@MOLECULE o,s-dimethyl phosphorothioate 13 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.6180 0.2789 -0.4368 S.3 1 UNL1 0.2705 2 P 0.5244 0.5233 0.0841 P.3 1 UNL1 0.2718 3 O 1.0197 -0.9720 0.3464 O.3 1 UNL1 -0.3015 4 O 1.4125 1.3723 -0.6834 O.2 1 UNL1 -0.2616 5 O -0.3616 0.8737 1.2644 O.3 1 UNL1 -0.2409 6 C -2.1128 -1.4337 -0.0262 C.3 1 UNL1 -0.5063 7 C 2.2471 -1.4860 -0.1992 C.3 1 UNL1 -0.1542 8 H -3.1502 -1.5619 -0.3584 H 1 UNL1 0.1686 9 H -2.0810 -1.6281 1.0552 H 1 UNL1 0.1806 10 H -1.5006 -2.1991 -0.5173 H 1 UNL1 0.1712 11 H 2.3218 -2.4283 0.3720 H 1 UNL1 0.1370 12 H 3.1339 -0.8667 -0.0044 H 1 UNL1 0.1395 13 H 2.1579 -1.6977 -1.2731 H 1 UNL1 0.1254 @BOND 1 13 7 1 2 4 2 2 3 10 6 1 4 1 6 1 5 1 2 1 6 8 6 1 7 7 12 1 8 7 3 1 9 7 11 1 10 6 9 1 11 2 3 1 12 2 5 1