@MOLECULE methyl beta-d-galactopyranuronate 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.1233 1.4656 0.3314 C.3 1 UNL1111111111 -0.0844 2 C -1.8940 0.3084 -0.3478 C.3 1 UNL1111111111 -0.0751 3 C -1.6739 -0.9981 0.4260 C.3 1 UNL1111111111 -0.2896 4 O 0.3090 -1.5113 -0.8643 O.3 1 UNL1111111111 -0.3276 5 C 0.6196 -0.1117 1.0100 C.3 1 UNL1111111111 0.0572 6 C 1.7834 0.2314 0.0842 C.2 1 UNL1111111111 0.1895 7 O 1.8226 1.0510 -0.8005 O.2 1 UNL1111111111 -0.2698 8 O 2.8488 -0.5200 0.4344 O.3 1 UNL1111111111 -0.0837 9 C 4.0145 -0.3705 -0.3753 C.3 1 UNL1111111111 -0.6708 10 O -0.1710 1.0129 1.2699 O.3 1 UNL1111111111 -0.2508 11 C -0.1658 -1.3161 0.4505 C.3 1 UNL1111111111 -0.3530 12 O -2.2532 -2.0831 -0.2705 O.3 1 UNL1111111111 -0.3561 13 O -3.2824 0.5537 -0.2444 O.3 1 UNL1111111111 -0.4199 14 O -0.5562 2.2744 -0.6357 O.3 1 UNL1111111111 -0.4426 15 H -1.7645 2.1329 0.9561 H 1 UNL1111111111 0.2771 16 H -1.6175 0.2075 -1.4220 H 1 UNL1111111111 0.1536 17 H -2.1197 -0.9573 1.4445 H 1 UNL1111111111 0.2928 18 H -0.3188 -2.0888 -1.3626 H 1 UNL1111111111 0.3574 19 H 1.0080 -0.3314 2.0423 H 1 UNL1111111111 0.2448 20 H 4.7441 -1.0144 0.1291 H 1 UNL1111111111 0.2605 21 H 3.8059 -0.7212 -1.3924 H 1 UNL1111111111 0.2594 22 H 4.3405 0.6752 -0.3883 H 1 UNL1111111111 0.2474 23 H 0.0446 -2.2487 1.0223 H 1 UNL1111111111 0.2735 24 H -3.1767 -1.8516 -0.5252 H 1 UNL1111111111 0.3189 25 H -3.5339 1.3311 -0.7884 H 1 UNL1111111111 0.3386 26 H 0.3472 1.9502 -0.8960 H 1 UNL1111111111 0.3525 @BOND 1 1 2 1 2 1 10 1 3 1 14 1 4 1 15 1 5 2 3 1 6 2 13 1 7 2 16 1 8 3 11 1 9 3 12 1 10 3 17 1 11 4 11 1 12 4 18 1 13 5 6 1 14 5 10 1 15 5 11 1 16 5 19 1 17 6 7 2 18 6 8 1 19 8 9 1 20 9 20 1 21 9 21 1 22 9 22 1 23 11 23 1 24 12 24 1 25 13 25 1 26 14 26 1