@MOLECULE s-(4-nitrobenzyl) hydrogen sulfurothioate 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.7185 0.0736 -0.5994 S.3 1 UNL1111 -0.2294 2 S -3.7005 -0.0022 0.0049 S.O2 1 UNL1111 2.3122 3 O -4.4166 -0.2717 -1.4578 O.3 1 UNL1111 -0.8100 4 O -3.8842 -1.1423 0.8504 O.2 1 UNL1111 -0.8414 5 O -4.1808 1.2871 0.4126 O.2 1 UNL1111 -0.8734 6 O 5.3363 1.0833 -0.3958 O.2 1 UNL1111 -0.3919 7 O 5.3493 -1.0693 -0.3858 O.2 1 UNL1111 -0.3914 8 N 4.7805 0.0044 -0.2676 N.pl3 1 UNL1111 0.6234 9 C 0.6467 -0.0128 0.6351 C.ar 1 UNL1111 0.0492 10 C -0.7984 -0.0196 0.9950 C.3 1 UNL1111 -0.3340 11 C 1.3305 1.2018 0.5227 C.ar 1 UNL1111 -0.1806 12 C 1.3214 -1.2203 0.4280 C.ar 1 UNL1111 -0.1784 13 C 3.3541 -0.0016 0.0314 C.ar 1 UNL1111 -0.0780 14 C 2.6882 1.2138 0.2217 C.ar 1 UNL1111 -0.0874 15 C 2.6793 -1.2207 0.1301 C.ar 1 UNL1111 -0.0871 16 H -1.0776 -0.9344 1.5638 H 1 UNL1111 0.1912 17 H -1.0650 0.8357 1.6516 H 1 UNL1111 0.1820 18 H 0.8045 2.1474 0.6701 H 1 UNL1111 0.1721 19 H 0.7816 -2.1670 0.5010 H 1 UNL1111 0.1735 20 H 3.2355 2.1607 0.1317 H 1 UNL1111 0.1922 21 H 3.2154 -2.1629 -0.0296 H 1 UNL1111 0.1924 22 H -5.1785 0.2913 -1.6808 H 1 UNL1111 0.3947 @BOND 1 1 2 1 2 1 10 1 3 2 3 1 4 2 4 2 5 2 5 2 6 3 22 1 7 6 8 2 8 7 8 2 9 8 13 1 10 9 10 1 11 9 11 ar 12 9 12 ar 13 10 16 1 14 10 17 1 15 11 14 ar 16 11 18 1 17 12 15 ar 18 12 19 1 19 13 14 ar 20 13 15 ar 21 14 20 1 22 15 21 1