@MOLECULE 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-[(1r)-1-hydroxy-3-methylbutyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium 32 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.6006 2.5264 -0.8912 S.3 1 UNL1 0.5510 2 P -4.9439 -1.9195 -0.1689 P.3 1 UNL1 0.3704 3 P -4.5293 1.0781 0.5787 P.3 1 UNL1 0.2983 4 O 3.4401 1.1670 -2.4508 O.2 1 UNL1 -0.4827 5 O -3.1896 -2.4484 -0.1766 O.3 1 UNL1 -0.1685 6 O -4.5815 -0.3756 0.0671 O.3 1 UNL1 -0.3591 7 O -5.3206 -2.5791 1.0537 O.3 1 UNL1 -0.1548 8 O -5.2158 -2.0129 -1.5841 O.2 1 UNL1 -0.1701 9 O -5.9820 1.7329 0.7807 O.3 1 UNL1 -0.0592 10 O -3.1934 1.9418 0.0394 O.3 1 UNL1 0.0804 11 O -5.1667 1.2903 2.0393 O.3 1 UNL1 -0.0768 12 N 0.9442 -0.0276 -0.8334 N.pl3 1 UNL1 -0.3648 13 N 6.7752 -1.3002 1.3063 N.2 1 UNL1 -0.2881 14 N 5.3886 -1.5615 -0.8234 N.pl3 1 UNL1 -0.5039 15 N 5.3299 -1.3332 3.3564 N.1 1 UNL1 -0.2085 16 C 3.1236 1.3030 -1.2916 C.2 1 UNL1 0.5244 17 C 3.8019 1.5554 -0.1356 C.3 1 UNL1 -0.5947 18 C 1.5904 1.1734 -1.0078 C.3 1 UNL1 0.0409 19 C 3.5059 1.7125 1.2802 C.2 1 UNL1 -0.7752 20 C -0.4716 0.1416 -0.5962 C.2 1 UNL1 0.5437 21 C -0.7991 1.5458 -0.5641 C.2 1 UNL1 -0.6386 22 C 1.4526 -1.3373 -0.8130 C.3 1 UNL1 0.4135 23 C -2.0504 1.9615 -0.2782 C.3 1 UNL1 0.4381 24 C 2.8827 1.7774 2.3887 C.2 1 UNL1 0.2919 25 C 4.8949 1.8685 0.6327 C.3 1 UNL1 0.4133 26 C -1.3478 -0.8343 -0.4384 C.1 1 UNL1 -0.6003 27 C 2.8496 -1.4411 -0.8667 C.1 1 UNL1 -0.3311 28 C -2.2784 -1.6777 -0.3071 C.1 1 UNL1 0.5914 29 C 5.9353 -1.3187 2.3662 C.1 1 UNL1 0.2188 30 C 4.0663 -1.5427 -0.8698 C.1 1 UNL1 0.2643 31 C 6.5002 -1.3844 0.0940 C.2 1 UNL1 0.1524 32 C 6.5775 -1.4421 -1.4684 C.3 1 UNL1 0.5837 @BOND 1 4 16 2 2 8 2 2 3 32 14 1 4 32 31 1 5 16 18 1 6 16 17 1 7 18 1 1 8 18 12 1 9 1 21 1 10 30 27 3 11 30 14 1 12 27 22 1 13 12 22 1 14 12 20 1 15 14 31 1 16 20 21 2 17 20 26 1 18 21 23 1 19 26 28 3 20 28 5 1 21 23 10 1 22 5 2 1 23 2 6 1 24 2 7 1 25 17 25 1 26 17 19 1 27 10 3 1 28 6 3 1 29 31 13 2 30 3 9 1 31 3 11 1 32 25 19 1 33 9 11 1 34 19 24 2 35 13 29 1 36 29 15 3