@MOLECULE 1-(beta-d-arabinofuranosyl)-4-thioxo-3,4-dihydro-2(1h)-pyrimidinone 29 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -4.6218 -0.6739 0.3388 S.2 1 UNL1 -0.3229 2 O4* 1.5997 -0.1204 -1.1626 O.3 1 UNL1 -0.4230 3 O2* 1.3006 0.6318 2.0096 O.3 1 UNL1 -0.5352 4 O3* 4.2703 1.0291 0.2982 O.3 1 UNL1 -0.5219 5 O5* 1.7246 -2.7985 -1.0806 O.3 1 UNL1 -0.5159 6 O -1.1359 2.3237 -1.3380 O.2 1 UNL1 -0.4945 7 N -0.3552 0.5598 -0.0987 N.ar 1 UNL1 -0.4688 8 N -2.6968 0.8676 -0.5284 N.ar 1 UNL1 -0.5226 9 C2* 1.9104 1.1461 0.8557 C.3 1 UNL1 0.0307 10 C3* 3.1549 0.2507 0.6193 C.3 1 UNL1 0.0860 11 C1* 1.0286 0.9290 -0.4104 C.3 1 UNL1 0.2288 12 C4* 2.7527 -0.6813 -0.5346 C.3 1 UNL1 -0.0015 13 C5* 2.4069 -2.1005 -0.0650 C.3 1 UNL1 -0.0435 14 C -1.3845 1.3150 -0.7139 C.ar 1 UNL1 0.6784 15 C -0.6503 -0.6082 0.5916 C.ar 1 UNL1 0.1523 16 C -1.9360 -1.0123 0.7584 C.ar 1 UNL1 -0.3732 17 C -3.0384 -0.2787 0.1945 C.ar 1 UNL1 0.3205 18 H2* 2.1798 2.2112 1.0058 H 1 UNL1 0.1568 19 H3* 3.4728 -0.2733 1.5501 H 1 UNL1 0.1841 20 H1* 1.0375 1.8143 -1.1062 H 1 UNL1 0.1901 21 H4* 3.5035 -0.7046 -1.3579 H 1 UNL1 0.1718 22 H5*1 1.7865 -2.1076 0.8509 H 1 UNL1 0.1254 23 H5*2 3.3166 -2.7070 0.1103 H 1 UNL1 0.1550 24 H2* 0.5875 1.2303 2.3280 H 1 UNL1 0.3357 25 H3* 4.1630 1.4866 -0.5636 H 1 UNL1 0.3206 26 H 0.2101 -1.1604 1.0029 H 1 UNL1 0.1931 27 H5* 1.0190 -2.2209 -1.4542 H 1 UNL1 0.3260 28 H -3.4363 1.4271 -0.9788 H 1 UNL1 0.3574 29 H -2.1649 -1.9190 1.3260 H 1 UNL1 0.2102 @BOND 1 27 5 1 2 21 12 1 3 6 14 2 4 2 12 1 5 2 11 1 6 20 11 1 7 5 13 1 8 28 8 1 9 14 8 ar 10 14 7 ar 11 25 4 1 12 12 13 1 13 12 10 1 14 8 17 ar 15 11 7 1 16 11 9 1 17 7 15 ar 18 13 23 1 19 13 22 1 20 17 1 2 21 17 16 ar 22 4 10 1 23 15 16 ar 24 15 26 1 25 10 9 1 26 10 19 1 27 16 29 1 28 9 18 1 29 9 3 1 30 3 24 1