@MOLECULE 1-(alpha-l-ribofuranosyl)-4-thioxo-3,4-dihydro-2(1h)-pyrimidinone 29 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -4.8390 0.8012 0.2718 S.2 1 UNL1 -0.3405 2 O4* 1.5788 0.6472 -0.7544 O.3 1 UNL1 -0.4293 3 O2* 2.1261 -2.4861 0.1772 O.3 1 UNL1 -0.5388 4 O3* 2.2848 0.1371 2.3984 O.3 1 UNL1 -0.5475 5 O5* 3.9218 2.0931 -1.3963 O.3 1 UNL1 -0.5251 6 O -1.2154 -2.1624 -1.1736 O.2 1 UNL1 -0.5201 7 N -0.5292 -0.1792 -0.2723 N.ar 1 UNL1 -0.4838 8 N -2.8521 -0.7189 -0.4800 N.ar 1 UNL1 -0.5175 9 C2* 1.5032 -1.3148 0.6354 C.3 1 UNL1 0.0341 10 C3* 2.6369 -0.3956 1.1434 C.3 1 UNL1 0.0831 11 C1* 0.8733 -0.5498 -0.5611 C.3 1 UNL1 0.2591 12 C4* 2.6475 0.8068 0.1860 C.3 1 UNL1 0.0391 13 C5* 3.9258 0.8941 -0.6568 C.3 1 UNL1 -0.0349 14 C -1.5215 -1.0932 -0.6860 C.ar 1 UNL1 0.6815 15 C -0.8615 1.0337 0.3060 C.ar 1 UNL1 0.1676 16 C -2.1662 1.3668 0.4997 C.ar 1 UNL1 -0.3746 17 C -3.2370 0.4943 0.1000 C.ar 1 UNL1 0.3259 18 H2* 0.7709 -1.5645 1.4316 H 1 UNL1 0.1587 19 H3* 3.6070 -0.9321 1.2102 H 1 UNL1 0.1572 20 H1* 0.9251 -1.1088 -1.5328 H 1 UNL1 0.1855 21 H4* 2.4331 1.7671 0.7109 H 1 UNL1 0.1771 22 H5*1 4.0262 0.0365 -1.3474 H 1 UNL1 0.1380 23 H5*2 4.8314 0.9810 -0.0267 H 1 UNL1 0.1522 24 H2* 1.4543 -3.1056 -0.1948 H 1 UNL1 0.3414 25 H3* 2.4393 -0.5127 3.1158 H 1 UNL1 0.3301 26 H -0.0235 1.6860 0.5932 H 1 UNL1 0.1920 27 H5* 3.1181 2.1316 -1.9617 H 1 UNL1 0.3239 28 H -3.5692 -1.3899 -0.7887 H 1 UNL1 0.3564 29 H -2.4313 2.3191 0.9663 H 1 UNL1 0.2093 @BOND 1 27 5 1 2 20 11 1 3 5 13 1 4 22 13 1 5 6 14 2 6 28 8 1 7 2 11 1 8 2 12 1 9 14 8 ar 10 14 7 ar 11 13 23 1 12 13 12 1 13 11 7 1 14 11 9 1 15 8 17 ar 16 7 15 ar 17 24 3 1 18 17 1 2 19 17 16 ar 20 3 9 1 21 12 21 1 22 12 10 1 23 15 16 ar 24 15 26 1 25 16 29 1 26 9 10 1 27 9 18 1 28 10 19 1 29 10 4 1 30 4 25 1