@MOLECULE 2-(4-amino-2-oxo-1(2h)-pyrimidinyl)-1,5-anhydro-2,3-dideoxy-6-o-phosphonohexitol 37 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 4.4510 0.5996 0.0284 P.3 1 UNL1 0.3460 2 O 0.4026 -0.2345 0.9032 O.3 1 UNL1 -0.3976 3 O 0.4643 -2.3759 -1.9686 O.3 1 UNL1 -0.5548 4 O 3.0326 -0.1257 0.2274 O.3 1 UNL1 -0.3660 5 O -4.4564 -1.5490 0.8077 O.2 1 UNL1 -0.4841 6 O 4.8910 0.5512 1.5649 O.3 1 UNL1 -0.3285 7 O 4.1378 2.1328 -0.2549 O.3 1 UNL1 -0.3432 8 O 5.4019 0.0710 -0.9240 O.2 1 UNL1 -0.1819 9 N -2.6369 -0.2176 0.4638 N.ar 1 UNL1 -0.4759 10 N -4.8868 0.5617 0.0038 N.ar 1 UNL1 -0.6274 11 N -5.2478 2.6800 -0.8123 N.pl3 1 UNL1 -0.5873 12 C -1.7757 -1.3422 0.8770 C.3 1 UNL1 0.0391 13 C -1.3087 -2.1538 -0.3442 C.3 1 UNL1 -0.3678 14 C -0.1598 -1.4650 -1.0862 C.3 1 UNL1 0.1044 15 C 0.9623 -1.0743 -0.0966 C.3 1 UNL1 0.0558 16 C -0.5617 -0.8794 1.7055 C.3 1 UNL1 -0.0793 17 C 2.0226 -0.1985 -0.7903 C.3 1 UNL1 -0.0066 18 C -2.1202 0.9709 0.0455 C.ar 1 UNL1 0.1810 19 C -4.0884 -0.4595 0.4386 C.ar 1 UNL1 0.7079 20 C -2.9444 1.9852 -0.3824 C.ar 1 UNL1 -0.5022 21 C -4.3565 1.7334 -0.3897 C.ar 1 UNL1 0.5100 22 H -0.1640 -2.6919 -2.6478 H 1 UNL1 0.3232 23 H 4.1620 0.0648 2.1047 H 1 UNL1 0.3196 24 H 3.5756 2.5222 0.5030 H 1 UNL1 0.3074 25 H -6.2318 2.4817 -0.8023 H 1 UNL1 0.3257 26 H -4.9497 3.5833 -1.1004 H 1 UNL1 0.3100 27 H -2.4134 -2.0153 1.5304 H 1 UNL1 0.1908 28 H -2.1641 -2.3354 -1.0255 H 1 UNL1 0.1698 29 H -0.9839 -3.1630 -0.0155 H 1 UNL1 0.1733 30 H -0.5149 -0.5896 -1.6710 H 1 UNL1 0.1231 31 H 1.4260 -1.9689 0.3734 H 1 UNL1 0.1562 32 H -0.8249 -0.0973 2.4431 H 1 UNL1 0.1568 33 H -0.1020 -1.7342 2.2352 H 1 UNL1 0.1392 34 H 2.3778 -0.7032 -1.7153 H 1 UNL1 0.1552 35 H 1.6222 0.8053 -1.0307 H 1 UNL1 0.1300 36 H -1.0236 1.1026 0.0658 H 1 UNL1 0.1934 37 H -2.5483 2.9373 -0.7009 H 1 UNL1 0.1850 @BOND 1 22 3 1 2 3 14 1 3 34 17 1 4 30 14 1 5 26 11 1 6 14 13 1 7 14 15 1 8 35 17 1 9 28 13 1 10 8 1 2 11 11 25 1 12 11 21 1 13 17 15 1 14 17 4 1 15 37 20 1 16 21 20 ar 17 21 10 ar 18 20 18 ar 19 13 29 1 20 13 12 1 21 7 1 1 22 7 24 1 23 15 31 1 24 15 2 1 25 10 19 ar 26 1 4 1 27 1 6 1 28 18 36 1 29 18 9 ar 30 19 9 ar 31 19 5 2 32 9 12 1 33 12 27 1 34 12 16 1 35 2 16 1 36 6 23 1 37 16 33 1 38 16 32 1