@MOLECULE alpha-l-gulopyranuronic acid 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.1128 1.2614 0.3890 C.3 1 UNL1111111111111 -0.1892 2 C -1.7341 -0.0987 0.7717 C.3 1 UNL1111111111111 -0.4507 3 O -3.1328 -0.1163 0.6260 O.3 1 UNL1111111111111 -0.4023 4 C -1.1953 -1.2114 -0.1446 C.3 1 UNL1111111111111 0.4090 5 O -1.5162 -1.0317 -1.4962 O.3 1 UNL1111111111111 -0.5329 6 C 0.3527 -1.2032 -0.0490 C.3 1 UNL1111111111111 -0.5836 7 O 0.6167 -1.5354 1.2937 O.3 1 UNL1111111111111 -0.3646 8 C 0.8778 0.1985 -0.4137 C.3 1 UNL1111111111111 0.3531 9 O 0.2857 1.2346 0.3536 O.3 1 UNL1111111111111 -0.2268 10 C 2.3544 0.3251 -0.0955 C.2 1 UNL1111111111111 0.0467 11 O 3.0330 -0.5386 -0.9011 O.3 1 UNL1111111111111 -0.4310 12 O 2.9275 1.0069 0.7026 O.2 1 UNL1111111111111 -0.2119 13 O -1.6319 1.5934 -0.8768 O.3 1 UNL1111111111111 -0.4789 14 H -1.3110 2.0938 1.1029 H 1 UNL1111111111111 0.2905 15 H -1.5058 -0.3320 1.8424 H 1 UNL1111111111111 0.3439 16 H -3.5160 0.7836 0.7025 H 1 UNL1111111111111 0.3657 17 H -1.6220 -2.2063 0.1222 H 1 UNL1111111111111 0.1968 18 H -1.8120 -0.1037 -1.6569 H 1 UNL1111111111111 0.3875 19 H 0.8000 -1.9739 -0.7178 H 1 UNL1111111111111 0.2907 20 H 1.5771 -1.5031 1.4825 H 1 UNL1111111111111 0.3625 21 H 0.6898 0.4051 -1.4981 H 1 UNL1111111111111 0.1301 22 H 4.0151 -0.5071 -0.7888 H 1 UNL1111111111111 0.3638 23 H -1.1046 2.2933 -1.3156 H 1 UNL1111111111111 0.3318 @BOND 1 1 2 1 2 1 9 1 3 1 13 1 4 1 14 1 5 2 3 1 6 2 4 1 7 2 15 1 8 3 16 1 9 4 5 1 10 4 6 1 11 4 17 1 12 5 18 1 13 6 7 1 14 6 8 1 15 6 19 1 16 7 20 1 17 8 9 1 18 8 10 1 19 8 21 1 20 10 11 1 21 10 12 2 22 11 22 1 23 13 23 1