@MOLECULE d-threo-hexo-2,5-diulosonic acid 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2185 1.3062 -0.8159 O.3 1 UNL1111111111 -0.5431 2 O 0.5733 -1.7492 0.0248 O.3 1 UNL1111111111 -0.5452 3 O 2.3131 0.6622 -1.3063 O.2 1 UNL1111111111 -0.4376 4 O 4.2122 0.1402 0.5755 O.3 1 UNL1111111111 -0.5109 5 O -1.8709 -1.4380 -1.0680 O.2 1 UNL1111111111 -0.3319 6 O -3.4648 0.7230 -0.4380 O.3 1 UNL1111111111 -0.4793 7 O -2.6200 0.5491 1.6330 O.2 1 UNL1111111111 -0.4840 8 C 0.4898 0.6504 0.2031 C.3 1 UNL1111111111 -0.0012 9 C -0.2210 -0.6919 0.4907 C.3 1 UNL1111111111 0.0239 10 C 1.9440 0.4013 -0.1884 C.2 1 UNL1111111111 0.4037 11 C -1.5942 -0.7012 -0.1665 C.2 1 UNL1111111111 0.3661 12 C 2.8711 -0.1791 0.8494 C.3 1 UNL1111111111 -0.1014 13 C -2.5961 0.2534 0.4673 C.2 1 UNL1111111111 0.5456 14 H 0.4141 1.3465 1.0748 H 1 UNL1111111111 0.1778 15 H -0.3049 -0.8863 1.5913 H 1 UNL1111111111 0.1866 16 H 2.7064 0.2316 1.8648 H 1 UNL1111111111 0.1653 17 H 2.7619 -1.2878 0.8854 H 1 UNL1111111111 0.1737 18 H 0.2809 1.2867 -1.6730 H 1 UNL1111111111 0.3547 19 H 0.2928 -2.0486 -0.8757 H 1 UNL1111111111 0.3505 20 H 4.3865 0.0904 -0.3951 H 1 UNL1111111111 0.3312 21 H -4.1136 1.3790 -0.0603 H 1 UNL1111111111 0.3553 @BOND 1 1 8 1 2 1 18 1 3 2 9 1 4 2 19 1 5 3 10 2 6 4 12 1 7 4 20 1 8 5 11 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 12 1 18 11 13 1 19 12 16 1 20 12 17 1