@MOLECULE (6r)-3-deoxy-6-[(1r)-1,2-dihydroxyethyl]-beta-l-erythro-hex-2-ulopyranosonic acid 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.8955 -1.8052 0.2048 C.2 1 UNL1111111111 2.1688 2 O -1.8595 -2.8910 -0.3028 O.2 1 UNL1111111111 -1.2120 3 O -2.5068 -1.5673 1.3829 O.3 1 UNL1111111111 -1.3108 4 C -1.3116 -0.5034 -0.3860 C.3 1 UNL1111111111 0.0343 5 O -1.5065 -0.5312 -1.7692 O.3 1 UNL1111111111 -0.7326 6 C -1.9556 0.7791 0.1216 C.3 1 UNL1111111111 0.0322 7 C -1.1594 1.9682 -0.4219 C.3 1 UNL1111111111 -0.0059 8 O -1.5679 3.1680 0.2085 O.3 1 UNL1111111111 -0.9416 9 C 0.3283 1.8258 -0.0298 C.3 1 UNL1111111111 0.5941 10 O 0.4701 1.8247 1.3746 O.3 1 UNL1111111111 -0.6564 11 C 0.8618 0.4717 -0.5269 C.3 1 UNL1111111111 0.2075 12 O 0.0513 -0.6130 -0.0830 O.3 1 UNL1111111111 -0.8543 13 C 2.2568 0.1652 0.0578 C.3 1 UNL1111111111 -0.7921 14 O 3.1485 0.6710 -0.9211 O.3 1 UNL1111111111 -0.3541 15 C 2.4838 -1.3423 0.2493 C.3 1 UNL1111111111 1.3185 16 O 3.8380 -1.5414 0.6034 O.3 1 UNL1111111111 -0.9843 17 H -2.8893 -2.3795 1.8063 H 1 UNL1111111111 0.6164 18 H -1.1385 -1.3506 -2.1785 H 1 UNL1111111111 0.5321 19 H -3.0188 0.8286 -0.1758 H 1 UNL1111111111 0.0828 20 H -1.9373 0.7883 1.2366 H 1 UNL1111111111 0.2784 21 H -1.2856 2.0858 -1.5214 H 1 UNL1111111111 0.1519 22 H -2.5252 3.3186 0.0914 H 1 UNL1111111111 0.4026 23 H 0.9381 2.6685 -0.4307 H 1 UNL1111111111 0.1098 24 H -0.0847 2.5425 1.7576 H 1 UNL1111111111 0.3448 25 H 0.8907 0.4476 -1.6432 H 1 UNL1111111111 0.1946 26 H 2.4511 0.7321 0.9971 H 1 UNL1111111111 0.3510 27 H 3.9947 0.1687 -0.8903 H 1 UNL1111111111 0.1880 28 H 2.3853 -1.9050 -0.6982 H 1 UNL1111111111 -0.0586 29 H 1.8117 -1.7789 1.0079 H 1 UNL1111111111 -0.0835 30 H 4.0058 -1.2499 1.5215 H 1 UNL1111111111 0.3784 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 3 17 1 5 4 5 1 6 4 6 1 7 4 12 1 8 5 18 1 9 6 7 1 10 6 19 1 11 6 20 1 12 7 8 1 13 7 9 1 14 7 21 1 15 8 22 1 16 9 10 1 17 9 11 1 18 9 23 1 19 10 24 1 20 11 12 1 21 11 13 1 22 11 25 1 23 13 14 1 24 13 15 1 25 13 26 1 26 14 27 1 27 15 16 1 28 15 28 1 29 15 29 1 30 16 30 1