@MOLECULE 4-amino-1-{5-o-[(3-carboxypropoxy)(hydroxy)phosphoryl]-d-arabinofuranosyl}-2(1h)-pyrimidinone 47 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.7350 -1.1336 0.3759 P.3 1 UNL1 0.3154 2 O -0.5719 0.9091 -0.1391 O.3 1 UNL1 -0.4229 3 O -1.4944 4.1654 0.7564 O.3 1 UNL1 -0.5194 4 O 0.5053 3.7223 -1.7943 O.3 1 UNL1 -0.5228 5 O -3.5109 0.4348 0.5360 O.3 1 UNL1 -0.2143 6 O -2.4157 -1.8423 -0.1842 O.3 1 UNL1 -0.3112 7 O 3.0067 1.6526 -1.6645 O.2 1 UNL1 -0.4929 8 O -4.5767 -1.1970 -0.9823 O.3 1 UNL1 -0.3158 9 O -4.3298 -1.6378 1.6022 O.2 1 UNL1 -0.2535 10 O 3.1616 -3.8242 -0.4500 O.3 1 UNL1 -0.5788 11 O 1.8448 -3.2828 -2.1682 O.2 1 UNL1 -0.4904 12 N 1.7052 1.1722 0.1303 N.ar 1 UNL1 -0.5224 13 N 4.0669 0.6646 0.1398 N.ar 1 UNL1 -0.6191 14 N 5.0391 -0.2496 2.0156 N.pl3 1 UNL1 -0.5772 15 C -1.2242 3.2284 -0.2434 C.3 1 UNL1 0.0857 16 C 0.2858 3.1166 -0.5511 C.3 1 UNL1 0.0265 17 C -1.6250 1.8082 0.2165 C.3 1 UNL1 0.0206 18 C 0.5408 1.5888 -0.6647 C.3 1 UNL1 0.2281 19 C -2.8771 1.2518 -0.4688 C.3 1 UNL1 -0.0564 20 C 1.5573 0.6809 1.3922 C.ar 1 UNL1 0.1994 21 C 3.0078 1.1747 -0.5547 C.ar 1 UNL1 0.7194 22 C 2.6408 0.1763 2.0663 C.ar 1 UNL1 -0.5007 23 C 3.9095 0.1966 1.3932 C.ar 1 UNL1 0.5118 24 C -1.2567 -2.1042 0.6437 C.3 1 UNL1 0.0087 25 C -0.2227 -2.4037 -0.4555 C.3 1 UNL1 -0.2903 26 C 1.0557 -2.9996 0.1278 C.3 1 UNL1 -0.3468 27 C 1.9975 -3.3538 -0.9790 C.2 1 UNL1 0.6459 28 H -1.8007 3.6165 -1.1162 H 1 UNL1 0.1863 29 H 0.9111 3.6134 0.2203 H 1 UNL1 0.1452 30 H -1.7187 1.7486 1.3264 H 1 UNL1 0.1555 31 H 0.6650 1.2436 -1.7274 H 1 UNL1 0.1916 32 H -2.6227 0.7722 -1.4369 H 1 UNL1 0.1643 33 H -3.6322 2.0448 -0.6583 H 1 UNL1 0.1482 34 H -1.0061 3.9777 1.5824 H 1 UNL1 0.3108 35 H 1.4481 3.5786 -2.0675 H 1 UNL1 0.3447 36 H 0.5510 0.6909 1.8403 H 1 UNL1 0.1806 37 H 2.5497 -0.2206 3.0653 H 1 UNL1 0.1851 38 H -0.9372 -1.2534 1.2744 H 1 UNL1 0.1221 39 H -1.4525 -2.9878 1.2820 H 1 UNL1 0.1231 40 H -0.6729 -3.0921 -1.2042 H 1 UNL1 0.1733 41 H -0.0033 -1.4749 -1.0236 H 1 UNL1 0.1711 42 H -4.6780 -2.1841 -1.2535 H 1 UNL1 0.3163 43 H 0.8414 -3.9019 0.7410 H 1 UNL1 0.1813 44 H 1.5500 -2.2938 0.8313 H 1 UNL1 0.1778 45 H 5.0133 -0.6170 2.9399 H 1 UNL1 0.3111 46 H 5.9138 -0.2561 1.5229 H 1 UNL1 0.3268 47 H 3.8354 -4.0769 -1.1265 H 1 UNL1 0.3585 @BOND 1 11 27 2 2 35 4 1 3 4 16 1 4 31 18 1 5 7 21 2 6 32 19 1 7 42 8 1 8 40 25 1 9 47 10 1 10 28 15 1 11 41 25 1 12 8 1 1 13 27 10 1 14 27 26 1 15 18 16 1 16 18 2 1 17 18 12 1 18 33 19 1 19 21 12 ar 20 21 13 ar 21 16 15 1 22 16 29 1 23 19 17 1 24 19 5 1 25 25 26 1 26 25 24 1 27 15 17 1 28 15 3 1 29 6 1 1 30 6 24 1 31 2 17 1 32 26 43 1 33 26 44 1 34 12 20 ar 35 13 23 ar 36 17 30 1 37 1 5 1 38 1 9 2 39 24 38 1 40 24 39 1 41 3 34 1 42 20 36 1 43 20 22 ar 44 23 14 1 45 23 22 ar 46 46 14 1 47 14 45 1 48 22 37 1