@MOLECULE 1-[5-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-d-arabinofuranosyl]-5-methyl-2,4(1h,3h)-pyrimidinedione 47 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.1168 -1.7400 -1.1976 P.3 1 UNL1 0.3603 2 P 3.7422 0.3532 0.3423 P.3 1 UNL1 0.4142 3 P 1.3217 1.8762 1.4106 P.3 1 UNL1 0.4006 4 O -1.3237 -1.2631 1.1649 O.3 1 UNL1 -0.4030 5 O -2.8183 -4.0844 1.4165 O.3 1 UNL1 -0.5447 6 O -4.0227 -1.7355 -0.7775 O.3 1 UNL1 -0.5398 7 O 0.8841 -1.8979 -0.1602 O.3 1 UNL1 -0.3074 8 O -4.5544 1.1002 1.1159 O.2 1 UNL1 -0.5372 9 O 3.1199 -0.9791 -0.2621 O.3 1 UNL1 -0.2143 10 O 2.8232 -3.1681 -1.1824 O.3 1 UNL1 -0.3270 11 O 1.7742 -1.2920 -2.5337 O.2 1 UNL1 -0.2750 12 O -2.5749 3.8988 -1.8500 O.2 1 UNL1 -0.4788 13 O 2.6547 1.0439 1.2266 O.3 1 UNL1 -0.2072 14 O 4.1664 1.2852 -0.8553 O.3 1 UNL1 -0.3120 15 O 4.8343 -0.1412 1.1531 O.2 1 UNL1 -0.1350 16 O 1.2739 2.9109 0.2046 O.3 1 UNL1 -0.3482 17 O 0.0677 0.9673 1.0825 O.3 1 UNL1 -0.4310 18 O 1.4116 2.4245 2.7437 O.2 1 UNL1 -0.1668 19 N -2.6316 0.3810 0.1222 N.ar 1 UNL1 -0.4842 20 N -3.5740 2.5159 -0.3914 N.ar 1 UNL1 -0.6214 21 C -2.5695 -3.1564 0.3882 C.3 1 UNL1 0.0698 22 C -3.5285 -1.9480 0.5180 C.3 1 UNL1 0.0344 23 C -1.1657 -2.5930 0.6775 C.3 1 UNL1 0.0605 24 C -2.6342 -0.7818 1.0367 C.3 1 UNL1 0.2580 25 C -0.2992 -2.5923 -0.5941 C.3 1 UNL1 -0.0628 26 C -1.6023 0.6138 -0.7750 C.ar 1 UNL1 0.1903 27 C -3.6445 1.3412 0.3459 C.ar 1 UNL1 0.6897 28 C -1.5484 1.7610 -1.5047 C.ar 1 UNL1 -0.2947 29 C -2.5313 2.8134 -1.3214 C.ar 1 UNL1 0.6039 30 C -0.5066 1.9892 -2.5371 C.3 1 UNL1 -0.4062 31 H -2.6673 -3.6496 -0.6023 H 1 UNL1 0.1537 32 H -4.3763 -2.1458 1.2072 H 1 UNL1 0.1565 33 H -0.6580 -3.1123 1.5255 H 1 UNL1 0.1801 34 H -2.9177 -0.4326 2.0677 H 1 UNL1 0.1811 35 H -0.8096 -2.0705 -1.4312 H 1 UNL1 0.1396 36 H -0.0962 -3.6412 -0.8992 H 1 UNL1 0.1367 37 H -3.6078 -4.6286 1.2155 H 1 UNL1 0.3266 38 H -4.5675 -0.9158 -0.8138 H 1 UNL1 0.3382 39 H -0.8468 -0.1823 -0.8728 H 1 UNL1 0.2118 40 H -4.2956 3.2226 -0.2247 H 1 UNL1 0.3469 41 H -0.9077 1.8174 -3.5488 H 1 UNL1 0.1578 42 H 0.3636 1.3231 -2.4232 H 1 UNL1 0.1730 43 H -0.1367 3.0275 -2.5249 H 1 UNL1 0.1633 44 H 3.3204 -3.2889 -0.2888 H 1 UNL1 0.3232 45 H 3.3409 1.7927 -1.2050 H 1 UNL1 0.3275 46 H 0.3590 2.8105 -0.2629 H 1 UNL1 0.3300 47 H 0.2841 -0.0344 1.1643 H 1 UNL1 0.3689 @BOND 1 41 30 1 2 30 43 1 3 30 42 1 4 30 28 1 5 11 1 2 6 12 29 2 7 28 29 ar 8 28 26 ar 9 35 25 1 10 29 20 ar 11 45 14 1 12 1 10 1 13 1 9 1 14 1 7 1 15 10 44 1 16 36 25 1 17 39 26 1 18 14 2 1 19 38 6 1 20 6 22 1 21 26 19 ar 22 31 21 1 23 25 7 1 24 25 23 1 25 20 40 1 26 20 27 ar 27 46 16 1 28 9 2 1 29 19 27 ar 30 19 24 1 31 16 3 1 32 2 15 2 33 2 13 1 34 27 8 2 35 21 22 1 36 21 23 1 37 21 5 1 38 22 24 1 39 22 32 1 40 23 4 1 41 23 33 1 42 24 4 1 43 24 34 1 44 17 47 1 45 17 3 1 46 37 5 1 47 13 3 1 48 3 18 2