@MOLECULE alpha-d-glucopyranuronic acid 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.3032 -1.3991 -0.3774 O.3 1 UNL111111111111 -0.4228 2 O 1.9015 2.0422 -0.5268 O.3 1 UNL111111111111 -0.5667 3 O -0.7323 2.0975 0.6044 O.3 1 UNL111111111111 -0.5618 4 O 3.1856 -0.4975 -0.2153 O.3 1 UNL111111111111 -0.5245 5 O 1.2294 -1.5949 1.3185 O.3 1 UNL111111111111 -0.5498 6 O -3.0283 0.6624 0.4662 O.3 1 UNL111111111111 -0.6155 7 O -2.9452 -1.0930 -0.9078 O.2 1 UNL111111111111 -0.4258 8 C 1.2536 0.9596 0.1076 C.3 1 UNL111111111111 0.0806 9 C -0.2624 1.0237 -0.1740 C.3 1 UNL111111111111 0.0638 10 C 1.8389 -0.2950 -0.5634 C.3 1 UNL111111111111 0.0625 11 C -0.9197 -0.3036 0.2708 C.3 1 UNL111111111111 -0.0117 12 C 1.0722 -1.5412 -0.0657 C.3 1 UNL111111111111 0.3252 13 C -2.3667 -0.3590 -0.1654 C.2 1 UNL111111111111 0.6100 14 H 1.4766 0.9982 1.1983 H 1 UNL111111111111 0.1648 15 H -0.4644 1.2534 -1.2443 H 1 UNL111111111111 0.1509 16 H 1.7845 -0.2199 -1.6760 H 1 UNL111111111111 0.1534 17 H -0.8441 -0.4298 1.3819 H 1 UNL111111111111 0.1872 18 H 1.3471 -2.4907 -0.5679 H 1 UNL111111111111 0.1490 19 H 1.4922 2.8885 -0.2385 H 1 UNL111111111111 0.3428 20 H -1.7084 2.0344 0.7224 H 1 UNL111111111111 0.3497 21 H 3.6569 0.3690 -0.2203 H 1 UNL111111111111 0.3370 22 H 0.8997 -2.4405 1.6897 H 1 UNL111111111111 0.3313 23 H -3.9867 0.7260 0.2435 H 1 UNL111111111111 0.3703 @BOND 1 16 10 1 2 15 9 1 3 7 13 2 4 18 12 1 5 10 4 1 6 10 12 1 7 10 8 1 8 2 19 1 9 2 8 1 10 1 12 1 11 1 11 1 12 21 4 1 13 9 8 1 14 9 11 1 15 9 3 1 16 13 11 1 17 13 6 1 18 12 5 1 19 8 14 1 20 23 6 1 21 11 17 1 22 3 20 1 23 5 22 1