@MOLECULE 5-amino-3-oxohexanoic acid 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1874 -2.0327 0.3609 O.2 1 UNL111111111 -0.4326 2 O 3.3530 0.3372 -0.6839 O.3 1 UNL111111111 -0.5584 3 O 2.0762 0.8435 1.0730 O.2 1 UNL111111111 -0.4982 4 N -2.6212 1.7670 -0.1980 N.3 1 UNL111111111 -0.6580 5 C -2.0906 0.3987 -0.3724 C.3 1 UNL111111111 0.1096 6 C -0.9066 0.2213 0.6061 C.3 1 UNL111111111 -0.4133 7 C -0.0034 -0.8706 0.1133 C.2 1 UNL111111111 0.5042 8 C -3.1457 -0.6934 -0.1389 C.3 1 UNL111111111 -0.5132 9 C 1.1632 -0.4579 -0.7715 C.3 1 UNL111111111 -0.4757 10 C 2.1829 0.3028 0.0051 C.2 1 UNL111111111 0.6638 11 H -1.7170 0.3342 -1.4292 H 1 UNL111111111 0.1340 12 H -0.3584 1.1847 0.7168 H 1 UNL111111111 0.1999 13 H -1.2738 -0.0172 1.6253 H 1 UNL111111111 0.1805 14 H -3.9323 -0.6657 -0.8983 H 1 UNL111111111 0.1470 15 H -2.6916 -1.6944 -0.1730 H 1 UNL111111111 0.1740 16 H -3.6236 -0.5996 0.8415 H 1 UNL111111111 0.1528 17 H 1.6254 -1.3603 -1.2417 H 1 UNL111111111 0.2140 18 H 0.7999 0.1560 -1.6271 H 1 UNL111111111 0.2059 19 H -2.9442 1.9364 0.7404 H 1 UNL111111111 0.2522 20 H -3.3709 1.9659 -0.8395 H 1 UNL111111111 0.2522 21 H 4.0748 0.8272 -0.2156 H 1 UNL111111111 0.3592 @BOND 1 1 7 2 2 2 10 1 3 2 21 1 4 3 10 2 5 4 5 1 6 4 19 1 7 4 20 1 8 5 6 1 9 5 8 1 10 5 11 1 11 6 7 1 12 6 12 1 13 6 13 1 14 7 9 1 15 8 14 1 16 8 15 1 17 8 16 1 18 9 10 1 19 9 17 1 20 9 18 1