@MOLECULE 3-[(4-hydroxy-2-methyl-5-pyrimidinyl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium 26 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.7886 -0.0620 0.1252 C.2 1 UNL1 -0.3440 2 C -4.1825 -1.5139 0.3025 C.2 1 UNL1 0.5545 3 C -4.9415 0.7354 -0.0816 C.2 1 UNL1 0.2254 4 N -5.5641 -1.8468 0.2156 N.am 1 UNL1 -0.4583 5 O -3.3769 -2.3820 0.5084 O.2 1 UNL1 -0.3411 6 N -6.1667 0.5045 -0.1548 N.2 1 UNL1 -0.3872 7 C -6.4897 -0.9052 0.0051 C.2 1 UNL1 -0.0959 8 C -7.8447 -1.2026 -0.0765 C.3 1 UNL1 0.5318 9 C -2.1865 2.9543 -0.2069 C.3 1 UNL1 0.3418 10 S -0.4501 3.6454 -0.2670 S.3 1 UNL1 -0.1571 11 C -0.5904 1.1266 0.1252 C.2 1 UNL1 -0.3321 12 C -1.0160 -0.2383 0.3461 C.3 1 UNL1 0.3955 13 C 0.3717 2.0799 -0.0064 C.2 1 UNL1 0.2328 14 C 1.7236 1.9126 0.0329 C.1 1 UNL1 -0.3937 15 N -1.9720 1.6572 -0.0059 N.pl3 1 UNL1 -0.4383 16 C 2.9185 1.6372 0.0681 C.1 1 UNL1 0.3689 17 O 4.1749 1.4182 0.0811 O.3 1 UNL1 -0.1634 18 O 5.3678 -0.2543 1.5816 O.3 1 UNL1 -0.0750 19 O 3.3880 -0.9445 0.1755 O.3 1 UNL1 -0.3344 20 O 1.0807 -1.5082 0.5650 O.3 1 UNL1 0.0625 21 O 2.1449 -1.6849 -1.8863 O.2 1 UNL1 -0.0671 22 P 2.2017 -1.8107 -0.3963 P.3 1 UNL1 0.4320 23 O 2.4081 -3.2714 -0.2344 O.3 1 UNL1 -0.1173 24 P 4.6861 -0.1457 0.2753 P.3 1 UNL1 0.4698 25 O 5.8055 -0.3233 -0.6676 O.2 1 UNL1 -0.0825 26 C -2.5190 0.3459 0.1627 C.2 1 UNL1 0.1725 @BOND 1 21 22 2 2 25 24 2 3 22 23 1 4 22 19 1 5 22 20 1 6 10 9 1 7 10 13 1 8 9 15 1 9 6 3 2 10 6 7 1 11 3 1 1 12 8 7 1 13 13 14 1 14 13 11 2 15 15 11 1 16 15 26 1 17 7 4 2 18 14 16 3 19 16 17 1 20 17 24 1 21 1 26 2 22 1 2 1 23 11 12 1 24 26 12 1 25 19 24 1 26 4 2 1 27 24 18 1 28 2 5 2