@MOLECULE l-threo-hexo-2,3-diulosonic acid 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6989 0.5589 1.2394 O.3 1 UNL1111111111 -0.5634 2 O -1.3409 1.5716 -1.3512 O.3 1 UNL1111111111 -0.4989 3 O -3.4642 -1.4517 0.4633 O.3 1 UNL1111111111 -0.5421 4 O 0.9191 2.3164 -0.0972 O.2 1 UNL1111111111 -0.3044 5 O 1.8624 0.2318 1.7721 O.2 1 UNL1111111111 -0.2521 6 O 3.3442 -0.9213 -0.4976 O.3 1 UNL1111111111 -0.4983 7 O 1.3168 -1.8601 -0.7029 O.2 1 UNL1111111111 -0.4940 8 C -1.3891 -0.3072 0.1680 C.3 1 UNL1111111111 0.0558 9 C -0.5568 0.5531 -0.8034 C.3 1 UNL1111111111 0.0266 10 C -2.6763 -0.8007 -0.5096 C.3 1 UNL1111111111 -0.0504 11 C 0.6528 1.1512 -0.0973 C.2 1 UNL1111111111 0.3252 12 C 1.5644 0.1588 0.6196 C.2 1 UNL1111111111 0.2670 13 C 2.0286 -1.0005 -0.2550 C.2 1 UNL1111111111 0.5352 14 H -0.7968 -1.1550 0.5834 H 1 UNL1111111111 0.1432 15 H -0.2363 -0.0384 -1.6993 H 1 UNL1111111111 0.1819 16 H -2.4792 -1.4645 -1.3668 H 1 UNL1111111111 0.1327 17 H -3.3193 0.0417 -0.8381 H 1 UNL1111111111 0.1696 18 H -2.5389 0.2726 1.6718 H 1 UNL1111111111 0.3496 19 H -1.6504 2.1827 -0.6341 H 1 UNL1111111111 0.3398 20 H -3.0863 -2.3251 0.6939 H 1 UNL1111111111 0.3173 21 H 3.6965 -1.6641 -1.0606 H 1 UNL1111111111 0.3596 @BOND 1 1 8 1 2 1 18 1 3 2 9 1 4 2 19 1 5 3 10 1 6 3 20 1 7 4 11 2 8 5 12 2 9 6 13 1 10 6 21 1 11 7 13 2 12 8 9 1 13 8 10 1 14 8 14 1 15 9 11 1 16 9 15 1 17 10 16 1 18 10 17 1 19 11 12 1 20 12 13 1