@MOLECULE 8,9-dihydro-7h-[1,2,3]triazolo[4',5':4,5]pyrimido[6,1-b][1,3]thiazin-5(1h)-one 21 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.3324 1.8696 -0.1754 S.3 1 UNL1 0.1001 2 O -0.3501 -3.0838 -0.1012 O.2 1 UNL1 -0.4307 3 N -0.7359 -0.8357 -0.0978 N.ar 1 UNL1 -0.4176 4 N 1.9397 1.7460 0.0315 N.ar 1 UNL1 -0.2723 5 N 1.5444 -1.7710 0.0173 N.ar 1 UNL1 -0.4627 6 N 3.2731 0.0136 0.1145 N.ar 1 UNL1 -0.2244 7 N 3.2106 1.2936 0.1096 N.ar 1 UNL1 0.0800 8 C -2.1733 -1.1516 -0.1732 C.3 1 UNL1 -0.0907 9 C -3.0347 -0.1683 0.6260 C.3 1 UNL1 -0.2954 10 C -0.3008 0.4423 -0.0896 C.ar 1 UNL1 0.1907 11 C -3.0314 1.2108 -0.0087 C.3 1 UNL1 -0.3233 12 C 1.0693 0.6452 -0.0162 C.ar 1 UNL1 -0.2650 13 C 0.1983 -2.0147 -0.0586 C.ar 1 UNL1 0.6659 14 C 1.9546 -0.5168 0.0382 C.ar 1 UNL1 0.3493 15 H -2.3271 -2.1936 0.2209 H 1 UNL1 0.1974 16 H -2.4790 -1.1841 -1.2462 H 1 UNL1 0.1640 17 H -4.0756 -0.5578 0.6797 H 1 UNL1 0.1680 18 H -2.6982 -0.1309 1.6851 H 1 UNL1 0.1711 19 H -3.5148 1.1952 -1.0060 H 1 UNL1 0.1728 20 H -3.6036 1.9364 0.6053 H 1 UNL1 0.1758 21 H 1.7148 2.7196 0.0271 H 1 UNL1 0.3469 @BOND 1 16 8 1 2 19 11 1 3 1 10 1 4 1 11 1 5 8 3 1 6 8 15 1 7 8 9 1 8 2 13 2 9 3 10 ar 10 3 13 ar 11 10 12 ar 12 13 5 ar 13 12 4 ar 14 12 14 ar 15 11 20 1 16 11 9 1 17 5 14 ar 18 21 4 1 19 4 7 ar 20 14 6 ar 21 7 6 ar 22 9 17 1 23 9 18 1