 4 3 8 2 5 4 9 2 6 5 6 1 7 5 7 am 8 5 13 1 9 6 9 1 10 6 11 1 11 6 12 1 12 7 8 1 13 8 10 1 14 10 14 1 15 10 15 1 16 10 16 1