@MOLECULE (2r,4s,5r,6r)-5-acetamido-2-{[{[(2r,3s,4r,5r)-5-(4-amino-2-oxo-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydro-2h-pyran-2-carboxylic acid 41 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.0997 -2.4681 1.5654 C.3 1 UNL1 0.3418 2 C 3.5826 -2.5476 1.1400 C.2 1 UNL1 0.3660 3 N 4.1169 -1.4753 0.3931 N.am 1 UNL1 -0.7668 4 C 3.2438 -0.5524 -0.0728 C.2 1 UNL1 0.2102 5 C 1.8002 -0.5857 0.1895 C.2 1 UNL1 0.1878 6 O 1.3669 -1.5478 1.0816 O.2 1 UNL1 -0.1831 7 C 0.9727 0.3285 -0.3627 C.2 1 UNL1 -0.2403 8 C 1.5803 1.4608 -1.0628 C.2 1 UNL1 0.5493 9 O 0.9863 2.5014 -1.4295 O.2 1 UNL1 -0.2521 10 P -0.6220 2.9990 -0.8524 P.3 1 UNL1 0.3731 11 O -0.2592 3.8716 0.2369 O.3 1 UNL1 -0.1775 12 O -1.3034 3.0934 -2.1159 O.2 1 UNL1 -0.1414 13 O -1.0774 1.5700 -0.1358 O.2 1 UNL1 -0.2988 14 C -0.5035 0.3976 -0.3013 C.2 1 UNL1 0.4262 15 C -1.3012 -0.7093 -0.3673 C.2 1 UNL1 -0.2233 16 O -2.6960 -0.4906 -0.2440 O.2 1 UNL1 -0.1891 17 C -3.3439 -1.6790 -0.4795 C.3 1 UNL1 0.3265 18 C -2.3449 -2.8124 -0.6240 C.2 1 UNL1 0.2896 19 O -2.5844 -3.9708 -0.7210 O.2 1 UNL1 -0.2289 20 C -0.9842 -2.1020 -0.5738 C.2 1 UNL1 0.3860 21 O 0.0724 -2.6436 -0.7465 O.2 1 UNL1 -0.3942 22 N -4.5844 -1.8526 -0.6043 N.pl3 1 UNL1 -0.3810 23 C -5.7823 -1.4270 -0.3689 C.1 1 UNL1 0.2506 24 C -6.9733 -1.2406 -0.1453 C.1 1 UNL1 -0.2795 25 C -8.2753 -0.8323 0.2120 C.2 1 UNL1 0.3921 26 N -9.3563 -1.5266 0.1147 N.2 1 UNL1 -0.1776 27 N -8.3800 0.4652 0.7750 N.2 1 UNL1 -0.5068 28 C -7.5195 1.3375 0.9482 C.1 1 UNL1 0.5839 29 O -6.8656 2.2591 1.2365 O.2 1 UNL1 -0.2696 30 O 2.9014 1.4815 -1.3948 O.2 1 UNL1 -0.1554 31 C 3.6942 0.5063 -0.8384 C.3 1 UNL1 -0.1817 32 C 5.1012 0.6589 -1.0865 C.2 1 UNL1 0.4349 33 O 5.7102 1.1068 -2.0093 O.2 1 UNL1 -0.3003 34 C 5.8924 -0.0063 0.0901 C.2 1 UNL1 0.3802 35 O 6.2271 0.4829 1.1109 O.2 1 UNL1 -0.2414 36 C 6.2904 -1.4822 -0.1755 C.1 1 UNL1 0.5053 37 O 6.7610 -2.4878 -0.4004 O.2 1 UNL1 -0.0234 38 C 2.0618 2.4144 2.5177 C.1 1 UNL1 0.6899 39 O 2.1916 1.5828 1.6999 O.2 1 UNL1 -0.4113 40 O 1.9484 3.2284 3.3407 O.2 1 UNL1 -0.2800 41 O 4.2937 -3.4869 1.3935 O.2 1 UNL1 -0.3898 @BOND 1 12 10 2 2 33 32 2 3 9 8 1 4 9 10 1 5 30 8 1 6 30 31 1 7 32 31 1 8 32 34 1 9 8 7 2 10 10 13 1 11 10 11 1 12 31 4 1 13 21 20 2 14 19 18 2 15 18 20 1 16 18 17 1 17 22 17 1 18 22 23 1 19 20 15 1 20 17 16 1 21 37 36 2 22 23 24 3 23 15 14 2 24 15 16 1 25 7 14 1 26 7 5 1 27 14 13 1 28 36 34 2 29 24 25 1 30 4 5 2 31 4 3 1 32 34 35 1 33 26 25 2 34 5 6 1 35 25 27 1 36 3 2 am 37 27 28 2 38 28 29 2 39 6 1 1 40 2 41 2 41 2 1 1 42 39 38 2 43 38 40 2