@MOLECULE 1-{5-o-[hydroxy(phosphonomethyl)phosphoryl]pentofuranosyl}-2,4(1h,3h)-pyrimidinedione 41 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -3.5993 0.2465 0.1876 N.ar 1 UNL1 -0.4843 2 C -4.6700 0.7395 0.9843 C.ar 1 UNL1 0.7039 3 O -5.0248 0.1579 1.9847 O.2 1 UNL1 -0.4880 4 N -5.2935 1.9025 0.5377 N.ar 1 UNL1 -0.6235 5 C -4.8785 2.6466 -0.6044 C.ar 1 UNL1 0.6209 6 O -5.4910 3.6564 -0.8543 O.2 1 UNL1 -0.4691 7 C -3.7510 2.0878 -1.3283 C.ar 1 UNL1 -0.4327 8 C -3.1472 0.9462 -0.9197 C.ar 1 UNL1 0.1714 9 P 2.8227 -0.6059 -0.8825 P.3 1 UNL1 0.2947 10 P 5.2109 1.1533 0.6912 P.3 1 UNL1 0.3217 11 C -2.8389 -0.8966 0.7164 C.3 1 UNL1 0.2625 12 O 3.0468 0.1950 -2.2433 O.3 1 UNL1 -0.3450 13 O 5.2537 2.5548 0.2979 O.2 1 UNL1 -0.2895 14 C -2.9289 -2.1530 -0.1900 C.3 1 UNL1 0.0176 15 O -3.5820 -3.1175 0.5942 O.3 1 UNL1 -0.5205 16 O 3.0194 -2.0256 -1.1403 O.2 1 UNL1 -0.2749 17 O 5.4418 0.8444 2.2515 O.3 1 UNL1 -0.4590 18 C -1.4522 -2.5423 -0.4742 C.3 1 UNL1 0.0406 19 O -1.1398 -3.7534 0.1585 O.3 1 UNL1 -0.5219 20 C 3.6005 0.2136 0.5990 C.3 1 UNL1 -0.1515 21 O 6.4049 0.3837 -0.0337 O.3 1 UNL1 -0.3491 22 C -0.6129 -1.3806 0.0848 C.3 1 UNL1 0.0172 23 O -1.4892 -0.4882 0.7738 O.3 1 UNL1 -0.4262 24 C 0.1318 -0.5704 -0.9909 C.3 1 UNL1 -0.0205 25 O 1.3521 -0.1429 -0.3887 O.3 1 UNL1 -0.3714 26 H -3.4252 2.6461 -2.2025 H 1 UNL1 0.2018 27 H -2.2854 0.5098 -1.4432 H 1 UNL1 0.1696 28 H -3.1614 -1.1165 1.7743 H 1 UNL1 0.2052 29 H 3.1428 1.1984 -2.0703 H 1 UNL1 0.3120 30 H -3.5273 -1.9992 -1.1095 H 1 UNL1 0.1522 31 H -3.3146 -4.0268 0.3151 H 1 UNL1 0.3369 32 H 6.2079 1.4090 2.6058 H 1 UNL1 0.3348 33 H -1.2584 -2.7704 -1.5436 H 1 UNL1 0.1652 34 H -1.2227 -3.6751 1.1399 H 1 UNL1 0.3280 35 H 2.8103 0.9739 0.9902 H 1 UNL1 0.2339 36 H 3.6647 -0.6230 1.3963 H 1 UNL1 0.2241 37 H 6.3833 -0.6143 0.1817 H 1 UNL1 0.3067 38 H 0.0930 -1.7300 0.8771 H 1 UNL1 0.1796 39 H 0.2241 -1.1384 -1.9372 H 1 UNL1 0.1386 40 H -0.3864 0.3936 -1.2012 H 1 UNL1 0.1398 41 H -6.0719 2.2604 1.0989 H 1 UNL1 0.3484 @BOND 1 12 29 1 2 12 9 1 3 26 7 1 4 39 24 1 5 33 18 1 6 27 8 1 7 7 8 ar 8 7 5 ar 9 40 24 1 10 16 9 2 11 30 14 1 12 24 25 1 13 24 22 1 14 8 1 ar 15 9 25 1 16 9 20 1 17 6 5 2 18 5 4 ar 19 18 14 1 20 18 22 1 21 18 19 1 22 14 15 1 23 14 11 1 24 21 37 1 25 21 10 1 26 22 23 1 27 22 38 1 28 19 34 1 29 1 11 1 30 1 2 ar 31 13 10 2 32 31 15 1 33 4 2 ar 34 4 41 1 35 20 10 1 36 20 35 1 37 20 36 1 38 10 17 1 39 11 23 1 40 11 28 1 41 2 3 2 42 17 32 1