@MOLECULE 2-(methylsulfanyl)-4h-1,3,2-benzodioxaphosphinine 2-oxide 22 23 0 0 0 SMALL USER_CHARGES @ATOM 1 S -2.0551 0.5051 1.2164 S.3 1 UNL111111 0.1290 2 P -1.3020 -0.4458 -0.5158 P.3 1 UNL111111 0.2499 3 O -0.6232 -1.8105 -0.0127 O.3 1 UNL111111 -0.2637 4 O -0.0649 0.4791 -1.0365 O.3 1 UNL111111 -0.2920 5 O -2.1609 -0.7043 -1.6657 O.2 1 UNL111111 -0.2156 6 C 1.5854 -0.6966 0.3525 C.ar 1 UNL111111 -0.1945 7 C 0.6406 -1.8053 0.6837 C.3 1 UNL111111 -0.0163 8 C 1.1702 0.3618 -0.4694 C.ar 1 UNL111111 0.2934 9 C 2.8911 -0.6934 0.8370 C.ar 1 UNL111111 -0.0963 10 C 2.0410 1.4057 -0.8170 C.ar 1 UNL111111 -0.2540 11 C 3.7652 0.3372 0.5023 C.ar 1 UNL111111 -0.2237 12 C 3.3392 1.3787 -0.3261 C.ar 1 UNL111111 -0.0844 13 C -3.2013 1.8167 0.6046 C.3 1 UNL111111 -0.4588 14 H 1.0364 -2.7944 0.3426 H 1 UNL111111 0.1569 15 H 0.4266 -1.8599 1.7742 H 1 UNL111111 0.1379 16 H 3.2321 -1.5044 1.4789 H 1 UNL111111 0.1457 17 H 1.6900 2.2071 -1.4617 H 1 UNL111111 0.1734 18 H 4.7824 0.3318 0.8827 H 1 UNL111111 0.1506 19 H 4.0318 2.1777 -0.5883 H 1 UNL111111 0.1471 20 H -4.0133 1.4346 -0.0277 H 1 UNL111111 0.1755 21 H -2.6855 2.6143 0.0552 H 1 UNL111111 0.1725 22 H -3.6530 2.2587 1.5014 H 1 UNL111111 0.1675 @BOND 1 5 2 2 2 17 10 1 3 4 2 1 4 4 8 1 5 10 8 ar 6 10 12 ar 7 19 12 1 8 2 3 1 9 2 1 1 10 8 6 ar 11 12 11 ar 12 20 13 1 13 3 7 1 14 21 13 1 15 14 7 1 16 6 7 1 17 6 9 ar 18 11 9 ar 19 11 18 1 20 13 1 1 21 13 22 1 22 7 15 1 23 9 16 1