@MOLECULE 5-amino-6-hydroxy-4-oxohexanoic acid 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6201 1.1286 0.2871 O.3 1 UNL1111111111 -0.5393 2 O -0.9547 1.4001 -0.0353 O.2 1 UNL1111111111 -0.4931 3 O 3.9594 0.8999 -0.2516 O.3 1 UNL1111111111 -0.5681 4 O 3.2834 -1.1486 0.3011 O.2 1 UNL1111111111 -0.5098 5 N -1.7356 -2.0430 -0.2253 N.3 1 UNL1111111111 -0.6402 6 CA -2.0307 -0.6942 0.2738 C.3 1 UNL1111111111 -0.1171 7 C 0.5495 -0.4306 0.0554 C.3 1 UNL1111111111 -0.3523 8 C -0.8062 0.2044 0.0680 C.2 1 UNL1111111111 0.4856 9 C 1.6454 0.6232 -0.0585 C.3 1 UNL1111111111 -0.3325 10 C -3.2746 -0.0517 -0.3907 C.3 1 UNL1111111111 -0.0335 11 C 2.9919 -0.0142 0.0288 C.2 1 UNL1111111111 0.6451 12 HA -2.2092 -0.7403 1.3858 H 1 UNL1111111111 0.1820 13 H 0.6879 -1.0623 0.9642 H 1 UNL1111111111 0.1981 14 H 0.6186 -1.1754 -0.7720 H 1 UNL1111111111 0.1975 15 H 1.5380 1.3990 0.7366 H 1 UNL1111111111 0.1968 16 H 1.5452 1.2038 -1.0051 H 1 UNL1111111111 0.1949 17 H1 -4.1714 -0.6889 -0.2825 H 1 UNL1111111111 0.1423 18 H2 -3.1028 0.1697 -1.4587 H 1 UNL1111111111 0.1231 19 H1 -1.8571 -2.1234 -1.2222 H 1 UNL1111111111 0.2566 20 H2 -2.2853 -2.7514 0.2334 H 1 UNL1111111111 0.2635 21 H -2.8569 1.7590 0.2506 H 1 UNL1111111111 0.3438 22 H 4.8769 0.5362 -0.2038 H 1 UNL1111111111 0.3566 @BOND 1 1 10 1 2 1 21 1 3 2 8 2 4 3 11 1 5 3 22 1 6 4 11 2 7 5 6 1 8 5 19 1 9 5 20 1 10 6 8 1 11 6 10 1 12 6 12 1 13 7 8 1 14 7 9 1 15 7 13 1 16 7 14 1 17 9 11 1 18 9 15 1 19 9 16 1 20 10 17 1 21 10 18 1