@MOLECULE thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-[[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]oxy]ethyl]-4-methyl-, inner salt, ion(3-) 30 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.6863 -2.8946 -1.5963 S.3 1 UNL1 -0.0271 2 P 4.1697 1.3043 -1.0189 P.3 1 UNL1 0.4515 3 P 2.1079 1.4490 1.2848 P.3 1 UNL1 0.3589 4 P 2.2604 -1.6267 1.5513 P.3 1 UNL1 0.2954 5 O 3.4157 -0.0717 -1.8026 O.3 1 UNL1 -0.1906 6 O 3.2854 1.7075 0.1167 O.3 1 UNL1 -0.2214 7 O 4.3943 2.2502 -2.1311 O.2 1 UNL1 -0.1331 8 O 5.5076 0.6712 -0.9589 O.3 1 UNL1 -0.0583 9 O 2.3612 0.0509 1.7782 O.3 1 UNL1 -0.1348 10 O 0.8402 1.9962 0.7213 O.2 1 UNL1 -0.2327 11 O 2.5101 2.6432 2.0955 O.3 1 UNL1 -0.0410 12 O 2.9520 -1.7796 2.8203 O.3 1 UNL1 -0.1611 13 O 2.7792 -1.9240 0.1718 O.2 1 UNL1 -0.2359 14 O 0.8498 -1.9936 1.2104 O.3 1 UNL1 -0.2477 15 N -2.3956 -1.3237 -0.5099 N.pl3 1 UNL1 -0.2196 16 N -6.8429 0.7233 0.7452 N.2 1 UNL1 -0.3686 17 N -5.7319 1.8965 -1.1030 N.2 1 UNL1 -0.3729 18 N -5.5812 -0.8659 1.9288 N.2 1 UNL1 -0.1817 19 C -1.2140 -0.4933 -0.6400 C.2 1 UNL1 -0.5550 20 C -0.1463 -1.2137 -1.2812 C.2 1 UNL1 0.3411 21 C -3.5506 -0.8381 -0.0882 C.3 1 UNL1 0.1859 22 C 1.0488 -0.7591 -1.6009 C.1 1 UNL1 -0.5448 23 C -2.2894 -2.6433 -0.8935 C.3 1 UNL1 0.3059 24 C -4.5286 0.0348 -0.0424 C.3 1 UNL1 -0.2295 25 C 2.2601 -0.4180 -1.6693 C.1 1 UNL1 0.6057 26 C -1.0076 0.7619 -0.1504 C.3 1 UNL1 0.7152 27 C -5.6800 -0.0727 0.9480 C.2 1 UNL1 0.2667 28 C -4.7732 1.1267 -0.9214 C.2 1 UNL1 0.1972 29 C -6.8637 1.6483 -0.2204 C.2 1 UNL1 -0.1290 30 C -7.9654 2.4561 -0.4601 C.3 1 UNL1 0.5613 @BOND 1 7 2 2 2 5 25 1 3 5 2 1 4 25 22 3 5 22 20 1 6 1 20 1 7 1 23 1 8 20 19 2 9 17 28 2 10 17 29 1 11 2 8 1 12 2 6 1 13 28 24 1 14 23 15 1 15 19 15 1 16 19 26 1 17 15 21 1 18 30 29 1 19 29 16 2 20 21 24 1 21 24 27 1 22 6 3 1 23 13 4 2 24 10 3 2 25 16 27 1 26 27 18 2 27 14 4 1 28 3 9 1 29 3 11 1 30 4 9 1 31 4 12 1