@MOLECULE 3-[(4-amino-2-methoxy-5-pyrimidinyl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium 43 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.5893 0.8120 -1.3514 S.3 1 UNL1 0.9548 2 P -0.0142 -0.8494 1.8884 P.3 1 UNL1 0.2125 3 P -1.4130 -1.9504 -0.6638 P.3 1 UNL1 0.3056 4 O -0.8518 0.5205 1.9848 O.3 1 UNL1 -0.3098 5 O -0.4179 -1.4088 0.3295 O.3 1 UNL1 -0.1124 6 O 3.9187 -1.5619 0.1017 O.2 1 UNL1 -0.2407 7 O -0.3514 -1.8440 2.8951 O.3 1 UNL1 -0.2585 8 O 1.2734 -0.4320 1.3124 O.2 1 UNL1 -0.1808 9 O -2.3797 -0.9520 -1.2932 O.3 1 UNL1 -0.4834 10 O -2.0464 -3.3986 -0.6167 O.3 1 UNL1 -0.0492 11 O -0.9206 -3.0542 -1.6814 O.3 1 UNL1 -0.0376 12 N -0.5972 2.3700 -1.2029 N.pl3 1 UNL1 -0.2392 13 N 3.4301 0.6310 0.3049 N.2 1 UNL1 -0.5510 14 N 2.3438 -0.6900 -1.4173 N.2 1 UNL1 -0.5339 15 N 2.9851 2.8689 0.5956 N.3 1 UNL1 -0.5986 16 C -1.1197 2.3435 0.0755 C.2 1 UNL1 0.2386 17 C -2.2752 1.5747 0.1601 C.2 1 UNL1 -0.3735 18 C 0.7986 2.7267 -1.5124 C.3 1 UNL1 -0.0277 19 C -3.0447 1.3072 1.3894 C.3 1 UNL1 -0.2618 20 C -1.3339 1.5966 -2.0968 C.3 1 UNL1 -0.4591 21 C -0.4888 3.1161 1.1704 C.3 1 UNL1 -0.4521 22 C -2.1892 0.5891 2.4791 C.3 1 UNL1 0.0022 23 C 1.7193 1.6222 -1.1197 C.2 1 UNL1 -0.4132 24 C 2.6726 1.7044 -0.0728 C.3 1 UNL1 0.4810 25 C 1.6184 0.3756 -1.7671 C.2 1 UNL1 0.2169 26 C 3.1887 -0.5301 -0.3479 C.1 1 UNL1 0.5821 27 C 3.4863 -2.8538 -0.3539 C.3 1 UNL1 -0.1908 28 H 0.8738 2.9312 -2.6098 H 1 UNL1 0.1548 29 H 1.0438 3.6908 -1.0139 H 1 UNL1 0.1388 30 H -3.4340 2.2587 1.8092 H 1 UNL1 0.1350 31 H -3.9461 0.6926 1.1884 H 1 UNL1 0.1448 32 H -1.0641 1.5383 -3.1337 H 1 UNL1 0.1886 33 H 0.4405 2.6198 1.5129 H 1 UNL1 0.1959 34 H -0.2625 4.1514 0.8912 H 1 UNL1 0.1461 35 H -1.1385 3.1449 2.0623 H 1 UNL1 0.1806 36 H -2.1084 1.2200 3.3884 H 1 UNL1 0.1128 37 H -2.6613 -0.3714 2.7629 H 1 UNL1 0.1366 38 H 0.9291 0.2288 -2.6106 H 1 UNL1 0.1717 39 H 3.6137 2.8072 1.3818 H 1 UNL1 0.3236 40 H 2.3532 3.6365 0.5877 H 1 UNL1 0.2935 41 H 4.1514 -3.5162 0.2102 H 1 UNL1 0.1415 42 H 3.6282 -2.9495 -1.4341 H 1 UNL1 0.1423 43 H 2.4330 -3.0230 -0.0883 H 1 UNL1 0.1733 @BOND 1 32 20 1 2 38 25 1 3 28 18 1 4 20 1 1 5 20 12 1 6 25 14 1 7 25 23 2 8 11 3 1 9 11 10 1 10 18 12 1 11 18 23 1 12 18 29 1 13 42 27 1 14 14 26 2 15 1 9 1 16 1 17 1 17 9 3 1 18 12 16 1 19 23 24 1 20 3 10 1 21 3 5 1 22 27 43 1 23 27 6 1 24 27 41 1 25 26 6 1 26 26 13 2 27 24 13 1 28 24 15 1 29 16 17 2 30 16 21 1 31 17 19 1 32 5 2 1 33 40 15 1 34 15 39 1 35 34 21 1 36 21 33 1 37 21 35 1 38 31 19 1 39 8 2 2 40 19 30 1 41 19 22 1 42 2 4 1 43 2 7 1 44 4 22 1 45 22 37 1 46 22 36 1