@MOLECULE 4-amino-1-(beta-d-glucopyranuronosyl)-2(1h)-pyrimidinone 33 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.7441 -0.6524 0.1926 O.3 1 UNL1 -0.3988 2 O 0.2510 2.7048 -0.7955 O.3 1 UNL1 -0.5151 3 O -1.9698 2.3721 0.9262 O.3 1 UNL1 -0.5641 4 O -2.8032 0.1591 -1.7488 O.3 1 UNL1 -0.5431 5 O -4.0262 -1.7877 0.6482 O.3 1 UNL1 -0.5819 6 O -2.1690 -2.8912 0.0848 O.2 1 UNL1 -0.4324 7 O 2.0035 0.6600 2.2040 O.2 1 UNL1 -0.4768 8 N 1.3748 0.0916 0.0823 N.ar 1 UNL1 -0.4760 9 N 3.6477 -0.2084 0.8487 N.ar 1 UNL1 -0.6271 10 N 5.2653 -0.9971 -0.5840 N.pl3 1 UNL1 -0.5854 11 C -0.5181 1.5451 -0.7337 C.3 1 UNL1 0.0707 12 C -1.9884 1.8626 -0.3911 C.3 1 UNL1 0.0710 13 C 0.0204 0.5509 0.3380 C.3 1 UNL1 0.2313 14 C -2.7978 0.5445 -0.3931 C.3 1 UNL1 0.0651 15 C -2.1012 -0.4731 0.5359 C.3 1 UNL1 -0.0100 16 C -2.6911 -1.8580 0.3879 C.2 1 UNL1 0.5970 17 C 1.6753 -0.5083 -1.1102 C.ar 1 UNL1 0.2116 18 C 2.3789 0.1984 1.1567 C.ar 1 UNL1 0.7249 19 C 2.9571 -0.9107 -1.3856 C.ar 1 UNL1 -0.4854 20 C 3.9481 -0.7038 -0.3651 C.ar 1 UNL1 0.5157 21 H -0.4400 1.1233 -1.7668 H 1 UNL1 0.1739 22 H -2.4135 2.6172 -1.0841 H 1 UNL1 0.1509 23 H -0.0693 0.9563 1.3832 H 1 UNL1 0.1942 24 H -3.8568 0.7007 -0.0857 H 1 UNL1 0.1502 25 H -2.1708 -0.1329 1.6028 H 1 UNL1 0.1860 26 H 0.1627 3.2293 0.0365 H 1 UNL1 0.3334 27 H -2.8115 2.8199 1.1453 H 1 UNL1 0.3307 28 H -2.8623 -0.8137 -1.8461 H 1 UNL1 0.3317 29 H 0.8617 -0.6471 -1.8380 H 1 UNL1 0.1744 30 H 3.2162 -1.3717 -2.3271 H 1 UNL1 0.1856 31 H -4.4876 -2.6603 0.6185 H 1 UNL1 0.3639 32 H 5.5688 -1.4169 -1.4319 H 1 UNL1 0.3091 33 H 5.9444 -0.8383 0.1388 H 1 UNL1 0.3247 @BOND 1 30 19 1 2 28 4 1 3 29 17 1 4 21 11 1 5 4 14 1 6 32 10 1 7 19 17 ar 8 19 20 ar 9 17 8 ar 10 22 12 1 11 2 11 1 12 2 26 1 13 11 12 1 14 11 13 1 15 10 20 1 16 10 33 1 17 14 12 1 18 14 24 1 19 14 15 1 20 12 3 1 21 20 9 ar 22 8 13 1 23 8 18 ar 24 6 16 2 25 1 13 1 26 1 15 1 27 13 23 1 28 16 15 1 29 16 5 1 30 15 25 1 31 31 5 1 32 9 18 ar 33 3 27 1 34 18 7 2