@MOLECULE (5r,6r,7s,8r)-6,7,8-trihydroxy-5-(hydroxymethyl)hexahydroimidazo[1,2-a]pyridine-2,3-dione 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.3446 2.3323 -1.2990 O.3 1 UNL111111111 -0.5575 2 O -1.1153 -0.0691 2.0642 O.3 1 UNL111111111 -0.5698 3 O -3.1144 1.1590 0.6568 O.3 1 UNL111111111 -0.5379 4 O -0.0022 -3.2452 -1.3885 O.3 1 UNL111111111 -0.5187 5 O 2.1641 -1.1289 1.3694 O.2 1 UNL111111111 -0.4106 6 O 3.4925 1.3868 0.2491 O.2 1 UNL111111111 -0.3985 7 N 0.6130 -0.5734 -0.2423 N.am 1 UNL111111111 -0.5511 8 N 1.4870 1.4732 -0.8731 N.am 1 UNL111111111 -0.6248 9 C 0.2542 0.6710 -0.9741 C.3 1 UNL111111111 0.2478 10 C -0.4414 -1.4801 0.1996 C.3 1 UNL111111111 -0.0293 11 C -0.9399 1.4166 -0.3074 C.3 1 UNL111111111 0.0430 12 C -1.5846 -0.7114 0.8964 C.3 1 UNL111111111 0.0525 13 C -2.0935 0.4457 0.0124 C.3 1 UNL111111111 0.0691 14 C -0.9638 -2.2918 -1.0098 C.3 1 UNL111111111 -0.0216 15 C 1.7794 -0.3772 0.5204 C.2 1 UNL111111111 0.4827 16 C 2.4187 0.9228 -0.0096 C.2 1 UNL111111111 0.4965 17 H 0.0223 0.4384 -2.0492 H 1 UNL111111111 0.1738 18 H 0.0185 -2.2148 0.9288 H 1 UNL111111111 0.1941 19 H -0.6257 1.9846 0.5973 H 1 UNL111111111 0.1625 20 H -2.4155 -1.3855 1.2020 H 1 UNL111111111 0.1522 21 H -2.5912 0.0771 -0.9141 H 1 UNL111111111 0.1608 22 H 1.5743 2.3454 -1.3605 H 1 UNL111111111 0.3493 23 H -1.2068 -1.6534 -1.8768 H 1 UNL111111111 0.1259 24 H -1.8438 -2.9068 -0.7414 H 1 UNL111111111 0.1508 25 H -2.2299 2.7018 -1.0703 H 1 UNL111111111 0.3464 26 H -0.4297 -0.5998 2.5239 H 1 UNL111111111 0.3442 27 H -2.8724 1.3396 1.5972 H 1 UNL111111111 0.3417 28 H 0.8613 -2.8011 -1.5527 H 1 UNL111111111 0.3264 @BOND 1 17 9 1 2 23 14 1 3 28 4 1 4 4 14 1 5 22 8 1 6 1 25 1 7 1 11 1 8 14 24 1 9 14 10 1 10 9 8 1 11 9 11 1 12 9 7 1 13 21 13 1 14 8 16 am 15 11 13 1 16 11 19 1 17 7 10 1 18 7 15 am 19 16 6 2 20 16 15 1 21 13 3 1 22 13 12 1 23 10 12 1 24 10 18 1 25 15 5 2 26 3 27 1 27 12 20 1 28 12 2 1 29 2 26 1