@MOLECULE 2,3-di-o-methyl-alpha-l-idopyranuronic acid 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6677 -2.3148 -1.1458 O.3 1 UNL1111111111 -0.2708 2 C 0.6167 -1.6051 0.0661 C.3 1 UNL1111111111 -1.1631 3 C 1.5368 -0.3854 -0.1591 C.3 1 UNL1111111111 0.4853 4 O 2.6205 -0.5268 0.7462 O.3 1 UNL1111111111 -0.4715 5 C 3.6991 -1.2877 0.2329 C.3 1 UNL1111111111 -0.3538 6 C 0.9293 0.9826 0.2090 C.3 1 UNL1111111111 0.6164 7 O 1.3573 1.8286 -0.8485 O.3 1 UNL1111111111 -0.5465 8 C 1.6933 3.1408 -0.4372 C.3 1 UNL1111111111 -0.6310 9 O -0.7230 -1.3124 0.3640 O.3 1 UNL1111111111 0.1474 10 C -1.2382 -0.2111 -0.3640 C.3 1 UNL1111111111 -2.0476 11 C -2.7332 -0.2495 -0.1296 C.2 1 UNL1111111111 1.9720 12 O -3.3910 -0.9723 0.5611 O.2 1 UNL1111111111 -0.9764 13 O -3.3064 0.7149 -0.9005 O.3 1 UNL1111111111 -0.8507 14 C -0.6144 1.0561 0.2407 C.3 1 UNL1111111111 1.4779 15 O -1.0379 1.2163 1.5701 O.3 1 UNL1111111111 -0.9725 16 H -0.0334 -2.9969 -1.1961 H 1 UNL1111111111 0.3598 17 H 0.9186 -2.2596 0.9150 H 1 UNL1111111111 0.5220 18 H 1.8929 -0.3651 -1.2210 H 1 UNL1111111111 0.1268 19 H 4.1948 -0.7468 -0.5801 H 1 UNL1111111111 0.2161 20 H 3.3680 -2.2757 -0.1037 H 1 UNL1111111111 0.1527 21 H 4.3683 -1.3769 1.0983 H 1 UNL1111111111 0.1509 22 H 1.3379 1.3180 1.1947 H 1 UNL1111111111 -0.0405 23 H 1.9290 3.6403 -1.3858 H 1 UNL1111111111 0.2160 24 H 2.5726 3.1262 0.2151 H 1 UNL1111111111 0.2994 25 H 0.8484 3.6322 0.0560 H 1 UNL1111111111 0.1891 26 H -1.0063 -0.3133 -1.4527 H 1 UNL1111111111 0.5701 27 H -4.2847 0.7894 -0.7781 H 1 UNL1111111111 0.3978 28 H -0.9840 1.9817 -0.2655 H 1 UNL1111111111 -0.0904 29 H -0.9480 0.3710 2.0687 H 1 UNL1111111111 0.5149 @BOND 1 1 2 1 2 1 16 1 3 2 3 1 4 2 9 1 5 2 17 1 6 3 4 1 7 3 6 1 8 3 18 1 9 4 5 1 10 5 19 1 11 5 20 1 12 5 21 1 13 6 7 1 14 6 14 1 15 6 22 1 16 7 8 1 17 8 23 1 18 8 24 1 19 8 25 1 20 9 10 1 21 10 11 1 22 10 14 1 23 10 26 1 24 11 12 2 25 11 13 1 26 13 27 1 27 14 15 1 28 14 28 1 29 15 29 1