@MOLECULE pentabrompseudilin 21 22 0 0 0 SMALL USER_CHARGES @ATOM 1 BR 0.9661 -0.4752 -2.5163 Br 1 UNL11111111 0.0337 2 BR 4.2992 -0.2187 -1.1334 Br 1 UNL11111111 0.0334 3 BR 3.8490 0.3771 2.4728 Br 1 UNL11111111 0.0520 4 BR -4.0284 2.7427 -0.1277 Br 1 UNL11111111 0.0094 5 BR -3.9592 -2.8695 0.6779 Br 1 UNL11111111 -0.0299 6 O -1.1049 2.3501 -0.0600 O.3 1 UNL11111111 -0.4149 7 N 1.2251 0.1870 1.4790 N.ar 1 UNL11111111 -0.2860 8 C 0.4904 -0.0146 0.3077 C.ar 1 UNL11111111 0.0281 9 C -0.9566 -0.0360 0.3073 C.ar 1 UNL11111111 -0.1876 10 C 1.3997 -0.1780 -0.7422 C.ar 1 UNL11111111 -0.1076 11 C -1.6855 1.1484 0.1150 C.ar 1 UNL11111111 0.3048 12 C -1.6463 -1.2415 0.4679 C.ar 1 UNL11111111 -0.0445 13 C 2.7067 -0.0789 -0.2061 C.ar 1 UNL11111111 -0.1154 14 C 2.5696 0.1438 1.1626 C.ar 1 UNL11111111 -0.0055 15 C -3.0877 1.1304 0.1119 C.ar 1 UNL11111111 -0.1348 16 C -3.0336 -1.2353 0.4547 C.ar 1 UNL11111111 -0.1024 17 C -3.7708 -0.0633 0.2807 C.ar 1 UNL11111111 -0.0699 18 H 0.8294 0.3037 2.3908 H 1 UNL11111111 0.3306 19 H -1.0786 -2.1684 0.5949 H 1 UNL11111111 0.1823 20 H -4.8650 -0.0862 0.2749 H 1 UNL11111111 0.1843 21 H -0.1101 2.2804 -0.1036 H 1 UNL11111111 0.3399 @BOND 1 1 10 1 2 2 13 1 3 10 13 ar 4 10 8 ar 5 13 14 ar 6 4 15 1 7 21 6 1 8 6 11 1 9 15 11 ar 10 15 17 ar 11 11 9 ar 12 20 17 1 13 17 16 ar 14 9 8 1 15 9 12 ar 16 8 7 ar 17 16 12 ar 18 16 5 1 19 12 19 1 20 14 7 ar 21 14 3 1 22 7 18 1