@MOLECULE 1-[(2r,4s,5r)-4-hydroxy-5-{[(methylsulfanyl)oxy]methyl}tetrahydro-2-furanyl]-5-methyl-2,4(1h,3h)-pyrimidinedione 35 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 3.2527 2.1346 -0.2000 S.3 1 UNL1 0.2609 2 O 1.1300 -0.6848 0.9023 O.3 1 UNL1 -0.4232 3 O 2.5958 -3.2161 -0.3687 O.3 1 UNL1 -0.5394 4 O 1.7635 1.5082 -0.7030 O.3 1 UNL1 -0.4345 5 O -2.5212 -2.4568 0.3835 O.2 1 UNL1 -0.5339 6 O -4.4199 1.5538 -0.5346 O.2 1 UNL1 -0.4745 7 N -1.1682 -0.6167 0.4450 N.ar 1 UNL1 -0.5119 8 N -3.4903 -0.4362 -0.0733 N.ar 1 UNL1 -0.6247 9 C 1.6439 -2.2774 -0.7871 C.3 1 UNL1 0.1240 10 C -0.0211 -1.4890 0.8189 C.3 1 UNL1 0.3276 11 C 0.2466 -2.5831 -0.2291 C.3 1 UNL1 -0.3934 12 C 1.9844 -0.8774 -0.2237 C.3 1 UNL1 0.0061 13 C 1.7545 0.2202 -1.2647 C.3 1 UNL1 -0.0815 14 C -1.0404 0.7628 0.3825 C.ar 1 UNL1 0.1213 15 C -2.4142 -1.2523 0.2622 C.ar 1 UNL1 0.7036 16 C -2.0948 1.5531 0.0572 C.ar 1 UNL1 -0.2447 17 C -3.4065 0.9808 -0.2128 C.ar 1 UNL1 0.6099 18 C -1.9838 3.0298 -0.0316 C.3 1 UNL1 -0.4037 19 C 3.2319 1.7416 1.5649 C.3 1 UNL1 -0.5530 20 H 1.7105 -2.3501 -1.8925 H 1 UNL1 0.1591 21 H -0.1867 -1.8657 1.8595 H 1 UNL1 0.1616 22 H -0.5182 -2.6052 -1.0286 H 1 UNL1 0.1919 23 H 0.1959 -3.5939 0.2184 H 1 UNL1 0.1888 24 H 3.0033 -0.8394 0.2194 H 1 UNL1 0.1671 25 H 0.7234 0.1796 -1.6844 H 1 UNL1 0.1629 26 H 2.4776 0.1382 -2.0982 H 1 UNL1 0.1411 27 H 2.6062 -3.3133 0.6065 H 1 UNL1 0.3218 28 H -0.0417 1.1759 0.6048 H 1 UNL1 0.2067 29 H -4.3961 -0.8884 -0.2202 H 1 UNL1 0.3455 30 H -2.5262 3.4205 -0.9099 H 1 UNL1 0.1721 31 H -0.9436 3.3745 -0.1129 H 1 UNL1 0.1536 32 H -2.4274 3.5180 0.8514 H 1 UNL1 0.1634 33 H 3.2295 2.6584 2.1666 H 1 UNL1 0.1724 34 H 4.1028 1.1424 1.8501 H 1 UNL1 0.1666 35 H 2.3309 1.1725 1.8411 H 1 UNL1 0.1902 @BOND 1 26 13 1 2 20 9 1 3 25 13 1 4 13 4 1 5 13 12 1 6 22 11 1 7 30 18 1 8 9 3 1 9 9 11 1 10 9 12 1 11 4 1 1 12 6 17 2 13 3 27 1 14 11 23 1 15 11 10 1 16 12 24 1 17 12 2 1 18 29 8 1 19 17 8 ar 20 17 16 ar 21 1 19 1 22 31 18 1 23 8 15 ar 24 18 16 1 25 18 32 1 26 16 14 ar 27 15 5 2 28 15 7 ar 29 14 7 ar 30 14 28 1 31 7 10 1 32 10 2 1 33 10 21 1 34 19 35 1 35 19 34 1 36 19 33 1