@MOLECULE 2-(4-bromophenyl)-2-oxoethyl trifluoromethanesulfonate 24 24 0 0 0 SMALL GASTEIGER @ATOM 1 BR 5.5281 0.0825 0.0217 Br 1 UNL1111 -0.0370 2 S -3.7860 -0.9160 0.0875 S.O2 1 UNL1111 2.2806 3 F -3.2957 1.5253 -0.9501 F 1 UNL1111 -0.1747 4 F -3.4787 1.5455 1.1652 F 1 UNL1111 -0.1669 5 F -5.1926 1.3642 -0.0459 F 1 UNL1111 -0.1936 6 O -2.5735 -1.0840 -1.0320 O.3 1 UNL1111 -0.6571 7 O -3.2813 -1.3413 1.3521 O.2 1 UNL1111 -0.8353 8 O -4.9825 -1.4176 -0.4958 O.2 1 UNL1111 -0.7915 9 O -1.2580 0.8368 0.2791 O.2 1 UNL1111 -0.4071 10 C -1.2627 -1.3664 -0.6194 C.3 1 UNL1111 -0.0602 11 C 0.8777 -0.0995 -0.0330 C.ar 1 UNL1111 -0.1642 12 C -0.6013 -0.1101 -0.0724 C.2 1 UNL1111 0.4260 13 C -3.9304 0.9531 0.0668 C.3 1 UNL1111 0.2636 14 C 1.6115 -1.2467 0.2702 C.ar 1 UNL1111 -0.1075 15 C 1.5276 1.1087 -0.2943 C.ar 1 UNL1111 -0.0722 16 C 3.0035 -1.1948 0.2923 C.ar 1 UNL1111 -0.1701 17 C 2.9199 1.1688 -0.2828 C.ar 1 UNL1111 -0.1712 18 C 3.6338 0.0122 0.0074 C.ar 1 UNL1111 0.0111 19 H -1.2308 -2.1980 0.1143 H 1 UNL1111 0.1619 20 H -0.7842 -1.6964 -1.5696 H 1 UNL1111 0.1743 21 H 1.1075 -2.1843 0.5044 H 1 UNL1111 0.1579 22 H 0.9390 2.0079 -0.5016 H 1 UNL1111 0.1790 23 H 3.5766 -2.0912 0.5330 H 1 UNL1111 0.1752 24 H 3.4241 2.1135 -0.4937 H 1 UNL1111 0.1787 @BOND 1 1 18 1 2 2 6 1 3 2 7 2 4 2 8 2 5 2 13 1 6 3 13 1 7 4 13 1 8 5 13 1 9 6 10 1 10 9 12 2 11 10 12 1 12 10 19 1 13 10 20 1 14 11 12 1 15 11 14 ar 16 11 15 ar 17 14 16 ar 18 14 21 1 19 15 17 ar 20 15 22 1 21 16 18 ar 22 16 23 1 23 17 18 ar 24 17 24 1