@MOLECULE (2s,3s,4s,5r,6r)-6-{[{[{[(2r,3s,4r,5r)-5-(5-azido-2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)(~32~p)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic acid 61 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -1.7227 -0.5229 -2.9015 P.3 1 UNL1 0.3848 2 P -3.5758 0.2791 -0.6512 P.3 1 UNL1 0.3815 3 O 2.1581 -1.5175 -2.0452 O.3 1 UNL1 -0.3866 4 O 1.7307 -4.4170 -0.6087 O.3 1 UNL1 -0.5454 5 O -2.6031 -0.0186 2.4621 O.3 1 UNL1 -0.4580 6 O 4.1104 -3.4820 -0.5486 O.3 1 UNL1 -0.5045 7 O -0.3447 -0.5514 -2.1127 O.3 1 UNL1 -0.2679 8 O -2.3916 0.7947 0.3147 O.3 1 UNL1 -0.3622 9 O 1.0166 1.9060 2.3188 O.3 1 UNL1 -0.5892 10 O -1.3830 3.1928 1.2493 O.3 1 UNL1 -0.5318 11 O 0.8461 -0.9739 2.1029 O.3 1 UNL1 -0.5898 12 O -2.8414 0.2394 -2.0441 O.3 1 UNL1 -0.0918 13 O 4.6889 -0.4222 1.0129 O.2 1 UNL1 -0.4837 14 O -2.4186 -2.9105 2.9425 O.3 1 UNL1 -0.5687 15 O -2.1761 -2.0282 -3.1116 O.3 1 UNL1 -0.3643 16 O -1.3788 -1.8527 4.6139 O.2 1 UNL1 -0.4663 17 O -3.7421 -1.2584 -0.2549 O.3 1 UNL1 -0.4210 18 O -1.5859 0.2653 -4.1073 O.2 1 UNL1 -0.1276 19 O -4.7641 1.0943 -0.7437 O.2 1 UNL1 -0.1980 20 O 2.8088 3.7008 1.1017 O.2 1 UNL1 -0.4753 21 N 3.0591 0.0161 -0.5407 N.ar 1 UNL1 -0.4983 22 N 3.7832 1.6674 1.0370 N.ar 1 UNL1 -0.6036 23 N 0.9071 2.9367 -0.9363 N.2 1 UNL1 -0.4109 24 N 1.0543 4.0425 -1.5122 N.2 1 UNL1 0.4325 25 N 0.9245 5.0637 -1.9872 N.2 1 UNL1 -0.1676 26 C 1.7325 -3.0541 -0.2594 C.3 1 UNL1 0.0296 27 C 3.1857 -2.5134 -0.1535 C.3 1 UNL1 0.0368 28 C 1.1195 -2.3159 -1.4650 C.3 1 UNL1 0.0479 29 C 3.2284 -1.3329 -1.1673 C.3 1 UNL1 0.2441 30 C -0.1088 1.2186 1.8173 C.3 1 UNL1 0.0428 31 C -0.0485 -1.4236 -1.0200 C.3 1 UNL1 -0.0549 32 C -1.3906 2.0309 2.0222 C.3 1 UNL1 0.0338 33 C -0.1457 -0.0967 2.6134 C.3 1 UNL1 0.0936 34 C -2.6116 1.1462 1.6521 C.3 1 UNL1 0.3138 35 C -1.4663 -0.8516 2.3644 C.3 1 UNL1 0.0304 36 C 2.1856 0.9178 -1.1020 C.ar 1 UNL1 0.1847 37 C 3.9090 0.3739 0.5408 C.ar 1 UNL1 0.6847 38 C -1.7125 -1.8747 3.4642 C.2 1 UNL1 0.6179 39 C 2.0159 2.1639 -0.5530 C.ar 1 UNL1 -0.1968 40 C 2.8366 2.6160 0.5719 C.ar 1 UNL1 0.6034 41 H 1.1637 -2.9275 0.6868 H 1 UNL1 0.1607 42 H 3.5037 -2.2600 0.8804 H 1 UNL1 0.1944 43 H 0.8424 -3.0036 -2.2977 H 1 UNL1 0.1827 44 H 4.1521 -1.3246 -1.7987 H 1 UNL1 0.1776 45 H 0.0736 1.0346 0.7270 H 1 UNL1 0.1672 46 H 0.2589 -0.7162 -0.2141 H 1 UNL1 0.1521 47 H -0.8675 -2.0621 -0.6303 H 1 UNL1 0.1408 48 H -1.4914 2.4123 3.0663 H 1 UNL1 0.1697 49 H 0.0667 0.0697 3.6954 H 1 UNL1 0.1715 50 H -3.5895 1.6074 1.9271 H 1 UNL1 0.1595 51 H -1.4424 -1.3520 1.3636 H 1 UNL1 0.1787 52 H 2.2566 -4.9398 0.0407 H 1 UNL1 0.3368 53 H 3.8361 -3.9126 -1.3961 H 1 UNL1 0.3285 54 H 1.6005 0.5918 -1.9912 H 1 UNL1 0.2408 55 H 0.9180 2.8827 2.1896 H 1 UNL1 0.3620 56 H -1.0331 3.0128 0.3383 H 1 UNL1 0.3524 57 H 1.6901 -0.4872 1.9862 H 1 UNL1 0.3440 58 H 4.3731 1.9248 1.8374 H 1 UNL1 0.3554 59 H -2.6389 -3.6180 3.5965 H 1 UNL1 0.3584 60 H -2.7648 -2.3349 -2.3303 H 1 UNL1 0.3327 61 H -3.6869 -1.3735 0.7583 H 1 UNL1 0.3363 @BOND 1 18 1 2 2 15 1 1 3 15 60 1 4 1 7 1 5 1 12 1 6 43 28 1 7 7 31 1 8 3 28 1 9 3 29 1 10 12 2 1 11 54 36 1 12 25 24 2 13 44 29 1 14 24 23 2 15 28 31 1 16 28 26 1 17 53 6 1 18 29 21 1 19 29 27 1 20 36 39 ar 21 36 21 ar 22 31 47 1 23 31 46 1 24 23 39 1 25 19 2 2 26 2 17 1 27 2 8 1 28 4 26 1 29 4 52 1 30 39 40 ar 31 6 27 1 32 21 37 ar 33 26 27 1 34 26 41 1 35 17 61 1 36 27 42 1 37 8 34 1 38 56 10 1 39 37 13 2 40 37 22 ar 41 40 22 ar 42 40 20 2 43 45 30 1 44 22 58 1 45 10 32 1 46 51 35 1 47 34 50 1 48 34 32 1 49 34 5 1 50 30 32 1 51 30 9 1 52 30 33 1 53 57 11 1 54 32 48 1 55 11 33 1 56 55 9 1 57 35 5 1 58 35 33 1 59 35 38 1 60 33 49 1 61 14 38 1 62 14 59 1 63 38 16 2