@MOLECULE 2,2'-[(1,5-dioxo-1,5-pentanediyl)bis(oxy)]bis(3,5-dibromobenzoic acid) 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 BR -1.3646 -0.7882 0.5901 Br 1 UNL1111111111 0.0149 2 BR 1.8752 -1.8764 -0.5947 Br 1 UNL1111111111 0.0108 3 BR -6.6546 -2.7220 -0.1049 Br 1 UNL1111111111 -0.0205 4 BR 7.4741 -1.6405 0.2740 Br 1 UNL1111111111 -0.0216 5 O -2.7846 1.8233 0.5084 O.3 1 UNL1111111111 -0.4114 6 O 2.1985 1.0796 -0.6241 O.3 1 UNL1111111111 -0.4182 7 O -2.9688 2.5815 -1.6080 O.2 1 UNL1111111111 -0.4574 8 O 2.0987 2.0801 1.3963 O.2 1 UNL1111111111 -0.4556 9 O -6.8551 2.5569 -0.0764 O.3 1 UNL1111111111 -0.5434 10 O 5.6998 3.3146 -0.0725 O.3 1 UNL1111111111 -0.5436 11 O -4.8497 3.4920 0.1668 O.2 1 UNL1111111111 -0.5186 12 O 3.5190 3.4252 -0.4986 O.2 1 UNL1111111111 -0.5223 13 C -0.4187 3.2607 0.6912 C.3 1 UNL1111111111 -0.2362 14 C -1.6874 3.8352 0.0605 C.3 1 UNL1111111111 -0.3327 15 C 0.4926 2.6386 -0.3697 C.3 1 UNL1111111111 -0.3396 16 C -2.5509 2.7538 -0.5029 C.2 1 UNL1111111111 0.6443 17 C 1.6545 1.9829 0.2932 C.2 1 UNL1111111111 0.6498 18 C -3.6801 0.8280 0.2862 C.ar 1 UNL1111111111 0.3120 19 C 3.3991 0.5117 -0.3558 C.ar 1 UNL1111111111 0.3236 20 C -5.0445 1.0933 0.1129 C.ar 1 UNL1111111111 -0.2200 21 C 4.5646 1.2762 -0.2060 C.ar 1 UNL1111111111 -0.2246 22 C -3.2086 -0.4877 0.3516 C.ar 1 UNL1111111111 -0.1258 23 C 3.4582 -0.8872 -0.3467 C.ar 1 UNL1111111111 -0.1288 24 C -5.9359 0.0218 -0.0075 C.ar 1 UNL1111111111 -0.0320 25 C 5.7873 0.6242 -0.0119 C.ar 1 UNL1111111111 -0.0298 26 C -4.0901 -1.5526 0.2399 C.ar 1 UNL1111111111 -0.0727 27 C 4.6700 -1.5366 -0.1647 C.ar 1 UNL1111111111 -0.0700 28 C -5.4451 -1.2753 0.0579 C.ar 1 UNL1111111111 -0.0919 29 C 5.8183 -0.7634 0.0079 C.ar 1 UNL1111111111 -0.0951 30 C -5.5086 2.4849 0.0726 C.2 1 UNL1111111111 0.6759 31 C 4.4876 2.7397 -0.2754 C.2 1 UNL1111111111 0.6778 32 H -0.6783 2.5090 1.4698 H 1 UNL1111111111 0.1745 33 H 0.1277 4.0587 1.2379 H 1 UNL1111111111 0.1635 34 H -1.4439 4.5670 -0.7414 H 1 UNL1111111111 0.1832 35 H -2.2754 4.4051 0.8201 H 1 UNL1111111111 0.1958 36 H 0.8772 3.4137 -1.0764 H 1 UNL1111111111 0.1990 37 H -0.0595 1.9132 -1.0104 H 1 UNL1111111111 0.1936 38 H -7.0055 0.2238 -0.1501 H 1 UNL1111111111 0.1977 39 H 6.7007 1.2191 0.1190 H 1 UNL1111111111 0.1975 40 H -3.7296 -2.5855 0.2893 H 1 UNL1111111111 0.1874 41 H 4.7220 -2.6303 -0.1531 H 1 UNL1111111111 0.1865 42 H -7.1907 3.4899 -0.1199 H 1 UNL1111111111 0.3622 43 H 5.6684 4.3057 -0.1060 H 1 UNL1111111111 0.3619 @BOND 1 1 22 1 2 2 23 1 3 3 28 1 4 4 29 1 5 5 16 1 6 5 18 1 7 6 17 1 8 6 19 1 9 7 16 2 10 8 17 2 11 9 30 1 12 9 42 1 13 10 31 1 14 10 43 1 15 11 30 2 16 12 31 2 17 13 14 1 18 13 15 1 19 13 32 1 20 13 33 1 21 14 16 1 22 14 34 1 23 14 35 1 24 15 17 1 25 15 36 1 26 15 37 1 27 18 20 ar 28 18 22 ar 29 19 21 ar 30 19 23 ar 31 20 24 ar 32 20 30 1 33 21 25 ar 34 21 31 1 35 22 26 ar 36 23 27 ar 37 24 28 ar 38 24 38 1 39 25 29 ar 40 25 39 1 41 26 28 ar 42 26 40 1 43 27 29 ar 44 27 41 1