@MOLECULE lawesson's reagent 22 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.5718 0.4006 1.2746 S.3 1 UNL1 0.2475 2 S 1.2831 -2.1560 -2.0331 S.3 1 UNL1 -0.0238 3 S 1.8877 -3.7596 0.9782 S.2 1 UNL1 -0.0333 4 S 0.8393 1.7073 -1.8951 S.2 1 UNL1 0.0307 5 P 1.9349 -2.3902 -0.2960 P.3 1 UNL1 0.0703 6 P -0.2413 1.1739 -0.4866 P.3 1 UNL1 0.0907 7 O 5.9059 3.0212 0.4289 O.2 1 UNL1 -0.4610 8 O -10.7302 -0.3757 0.6204 O.2 2 UNL2 -0.4532 9 C 2.8760 -0.9670 0.2876 C.ar 1 UNL1 -0.0580 10 C -1.7511 1.1782 -0.2865 C.1 1 UNL1 -0.4765 11 C 4.2457 -0.9163 0.1761 C.ar 1 UNL1 -0.0013 12 C -3.0115 1.1432 -0.1481 C.1 1 UNL1 0.6017 13 C 2.3120 0.2267 0.9164 C.ar 1 UNL1 0.0005 14 C -8.0896 0.7979 0.4184 C.1 1 UNL1 0.3778 15 C 5.0474 0.0180 0.5310 C.ar 1 UNL1 -0.0124 16 C -4.2930 1.0842 -0.0083 C.1 1 UNL1 -0.6268 17 C 3.2393 1.1717 1.2637 C.ar 1 UNL1 -0.1254 18 C -6.8287 0.9026 0.2714 C.1 1 UNL1 -0.7530 19 C 4.5093 1.0962 1.1048 C.ar 1 UNL1 0.1131 20 C -5.5507 1.0016 0.1278 C.1 1 UNL1 0.5982 21 C 6.8411 3.6596 0.2885 C.2 1 UNL1 0.4660 22 C -9.7178 -0.6206 0.1498 C.2 2 UNL2 0.4282 @BOND 1 2 5 1 2 4 6 2 3 6 10 1 4 6 1 1 5 5 9 1 6 5 3 2 7 10 12 3 8 12 16 1 9 16 20 3 10 20 18 1 11 22 8 2 12 11 9 ar 13 11 15 ar 14 18 14 3 15 9 13 ar 16 21 7 2 17 15 19 ar 18 13 17 ar 19 13 1 1 20 19 17 ar