@MOLECULE 4-bromothioanisole 16 16 0 0 0 SMALL GASTEIGER @ATOM 1 BR -2.7634 -0.0948 -0.0025 Br 1 UNL1111111111 -0.0538 2 S 3.6349 0.4868 -0.0181 S.3 1 UNL1111111111 0.0709 3 C 1.8859 0.2384 0.0030 C.ar 1 UNL1111111111 -0.0687 4 C 1.2803 -1.0166 -0.0020 C.ar 1 UNL1111111111 -0.1717 5 C 1.1045 1.3985 0.0141 C.ar 1 UNL1111111111 -0.1515 6 C -0.1112 -1.1207 -0.0005 C.ar 1 UNL1111111111 -0.1338 7 C -0.2846 1.3022 0.0154 C.ar 1 UNL1111111111 -0.1345 8 C -0.8709 0.0413 0.0054 C.ar 1 UNL1111111111 -0.0364 9 C 4.3667 -1.1761 0.0202 C.3 1 UNL1111111111 -0.5045 10 H 1.8696 -1.9330 -0.0086 H 1 UNL1111111111 0.1605 11 H 1.5645 2.3892 0.0210 H 1 UNL1111111111 0.1696 12 H -0.5784 -2.1062 -0.0055 H 1 UNL1111111111 0.1706 13 H -0.8897 2.2097 0.0230 H 1 UNL1111111111 0.1711 14 H 4.0807 -1.7383 0.9159 H 1 UNL1111111111 0.1674 15 H 5.4591 -1.0568 0.0359 H 1 UNL1111111111 0.1776 16 H 4.1086 -1.7668 -0.8656 H 1 UNL1111111111 0.1672 @BOND 1 1 8 1 2 2 3 1 3 2 9 1 4 3 4 ar 5 3 5 ar 6 4 6 ar 7 4 10 1 8 5 7 ar 9 5 11 1 10 6 8 ar 11 6 12 1 12 7 8 ar 13 7 13 1 14 9 14 1 15 9 15 1 16 9 16 1