@MOLECULE 1-(2-deoxy-alpha-d-erythro-pentofuranosyl)-2(1h)-pyrimidinone 27 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.0527 0.4939 -0.7300 O.3 1 UNL1 -0.4423 2 O3* 1.9680 -1.3918 1.9612 O.3 1 UNL1 -0.5453 3 O5* 3.5926 1.9034 -0.7055 O.3 1 UNL1 -0.5304 4 O -2.3631 -1.4680 -1.3729 O.2 1 UNL1 -0.4682 5 N -1.1569 0.0377 -0.1711 N.ar 1 UNL1 -0.4933 6 N -3.5805 0.0875 -0.1664 N.ar 1 UNL1 -0.4911 7 C3* 2.0081 -1.2944 0.5534 C.3 1 UNL1 0.1228 8 C2* 0.6155 -1.7195 0.0713 C.3 1 UNL1 -0.3670 9 C4* 2.1416 0.1878 0.1414 C.3 1 UNL1 0.0043 10 C1* 0.0836 -0.5311 -0.7424 C.3 1 UNL1 0.3088 11 C5* 3.4030 0.5072 -0.6670 C.3 1 UNL1 -0.0322 12 C -1.1252 1.0804 0.7095 C.ar 1 UNL1 0.1867 13 C -2.4230 -0.5194 -0.6303 C.ar 1 UNL1 0.6742 14 C -2.3022 1.6347 1.1620 C.ar 1 UNL1 -0.4424 15 C -3.5264 1.0996 0.6734 C.ar 1 UNL1 0.2048 16 H3* 2.8192 -1.9399 0.1626 H 1 UNL1 0.1283 17 H2*1 0.6365 -2.6437 -0.5308 H 1 UNL1 0.1773 18 H2*2 -0.0335 -1.9575 0.9430 H 1 UNL1 0.1995 19 H4* 2.0442 0.8659 1.0192 H 1 UNL1 0.1612 20 H1* -0.0961 -0.7581 -1.8269 H 1 UNL1 0.1771 21 H5*1 3.3431 0.1138 -1.6986 H 1 UNL1 0.1372 22 H5*2 4.3212 0.1372 -0.1748 H 1 UNL1 0.1446 23 H3* 2.8598 -1.2958 2.3493 H 1 UNL1 0.3196 24 H -0.1441 1.4563 1.0326 H 1 UNL1 0.1767 25 H5* 2.8209 2.3315 -1.1393 H 1 UNL1 0.3251 26 H -2.3040 2.4586 1.8637 H 1 UNL1 0.1868 27 H -4.4922 1.5260 0.9884 H 1 UNL1 0.1772 @BOND 1 20 10 1 2 21 11 1 3 4 13 2 4 25 3 1 5 10 1 1 6 10 5 1 7 10 8 1 8 1 9 1 9 3 11 1 10 11 22 1 11 11 9 1 12 13 5 ar 13 13 6 ar 14 17 8 1 15 5 12 ar 16 6 15 ar 17 8 7 1 18 8 18 1 19 9 7 1 20 9 19 1 21 16 7 1 22 7 2 1 23 15 27 1 24 15 14 ar 25 12 24 1 26 12 14 ar 27 14 26 1 28 2 23 1