@MOLECULE s-[(2e)-2-{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)-2-penten-3-yl] benzenecarbothioate 54 55 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.6424 -1.0676 1.9860 S.3 1 UNL1111111111 -0.0618 2 P 2.3000 3.0416 0.7881 P.3 1 UNL1111111111 0.3307 3 O 1.9154 1.5965 1.3393 O.3 1 UNL1111111111 -0.3156 4 O 3.8076 -2.8920 0.5583 O.2 1 UNL1111111111 -0.5538 5 O -2.1904 -1.8469 -0.4917 O.2 1 UNL1111111111 -0.4145 6 O 1.6875 3.1884 -0.6742 O.3 1 UNL1111111111 -0.4430 7 O 1.4435 4.1226 1.5826 O.3 1 UNL1111111111 -0.3014 8 O 3.7326 3.1823 0.9710 O.2 1 UNL1111111111 -0.1869 9 N 1.5622 -2.9943 0.3721 N.am 1 UNL1111111111 -0.5205 10 N 1.4759 0.6316 -2.1200 N.ar 1 UNL1111111111 -0.6036 11 N -0.5892 -0.4185 -2.7139 N.ar 1 UNL1111111111 -0.5322 12 N 3.2804 -0.5672 -1.2861 N.pl3 1 UNL1111111111 -0.5544 13 C 0.2766 -2.7068 0.9408 C.2 1 UNL1111111111 0.2457 14 C 1.6064 -3.0271 -1.1087 C.3 1 UNL1111111111 -0.0281 15 C 0.0035 -1.5065 1.4964 C.2 1 UNL1111111111 -0.1840 16 C 1.0079 -0.4482 1.7890 C.3 1 UNL1111111111 -0.3004 17 C 1.1561 -1.7360 -1.7028 C.ar 1 UNL1111111111 -0.3712 18 C 0.6192 0.9700 1.3043 C.3 1 UNL1111111111 0.0005 19 C -0.6655 -3.8575 0.8225 C.3 1 UNL1111111111 -0.4685 20 C 1.9736 -0.5695 -1.6832 C.ar 1 UNL1111111111 0.4563 21 C 2.7277 -2.9541 1.1166 C.2 1 UNL1111111111 0.4822 22 C -0.1195 -1.5966 -2.2543 C.ar 1 UNL1111111111 0.1865 23 C -2.5183 -1.0886 0.3749 C.2 1 UNL1111111111 0.4302 24 C 0.2203 0.6670 -2.6148 C.ar 1 UNL1111111111 0.4420 25 C -3.5731 -0.0763 0.2289 C.ar 1 UNL1111111111 -0.1500 26 C -0.3057 1.9892 -3.0617 C.3 1 UNL1111111111 -0.4455 27 C -3.5969 0.6261 -0.9805 C.ar 1 UNL1111111111 -0.0813 28 C -4.5181 0.1869 1.2196 C.ar 1 UNL1111111111 -0.0903 29 C -4.5566 1.6118 -1.1892 C.ar 1 UNL1111111111 -0.1680 30 C -5.4819 1.1697 1.0014 C.ar 1 UNL1111111111 -0.1730 31 C -5.4980 1.8831 -0.1966 C.ar 1 UNL1111111111 -0.1126 32 H 2.6480 -3.2873 -1.4309 H 1 UNL1111111111 0.1807 33 H 0.9632 -3.8739 -1.4530 H 1 UNL1111111111 0.1545 34 H 1.2127 -0.4041 2.8842 H 1 UNL1111111111 0.1726 35 H 2.0006 -0.6784 1.3350 H 1 UNL1111111111 0.1689 36 H -0.0704 1.4740 2.0071 H 1 UNL1111111111 0.1367 37 H 0.1794 0.9435 0.2918 H 1 UNL1111111111 0.1198 38 H -1.3969 -3.8974 1.6429 H 1 UNL1111111111 0.1754 39 H -0.1352 -4.8228 0.8268 H 1 UNL1111111111 0.1687 40 H -1.2446 -3.8204 -0.1172 H 1 UNL1111111111 0.1909 41 H 2.6174 -3.0402 2.2062 H 1 UNL1111111111 0.1464 42 H -0.8171 -2.4443 -2.3345 H 1 UNL1111111111 0.1848 43 H 3.7369 0.3172 -1.1260 H 1 UNL1111111111 0.3256 44 H 3.6343 -1.3577 -0.7631 H 1 UNL1111111111 0.3347 45 H -0.2347 2.7423 -2.2563 H 1 UNL1111111111 0.1883 46 H 0.2799 2.3796 -3.9107 H 1 UNL1111111111 0.1801 47 H -1.3569 1.9253 -3.3818 H 1 UNL1111111111 0.1753 48 H -2.8630 0.3901 -1.7632 H 1 UNL1111111111 0.1903 49 H -4.5212 -0.3697 2.1570 H 1 UNL1111111111 0.1601 50 H -4.5762 2.1629 -2.1274 H 1 UNL1111111111 0.1563 51 H -6.2240 1.3802 1.7692 H 1 UNL1111111111 0.1537 52 H -6.2516 2.6526 -0.3585 H 1 UNL1111111111 0.1485 53 H 1.8994 2.3461 -1.2343 H 1 UNL1111111111 0.3678 54 H 0.5750 4.3053 1.0660 H 1 UNL1111111111 0.3063 @BOND 1 1 15 1 2 1 23 1 3 2 3 1 4 2 6 1 5 2 7 1 6 2 8 2 7 3 18 1 8 4 21 2 9 5 23 2 10 6 53 1 11 7 54 1 12 9 13 1 13 9 14 1 14 9 21 am 15 10 20 ar 16 10 24 ar 17 11 22 ar 18 11 24 ar 19 12 20 1 20 12 43 1 21 12 44 1 22 13 15 2 23 13 19 1 24 14 17 1 25 14 32 1 26 14 33 1 27 15 16 1 28 16 18 1 29 16 34 1 30 16 35 1 31 17 20 ar 32 17 22 ar 33 18 36 1 34 18 37 1 35 19 38 1 36 19 39 1 37 19 40 1 38 21 41 1 39 22 42 1 40 23 25 1 41 24 26 1 42 25 27 ar 43 25 28 ar 44 26 45 1 45 26 46 1 46 26 47 1 47 27 29 ar 48 27 48 1 49 28 30 ar 50 28 49 1 51 29 31 ar 52 29 50 1 53 30 31 ar 54 30 51 1 55 31 52 1