@MOLECULE beta-d-glucopyranuronic acid 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.1816 -1.3396 -0.0107 O.3 1 UNL111111111111 -0.4488 2 O 1.6775 2.1242 -0.8770 O.3 1 UNL111111111111 -0.5604 3 O -1.0009 2.1973 0.2458 O.3 1 UNL111111111111 -0.5624 4 O 3.0400 0.0048 0.7396 O.3 1 UNL111111111111 -0.5400 5 O 1.7085 -2.4543 -0.3281 O.3 1 UNL111111111111 -0.5176 6 O -3.1168 0.5213 0.4619 O.3 1 UNL111111111111 -0.6137 7 O -2.8083 -1.4153 -0.6051 O.2 1 UNL111111111111 -0.4176 8 C 1.1108 1.2268 0.0561 C.3 1 UNL111111111111 0.0754 9 C -0.3815 1.0432 -0.2698 C.3 1 UNL111111111111 0.0578 10 C 1.9268 -0.0657 -0.1285 C.3 1 UNL111111111111 0.0290 11 C -0.9073 -0.2239 0.4373 C.3 1 UNL111111111111 0.0025 12 C 1.2011 -1.3502 0.3475 C.3 1 UNL111111111111 0.3464 13 C -2.3357 -0.5115 0.0137 C.2 1 UNL111111111111 0.6090 14 H 1.2470 1.6505 1.0802 H 1 UNL111111111111 0.1583 15 H -0.5549 1.0102 -1.3696 H 1 UNL111111111111 0.1562 16 H 2.2760 -0.1684 -1.1815 H 1 UNL111111111111 0.1608 17 H -0.8425 -0.1334 1.5496 H 1 UNL111111111111 0.1736 18 H 1.3304 -1.5671 1.4289 H 1 UNL111111111111 0.1593 19 H 1.1890 2.9777 -0.8601 H 1 UNL111111111111 0.3386 20 H -1.9672 2.0461 0.3670 H 1 UNL111111111111 0.3501 21 H 3.6731 0.6833 0.4179 H 1 UNL111111111111 0.3327 22 H 1.2216 -2.6135 -1.1721 H 1 UNL111111111111 0.3391 23 H -4.0732 0.4375 0.2312 H 1 UNL111111111111 0.3715 @BOND 1 15 9 1 2 16 10 1 3 22 5 1 4 2 19 1 5 2 8 1 6 7 13 2 7 5 12 1 8 9 8 1 9 9 3 1 10 9 11 1 11 10 8 1 12 10 12 1 13 10 4 1 14 1 12 1 15 1 11 1 16 13 11 1 17 13 6 1 18 8 14 1 19 23 6 1 20 3 20 1 21 12 18 1 22 21 4 1 23 11 17 1