@MOLECULE 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxyethyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium 52 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.4316 -1.4364 1.7438 S.3 1 UNL1 0.9564 2 P -2.7961 0.7743 -1.3217 P.3 1 UNL1 0.1644 3 P -1.3232 1.5061 1.2760 P.3 1 UNL1 0.2061 4 O 2.2964 -0.1805 2.4582 O.3 1 UNL1 -0.5819 5 O -3.2806 -0.7675 -1.1499 O.3 1 UNL1 -0.3284 6 O -1.8544 1.2993 -0.1748 O.3 1 UNL1 0.0096 7 O -4.1734 1.5957 -1.1993 O.3 1 UNL1 -0.3662 8 O -2.1336 0.8245 -2.6438 O.2 1 UNL1 -0.2899 9 O -0.0873 2.5422 1.3213 O.3 1 UNL1 -0.3784 10 O -2.3266 2.1702 2.3369 O.3 1 UNL1 -0.2679 11 O -0.7952 0.2378 2.0445 O.3 1 UNL1 -0.5553 12 N 0.8077 -1.8759 -0.4402 N.pl3 1 UNL1 -0.2539 13 N 4.1501 1.2335 -1.0027 N.2 1 UNL1 -0.5698 14 N 1.8627 1.9221 -0.8959 N.2 1 UNL1 -0.5285 15 N 4.7794 -0.8739 -1.6939 N.3 1 UNL1 -0.5897 16 C -0.5136 -2.1956 -0.7008 C.2 1 UNL1 0.2108 17 C 1.0260 -1.5022 0.8833 C.3 1 UNL1 -0.3869 18 C -1.3263 -2.0923 0.4182 C.2 1 UNL1 -0.3725 19 C 1.8274 -1.7317 -1.4987 C.3 1 UNL1 -0.0378 20 C 2.3591 -1.1988 1.4718 C.3 1 UNL1 0.2148 21 C -2.7534 -2.4625 0.4695 C.3 1 UNL1 -0.2600 22 C -0.9380 -2.6380 -2.0474 C.3 1 UNL1 -0.4540 23 C 2.3749 -0.3443 -1.4942 C.3 1 UNL1 -0.3946 24 C -3.7195 -1.3063 0.0964 C.3 1 UNL1 0.0051 25 C 2.9865 -2.3900 2.2039 C.3 1 UNL1 -0.4653 26 C 3.7525 -0.0140 -1.4173 C.3 1 UNL1 0.4477 27 C 1.4745 0.7242 -1.3514 C.2 1 UNL1 0.2065 28 C 3.1955 2.1226 -0.6712 C.2 1 UNL1 0.4508 29 C 3.6145 3.3950 -0.0185 C.3 1 UNL1 -0.4451 30 H 1.3731 -1.9742 -2.4927 H 1 UNL1 0.1674 31 H 2.6209 -2.4925 -1.3142 H 1 UNL1 0.1414 32 H 3.0786 -0.8175 0.7094 H 1 UNL1 0.1226 33 H -2.9407 -3.3076 -0.2281 H 1 UNL1 0.1414 34 H -3.0437 -2.8460 1.4667 H 1 UNL1 0.1377 35 H -0.7450 -1.8714 -2.8202 H 1 UNL1 0.1868 36 H -2.0343 -2.7861 -2.0832 H 1 UNL1 0.1913 37 H -0.4682 -3.5807 -2.3518 H 1 UNL1 0.1493 38 H -3.8439 -0.6080 0.9440 H 1 UNL1 0.1380 39 H -4.7239 -1.7147 -0.1487 H 1 UNL1 0.1087 40 H 3.9756 -2.1126 2.5938 H 1 UNL1 0.1573 41 H 2.3794 -2.6902 3.0663 H 1 UNL1 0.1617 42 H 3.0999 -3.2501 1.5422 H 1 UNL1 0.1409 43 H 0.3972 0.6055 -1.5640 H 1 UNL1 0.2178 44 H 1.6044 0.4845 2.2598 H 1 UNL1 0.3441 45 H 5.7277 -0.5503 -1.6152 H 1 UNL1 0.3272 46 H 4.6208 -1.7749 -2.0739 H 1 UNL1 0.3083 47 H 4.6980 3.5626 -0.1126 H 1 UNL1 0.1785 48 H 3.0885 4.2615 -0.4485 H 1 UNL1 0.1839 49 H 3.3747 3.3668 1.0623 H 1 UNL1 0.1874 50 H -4.7520 1.4016 -2.0130 H 1 UNL1 0.3011 51 H 0.3979 2.5523 0.4083 H 1 UNL1 0.3564 52 H -1.8619 2.1770 3.2531 H 1 UNL1 0.3046 @BOND 1 35 22 1 2 8 2 2 3 30 19 1 4 37 22 1 5 36 22 1 6 46 15 1 7 22 16 1 8 50 7 1 9 15 45 1 10 15 26 1 11 43 27 1 12 19 23 1 13 19 31 1 14 19 12 1 15 23 26 1 16 23 27 1 17 26 13 1 18 27 14 2 19 2 7 1 20 2 5 1 21 2 6 1 22 5 24 1 23 13 28 2 24 14 28 1 25 16 12 1 26 16 18 2 27 28 29 1 28 48 29 1 29 12 17 1 30 33 21 1 31 6 3 1 32 39 24 1 33 47 29 1 34 29 49 1 35 24 21 1 36 24 38 1 37 51 9 1 38 18 21 1 39 18 1 1 40 21 34 1 41 32 20 1 42 17 20 1 43 17 1 1 44 3 9 1 45 3 11 1 46 3 10 1 47 20 25 1 48 20 4 1 49 42 25 1 50 1 11 1 51 25 40 1 52 25 41 1 53 44 4 1 54 10 52 1