@MOLECULE [(2s,3s,4s,5r,6r)-6-{[{[{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl]methanesulfonic acid 63 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -4.9727 -1.6470 -0.6661 S.3 1 UNL1 2.4028 2 P -2.4795 2.5015 0.4361 P.3 1 UNL1 0.3935 3 P -0.0687 3.4600 -1.0966 P.3 1 UNL1 0.3599 4 O 2.8196 0.5893 0.6293 O.3 1 UNL1 -0.4289 5 O -2.9741 -0.6253 1.6334 O.3 1 UNL1 -0.4636 6 O -1.7524 1.1162 0.8032 O.3 1 UNL1 -0.3790 7 O -0.9818 -3.1580 0.0583 O.3 1 UNL1 -0.5585 8 O 5.2370 2.4490 0.8961 O.3 1 UNL1 -0.5495 9 O 6.2718 0.2903 -0.1339 O.3 1 UNL1 -0.4863 10 O 0.8151 -2.0590 2.0020 O.3 1 UNL1 -0.5675 11 O 0.2785 0.7126 2.6176 O.3 1 UNL1 -0.5361 12 O 0.8045 2.1821 -0.6719 O.3 1 UNL1 -0.2336 13 O -1.2543 3.3936 -0.0507 O.3 1 UNL1 -0.0673 14 O -5.8491 -2.9975 -1.0435 O.3 1 UNL1 -0.8478 15 O -5.8905 -0.7585 -0.0081 O.3 1 UNL1 -0.8931 16 O -4.3026 -1.1720 -1.8506 O.3 1 UNL1 -0.9156 17 O -3.3010 2.1891 -0.8718 O.3 1 UNL1 -0.3050 18 O 4.8681 -2.7260 1.0251 O.2 1 UNL1 -0.4891 19 O -3.0905 3.2918 1.4849 O.2 1 UNL1 -0.1974 20 O -0.5474 2.9880 -2.5382 O.3 1 UNL1 -0.3654 21 O 0.5417 4.7726 -0.9790 O.2 1 UNL1 -0.2792 22 O 2.2069 -4.8971 -1.9397 O.2 1 UNL1 -0.4672 23 N 3.4379 -1.4550 -0.2357 N.ar 1 UNL1 -0.4907 24 N 3.5414 -3.8350 -0.4704 N.ar 1 UNL1 -0.6215 25 C 4.5159 2.0242 -0.2371 C.3 1 UNL1 0.0360 26 C -1.3474 -2.3222 1.1312 C.3 1 UNL1 0.0799 27 C -2.5728 -1.5291 0.6135 C.3 1 UNL1 0.1206 28 C 4.9563 0.5525 -0.4753 C.3 1 UNL1 0.0742 29 C 3.0174 1.8975 0.0919 C.3 1 UNL1 0.0239 30 C -0.2324 -1.3056 1.4269 C.3 1 UNL1 0.0302 31 C 3.9462 -0.2386 0.4163 C.3 1 UNL1 0.2384 32 C -0.7158 -0.2498 2.4306 C.3 1 UNL1 0.0230 33 C -2.0562 0.3868 1.9694 C.3 1 UNL1 0.3154 34 C -3.7950 -2.4191 0.4043 C.3 1 UNL1 -0.6094 35 C 2.1484 2.0564 -1.1655 C.3 1 UNL1 -0.0722 36 C 4.0094 -2.6927 0.1728 C.ar 1 UNL1 0.7046 37 C 2.3418 -1.4185 -1.0777 C.ar 1 UNL1 0.1653 38 C 1.8579 -2.5498 -1.6461 C.ar 1 UNL1 -0.4527 39 C 2.4824 -3.8393 -1.4267 C.ar 1 UNL1 0.6183 40 H -1.5723 -2.9605 2.0110 H 1 UNL1 0.1480 41 H 4.7526 2.6915 -1.0860 H 1 UNL1 0.1464 42 H -2.2759 -0.9781 -0.3158 H 1 UNL1 0.1704 43 H 4.9055 0.2624 -1.5473 H 1 UNL1 0.1642 44 H 2.6855 2.5639 0.9209 H 1 UNL1 0.1770 45 H 0.1435 -0.8240 0.4934 H 1 UNL1 0.1491 46 H 4.3649 -0.4880 1.4272 H 1 UNL1 0.1879 47 H -0.8380 -0.6842 3.4513 H 1 UNL1 0.1665 48 H -2.5810 0.9217 2.7978 H 1 UNL1 0.1591 49 H -4.2543 -2.6820 1.3823 H 1 UNL1 0.2023 50 H -3.4553 -3.3967 -0.0243 H 1 UNL1 0.2222 51 H 2.1261 1.1229 -1.7746 H 1 UNL1 0.1391 52 H 2.5436 2.8635 -1.8158 H 1 UNL1 0.1467 53 H -0.0336 -3.4090 0.1341 H 1 UNL1 0.3441 54 H 4.8383 3.2518 1.2854 H 1 UNL1 0.3337 55 H 6.4985 0.6640 0.7555 H 1 UNL1 0.3403 56 H 1.5461 -1.4507 2.2626 H 1 UNL1 0.3424 57 H 0.4807 1.1848 1.7725 H 1 UNL1 0.3454 58 H 1.8799 -0.4301 -1.2536 H 1 UNL1 0.1905 59 H 3.9778 -4.7264 -0.2202 H 1 UNL1 0.3488 60 H 0.9844 -2.5451 -2.3032 H 1 UNL1 0.2088 61 H -6.7215 -2.8741 -1.4366 H 1 UNL1 0.3916 62 H -3.5378 1.1859 -0.9208 H 1 UNL1 0.3411 63 H -1.2543 3.6444 -2.8883 H 1 UNL1 0.3251 @BOND 1 63 20 1 2 20 3 1 3 60 38 1 4 22 39 2 5 16 1 1 6 52 35 1 7 51 35 1 8 38 39 ar 9 38 37 ar 10 43 28 1 11 61 14 1 12 39 24 ar 13 58 37 1 14 35 12 1 15 35 29 1 16 3 21 2 17 3 12 1 18 3 13 1 19 41 25 1 20 37 23 ar 21 14 1 1 22 62 17 1 23 17 2 1 24 1 15 1 25 1 34 1 26 28 25 1 27 28 9 1 28 28 31 1 29 24 59 1 30 24 36 ar 31 42 27 1 32 25 29 1 33 25 8 1 34 23 36 ar 35 23 31 1 36 9 55 1 37 13 2 1 38 50 34 1 39 7 53 1 40 7 26 1 41 29 4 1 42 29 44 1 43 36 18 2 44 34 27 1 45 34 49 1 46 31 4 1 47 31 46 1 48 2 6 1 49 2 19 2 50 45 30 1 51 27 26 1 52 27 5 1 53 6 33 1 54 8 54 1 55 26 30 1 56 26 40 1 57 30 10 1 58 30 32 1 59 5 33 1 60 57 11 1 61 33 32 1 62 33 48 1 63 10 56 1 64 32 11 1 65 32 47 1