@MOLECULE s-benzyl o-ethyl phenylphosphonothioate 36 37 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.6891 0.1214 0.1871 S.3 1 UNL111111 0.0612 2 P 1.1627 -0.5350 -0.6625 P.3 1 UNL111111 0.1172 3 O 1.7151 -1.7347 0.2659 O.3 1 UNL111111 -0.3370 4 O 1.1155 -0.8526 -2.1024 O.2 1 UNL111111 -0.3725 5 C 2.3887 0.6705 -0.0747 C.ar 1 UNL111111 0.0085 6 C -2.0143 -0.4859 -0.9830 C.3 1 UNL111111 -0.2902 7 C -3.2722 0.0243 -0.3748 C.ar 1 UNL111111 0.0022 8 C 3.0718 1.4537 -1.0223 C.ar 1 UNL111111 -0.0562 9 C 2.6846 0.8002 1.2939 C.ar 1 UNL111111 -0.0602 10 C 1.3051 -3.1086 0.1048 C.3 1 UNL111111 0.0196 11 C -3.7629 1.2838 -0.7296 C.ar 1 UNL111111 -0.1539 12 C -3.9720 -0.7548 0.5513 C.ar 1 UNL111111 -0.1570 13 C 4.0296 2.3694 -0.5884 C.ar 1 UNL111111 -0.1855 14 C 3.6505 1.7191 1.7029 C.ar 1 UNL111111 -0.1858 15 C 4.3193 2.5036 0.7667 C.ar 1 UNL111111 -0.1087 16 C 2.3815 -3.8200 0.9273 C.3 1 UNL111111 -0.4648 17 C -4.9430 1.7611 -0.1636 C.ar 1 UNL111111 -0.1462 18 C -5.1515 -0.2746 1.1150 C.ar 1 UNL111111 -0.1480 19 C -5.6387 0.9820 0.7591 C.ar 1 UNL111111 -0.1522 20 H -2.0079 -1.5896 -1.0685 H 1 UNL111111 0.1692 21 H -1.8561 -0.0981 -2.0104 H 1 UNL111111 0.1799 22 H 2.8866 1.3741 -2.1028 H 1 UNL111111 0.1734 23 H 2.1904 0.1987 2.0664 H 1 UNL111111 0.1667 24 H 0.2971 -3.2532 0.5402 H 1 UNL111111 0.1160 25 H 1.3124 -3.4523 -0.9483 H 1 UNL111111 0.1322 26 H -3.2206 1.8979 -1.4469 H 1 UNL111111 0.1580 27 H -3.5951 -1.7352 0.8369 H 1 UNL111111 0.1546 28 H 4.5564 2.9804 -1.3189 H 1 UNL111111 0.1533 29 H 3.8818 1.8203 2.7613 H 1 UNL111111 0.1520 30 H 5.0706 3.2201 1.0946 H 1 UNL111111 0.1454 31 H 2.2185 -4.9013 0.9351 H 1 UNL111111 0.1471 32 H 2.3886 -3.4616 1.9640 H 1 UNL111111 0.1547 33 H 3.3808 -3.6249 0.5147 H 1 UNL111111 0.1622 34 H -5.3209 2.7431 -0.4415 H 1 UNL111111 0.1489 35 H -5.6943 -0.8819 1.8365 H 1 UNL111111 0.1476 36 H -6.5602 1.3538 1.2013 H 1 UNL111111 0.1481 @BOND 1 22 8 1 2 4 2 2 3 21 6 1 4 26 11 1 5 28 13 1 6 20 6 1 7 8 13 ar 8 8 5 ar 9 6 7 1 10 6 1 1 11 25 10 1 12 11 7 ar 13 11 17 ar 14 2 5 1 15 2 1 1 16 2 3 1 17 13 15 ar 18 34 17 1 19 7 12 ar 20 17 19 ar 21 5 9 ar 22 10 3 1 23 10 24 1 24 10 16 1 25 33 16 1 26 12 27 1 27 12 18 ar 28 19 18 ar 29 19 36 1 30 15 30 1 31 15 14 ar 32 16 31 1 33 16 32 1 34 18 35 1 35 9 14 ar 36 9 23 1 37 14 29 1