@MOLECULE 3-(beta-d-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3h)-one 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -0.1132 -0.4033 -0.2701 N.ar 1 UNL1 -0.4675 2 C 0.1024 -0.2350 1.1754 C.ar 1 UNL1 0.6973 3 O -0.8696 -0.1846 1.8815 O.2 1 UNL1 -0.4357 4 N 1.4176 -0.1799 1.6301 N.ar 1 UNL1 -0.5163 5 C 2.3674 -0.2984 0.7360 C.ar 1 UNL1 0.4216 6 C 2.1981 -0.4720 -0.6954 C.ar 1 UNL1 -0.2875 7 O 3.7005 -0.2744 1.0580 O.2 1 UNL1 -0.2094 8 C 0.9168 -0.5016 -1.1724 C.ar 1 UNL1 0.1691 9 C 3.5411 -0.5608 -1.2259 C.ar 1 UNL1 -0.2377 10 C 4.3882 -0.4416 -0.1716 C.ar 1 UNL1 0.1694 11 C 5.8464 -0.4424 0.0132 C.3 1 UNL1 -0.2935 12 C -1.4918 -0.3236 -0.7770 C.3 1 UNL1 0.2756 13 C 6.4354 0.9351 -0.3407 C.3 1 UNL1 -0.2327 14 C 7.9460 0.9448 -0.1203 C.3 1 UNL1 -0.4399 15 C -2.3627 -1.4783 -0.2173 C.3 1 UNL1 0.0639 16 O -2.1044 -2.5310 -1.1247 O.3 1 UNL1 -0.5638 17 C -3.8594 -1.1309 -0.2722 C.3 1 UNL1 0.0730 18 O -4.4739 -2.1198 0.5272 O.3 1 UNL1 -0.5542 19 C -4.1049 0.2660 0.3216 C.3 1 UNL1 0.0407 20 O -5.4748 0.5069 0.0695 O.3 1 UNL1 -0.5566 21 C -3.2501 1.2905 -0.4435 C.3 1 UNL1 0.0191 22 O -1.8781 0.9566 -0.3194 O.3 1 UNL1 -0.4296 23 C -3.2995 2.6885 0.1991 C.3 1 UNL1 -0.0198 24 O -2.5980 3.6021 -0.6135 O.3 1 UNL1 -0.5289 25 H 0.6805 -0.6137 -2.2378 H 1 UNL1 0.1788 26 H 3.7836 -0.6975 -2.2593 H 1 UNL1 0.1793 27 H 6.1102 -0.7037 1.0647 H 1 UNL1 0.1763 28 H 6.3170 -1.2320 -0.6125 H 1 UNL1 0.1666 29 H -1.5119 -0.3296 -1.8984 H 1 UNL1 0.1488 30 H 6.1988 1.1897 -1.3917 H 1 UNL1 0.1395 31 H 5.9545 1.7196 0.2773 H 1 UNL1 0.1488 32 H 8.2032 0.7469 0.9272 H 1 UNL1 0.1477 33 H 8.4502 0.1889 -0.7324 H 1 UNL1 0.1425 34 H 8.3795 1.9173 -0.3817 H 1 UNL1 0.1453 35 H -2.0672 -1.7974 0.8110 H 1 UNL1 0.1852 36 H -2.6186 -3.3274 -0.8591 H 1 UNL1 0.3451 37 H -4.2737 -1.2172 -1.3029 H 1 UNL1 0.1511 38 H -5.4160 -1.8824 0.6795 H 1 UNL1 0.3377 39 H -3.9073 0.2812 1.4167 H 1 UNL1 0.1618 40 H -5.7912 1.2881 0.5658 H 1 UNL1 0.3250 41 H -3.5225 1.3332 -1.5209 H 1 UNL1 0.1502 42 H -4.3266 3.0928 0.2259 H 1 UNL1 0.1421 43 H -2.8559 2.6866 1.2141 H 1 UNL1 0.1451 44 H -1.6679 3.2949 -0.7097 H 1 UNL1 0.3264 @BOND 1 26 9 1 2 25 8 1 3 29 12 1 4 41 21 1 5 30 13 1 6 37 17 1 7 9 6 ar 8 9 10 ar 9 8 6 ar 10 8 1 ar 11 16 36 1 12 16 15 1 13 12 22 1 14 12 1 1 15 12 15 1 16 33 14 1 17 44 24 1 18 6 5 ar 19 24 23 1 20 28 11 1 21 21 22 1 22 21 23 1 23 21 19 1 24 34 14 1 25 13 14 1 26 13 11 1 27 13 31 1 28 17 15 1 29 17 19 1 30 17 18 1 31 1 2 ar 32 15 35 1 33 10 11 1 34 10 7 ar 35 14 32 1 36 11 27 1 37 20 19 1 38 20 40 1 39 23 42 1 40 23 43 1 41 19 39 1 42 18 38 1 43 5 7 ar 44 5 4 ar 45 2 4 ar 46 2 3 2