@MOLECULE 1-(2-o-methyl-beta-d-xylofuranosyl)-2,4(1h,3h)-pyrimidinedione 32 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.9404 -0.5420 -1.1767 O.3 1 UNL1 -0.4178 2 O -1.9548 1.9438 0.6541 O.3 1 UNL1 -0.3772 3 O -1.6788 -1.2484 1.8789 O.3 1 UNL1 -0.5672 4 O -4.3673 -1.3787 -0.7010 O.3 1 UNL1 -0.5611 5 O 1.8616 2.0039 -1.1222 O.2 1 UNL1 -0.5259 6 O 4.8375 -1.1380 0.2258 O.2 1 UNL1 -0.4746 7 N 1.0231 0.1073 -0.1532 N.ar 1 UNL1 -0.4883 8 N 3.3730 0.4297 -0.4407 N.ar 1 UNL1 -0.6239 9 C -1.1721 0.7858 0.8214 C.3 1 UNL1 0.0106 10 C -2.1789 -0.3843 0.8807 C.3 1 UNL1 0.0887 11 C -0.3512 0.5299 -0.4722 C.3 1 UNL1 0.2522 12 C -2.0708 -1.0736 -0.4915 C.3 1 UNL1 0.0477 13 C -3.2850 -0.7663 -1.3828 C.3 1 UNL1 -0.0369 14 C 2.0850 0.9206 -0.6223 C.ar 1 UNL1 0.7073 15 C 1.2566 -1.1327 0.4220 C.ar 1 UNL1 0.1885 16 C -1.2475 3.1463 0.9148 C.3 1 UNL1 -0.2002 17 C 2.5185 -1.5946 0.5958 C.ar 1 UNL1 -0.4433 18 C 3.6708 -0.8363 0.1528 C.ar 1 UNL1 0.6262 19 H -0.5484 0.8418 1.7384 H 1 UNL1 0.1698 20 H -3.2082 -0.0538 1.1337 H 1 UNL1 0.1666 21 H -0.3433 1.3989 -1.1816 H 1 UNL1 0.1939 22 H -1.8858 -2.1657 -0.4068 H 1 UNL1 0.1638 23 H -3.1670 -1.2070 -2.3880 H 1 UNL1 0.1348 24 H -3.4718 0.3193 -1.4692 H 1 UNL1 0.1368 25 H -2.3785 -1.8584 2.1920 H 1 UNL1 0.3353 26 H 0.3604 -1.6936 0.7390 H 1 UNL1 0.1959 27 H -0.9113 3.1839 1.9553 H 1 UNL1 0.1296 28 H -2.0073 3.9165 0.7288 H 1 UNL1 0.1516 29 H -0.4045 3.2686 0.2246 H 1 UNL1 0.1423 30 H -5.1780 -1.3391 -1.2447 H 1 UNL1 0.3248 31 H 4.1494 1.0101 -0.7675 H 1 UNL1 0.3456 32 H 2.7278 -2.5511 1.0696 H 1 UNL1 0.2044 @BOND 1 23 13 1 2 24 13 1 3 13 4 1 4 13 12 1 5 30 4 1 6 21 11 1 7 1 12 1 8 1 11 1 9 5 14 2 10 31 8 1 11 14 8 ar 12 14 7 ar 13 12 22 1 14 12 10 1 15 11 7 1 16 11 9 1 17 8 18 ar 18 7 15 ar 19 18 6 2 20 18 17 ar 21 29 16 1 22 15 17 ar 23 15 26 1 24 17 32 1 25 2 9 1 26 2 16 1 27 28 16 1 28 9 10 1 29 9 19 1 30 10 20 1 31 10 3 1 32 16 27 1 33 3 25 1