@MOLECULE [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2r,3r,4r,5s,6r)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate 59 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 5.1243 -0.9742 0.5044 N.ar 1 UNL1 -0.4823 2 C 4.4861 -1.3017 -0.7142 C.ar 1 UNL1 0.7220 3 N 4.7848 -2.5461 -1.2641 N.ar 1 UNL1 -0.6261 4 C 5.6560 -3.5018 -0.6555 C.ar 1 UNL1 0.6201 5 C 6.2609 -3.0711 0.5901 C.ar 1 UNL1 -0.4289 6 C 5.9759 -1.8660 1.1357 C.ar 1 UNL1 0.1725 7 O 3.7495 -0.5116 -1.2688 O.2 1 UNL1 -0.5441 8 O 5.8052 -4.5525 -1.2308 O.2 1 UNL1 -0.4677 9 C 4.7828 0.2891 1.1864 C.3 1 UNL1 0.2603 10 C 4.9239 1.5241 0.2560 C.3 1 UNL1 0.0723 11 O 5.8411 2.3721 0.8922 O.3 1 UNL1 -0.5488 12 C 3.4794 2.0851 0.1417 C.3 1 UNL1 0.0782 13 C 2.6157 1.1932 1.0492 C.3 1 UNL1 0.0266 14 O 3.4515 0.1785 1.6154 O.3 1 UNL1 -0.4223 15 O 3.5290 3.4117 0.6208 O.3 1 UNL1 -0.5864 16 C 1.4629 0.4708 0.3266 C.3 1 UNL1 -0.0359 17 O 0.2248 1.1071 0.6436 O.3 1 UNL1 -0.2804 18 P -0.3806 2.4131 -0.0532 P.3 1 UNL1 0.3702 19 O -0.7746 3.3247 0.9988 O.2 1 UNL1 -0.2006 20 O 0.6931 2.9732 -1.0893 O.3 1 UNL1 -0.3510 21 O -1.3767 1.8324 -1.1350 O.3 1 UNL1 -0.2251 22 P -2.8378 1.4187 -1.6002 P.3 1 UNL1 0.3714 23 O -3.4689 2.4245 -2.4233 O.2 1 UNL1 -0.1756 24 O -2.5462 0.0942 -2.3978 O.3 1 UNL1 -0.2782 25 O -3.4156 1.1650 -0.1326 O.3 1 UNL1 -0.3609 26 C -4.5525 0.4186 0.2143 C.3 1 UNL1 0.3030 27 C -4.3159 0.0221 1.7005 C.3 1 UNL1 0.0452 28 C -5.1326 -1.2382 2.0853 C.3 1 UNL1 0.0823 29 C -5.1934 -2.3135 0.9736 C.3 1 UNL1 0.0146 30 C -4.2361 -1.9204 -0.1791 C.3 1 UNL1 0.0513 31 C -4.3067 -2.8085 -1.4248 C.3 1 UNL1 -0.0245 32 O -2.9944 -0.3617 1.9777 O.3 1 UNL1 -0.5639 33 O -6.4678 -0.8043 2.2591 O.3 1 UNL1 -0.5583 34 O -4.7179 -0.6716 -0.6486 O.3 1 UNL1 -0.4301 35 O -3.0189 -2.6693 -2.0194 O.3 1 UNL1 -0.5662 36 F -4.8083 -3.5026 1.4980 F 1 UNL1 -0.2102 37 H 4.3369 -2.7910 -2.1496 H 1 UNL1 0.3441 38 H 6.9449 -3.7783 1.0552 H 1 UNL1 0.2058 39 H 6.4162 -1.5271 2.0846 H 1 UNL1 0.1758 40 H 5.4032 0.3882 2.1153 H 1 UNL1 0.1661 41 H 5.3712 1.2857 -0.7309 H 1 UNL1 0.1641 42 H 5.4267 3.2558 1.0528 H 1 UNL1 0.3557 43 H 3.1347 2.1232 -0.9151 H 1 UNL1 0.1666 44 H 2.2471 1.7513 1.9432 H 1 UNL1 0.1646 45 H 2.6548 3.6992 0.9646 H 1 UNL1 0.3557 46 H 1.2881 -0.5273 0.7976 H 1 UNL1 0.1569 47 H 1.6573 0.3219 -0.7501 H 1 UNL1 0.1570 48 H 0.4439 2.6708 -2.0431 H 1 UNL1 0.3392 49 H -2.4806 -0.7242 -1.7673 H 1 UNL1 0.3406 50 H -5.4889 1.0092 0.0749 H 1 UNL1 0.1465 51 H -4.5819 0.8776 2.3629 H 1 UNL1 0.1418 52 H -4.7176 -1.6549 3.0337 H 1 UNL1 0.1546 53 H -6.2509 -2.4110 0.6012 H 1 UNL1 0.1697 54 H -3.1797 -1.8409 0.1814 H 1 UNL1 0.1813 55 H -5.0844 -2.4555 -2.1280 H 1 UNL1 0.1407 56 H -4.4597 -3.8745 -1.1867 H 1 UNL1 0.1361 57 H -2.3436 0.2916 1.6171 H 1 UNL1 0.3651 58 H -6.6448 -0.5747 3.1934 H 1 UNL1 0.3240 59 H -3.0459 -2.9315 -2.9616 H 1 UNL1 0.3254 @BOND 1 59 35 1 2 23 22 2 3 24 49 1 4 24 22 1 5 37 3 1 6 55 31 1 7 48 20 1 8 35 31 1 9 22 21 1 10 22 25 1 11 31 56 1 12 31 30 1 13 7 2 2 14 3 2 ar 15 3 4 ar 16 8 4 2 17 21 18 1 18 20 18 1 19 43 12 1 20 47 16 1 21 41 10 1 22 2 1 ar 23 4 5 ar 24 34 30 1 25 34 26 1 26 30 54 1 27 30 29 1 28 25 26 1 29 18 17 1 30 18 19 2 31 50 26 1 32 12 10 1 33 12 15 1 34 12 13 1 35 26 27 1 36 10 11 1 37 10 9 1 38 16 17 1 39 16 46 1 40 16 13 1 41 1 6 ar 42 1 9 1 43 5 38 1 44 5 6 ar 45 53 29 1 46 15 45 1 47 11 42 1 48 29 36 1 49 29 28 1 50 13 14 1 51 13 44 1 52 6 39 1 53 9 14 1 54 9 40 1 55 57 32 1 56 27 32 1 57 27 28 1 58 27 51 1 59 28 33 1 60 28 52 1 61 33 58 1