@MOLECULE 5-(2-methoxy-2-oxoethyl)-1-(5-o-phosphonopentofuranosyl)-2-thioxo-2,3-dihydro-4(1h)-pyrimidinone 43 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 1.3989 0.6899 0.5471 N.ar 1 UNL1 -0.3876 2 C 1.2059 1.7519 -0.3312 C.ar 1 UNL1 0.4680 3 S -0.2499 2.5342 -0.6009 S.2 1 UNL1 -0.4625 4 N 2.3221 2.2272 -0.9901 N.ar 1 UNL1 -0.5480 5 C 3.6422 1.7018 -0.8571 C.ar 1 UNL1 0.5845 6 O 4.5120 2.2249 -1.5104 O.2 1 UNL1 -0.4544 7 C 3.7595 0.5880 0.0686 C.ar 1 UNL1 -0.2562 8 C 2.6601 0.1221 0.7166 C.ar 1 UNL1 0.1335 9 C 5.1071 -0.0132 0.2444 C.3 1 UNL1 -0.3166 10 C 5.0337 -1.5057 0.0628 C.2 1 UNL1 0.6092 11 O 4.1964 -2.2479 0.5107 O.2 1 UNL1 -0.5271 12 O 6.0731 -1.9304 -0.6889 O.3 1 UNL1 -0.3899 13 C 6.1154 -3.3279 -0.9694 C.3 1 UNL1 -0.1710 14 C 0.2751 -0.0542 1.1695 C.3 1 UNL1 0.2481 15 O -0.4907 0.3684 3.3631 O.3 1 UNL1 -0.5461 16 C -0.6984 0.7899 2.0427 C.3 1 UNL1 0.0810 17 O -2.8199 -0.1852 2.4841 O.3 1 UNL1 -0.5917 18 C -2.0987 0.4630 1.4589 C.3 1 UNL1 0.0760 19 C -1.8473 -0.5407 0.3131 C.3 1 UNL1 0.0335 20 O -0.4342 -0.6435 0.1082 O.3 1 UNL1 -0.4162 21 C -2.4474 -0.1590 -1.0472 C.3 1 UNL1 -0.0245 22 O -3.5794 -0.9976 -1.3191 O.3 1 UNL1 -0.3403 23 P -5.0753 -0.6196 -0.8692 P.3 1 UNL1 0.3653 24 O -5.4963 0.7643 -0.9043 O.2 1 UNL1 -0.2329 25 O -5.8439 -1.7066 -1.7499 O.3 1 UNL1 -0.3330 26 O -5.2245 -1.2416 0.5911 O.3 1 UNL1 -0.3524 27 H 2.2053 3.0220 -1.6382 H 1 UNL1 0.3568 28 H 2.7211 -0.7374 1.4123 H 1 UNL1 0.2103 29 H 5.5239 0.2130 1.2546 H 1 UNL1 0.1912 30 H 5.8454 0.4377 -0.4700 H 1 UNL1 0.2130 31 H 6.9924 -3.4197 -1.6209 H 1 UNL1 0.1492 32 H 6.2417 -3.8952 -0.0419 H 1 UNL1 0.1392 33 H 5.2010 -3.6389 -1.4871 H 1 UNL1 0.1444 34 H 0.7039 -0.8992 1.7776 H 1 UNL1 0.1677 35 H -1.2719 -0.1283 3.7074 H 1 UNL1 0.3531 36 H -0.4728 1.8766 2.0673 H 1 UNL1 0.1770 37 H -3.7548 -0.3268 2.2130 H 1 UNL1 0.3612 38 H -2.6492 1.3760 1.1515 H 1 UNL1 0.1606 39 H -2.1566 -1.5713 0.6180 H 1 UNL1 0.1639 40 H -2.6298 0.9268 -1.1579 H 1 UNL1 0.1571 41 H -1.7668 -0.4790 -1.8741 H 1 UNL1 0.1623 42 H -5.5589 -1.5884 -2.7308 H 1 UNL1 0.3243 43 H -5.1560 -2.2626 0.5404 H 1 UNL1 0.3202 @BOND 1 42 25 1 2 41 21 1 3 25 23 1 4 27 4 1 5 31 13 1 6 6 5 2 7 33 13 1 8 22 21 1 9 22 23 1 10 40 21 1 11 21 19 1 12 4 5 ar 13 4 2 ar 14 13 12 1 15 13 32 1 16 24 23 2 17 23 26 1 18 5 7 ar 19 12 10 1 20 3 2 2 21 30 9 1 22 2 1 ar 23 10 9 1 24 10 11 2 25 7 9 1 26 7 8 ar 27 20 19 1 28 20 14 1 29 9 29 1 30 19 39 1 31 19 18 1 32 43 26 1 33 1 8 ar 34 1 14 1 35 8 28 1 36 38 18 1 37 14 34 1 38 14 16 1 39 18 16 1 40 18 17 1 41 16 36 1 42 16 15 1 43 37 17 1 44 15 35 1