@MOLECULE 72941461 32 32 1 SMALL USER_CHARGES @ATOM 1 Br1 -1.9789 -0.9229 -1.4947 Br 1 noname -0.0815 2 Br2 7.3431 3.8053 -0.4811 Br 1 noname -0.0815 3 O1 -0.3618 4.5116 -0.3557 O.3 1 noname -0.3544 4 O2 0.7683 5.3276 -2.3499 O.3 1 noname -0.3544 5 O3 1.0655 1.0888 -0.4038 O.3 1 noname -0.2035 6 O4 3.9701 2.5190 -1.6950 O.3 1 noname -0.2035 7 O5 0.5027 -0.9173 0.4512 O.2 1 noname -0.2503 8 O6 5.9556 1.7551 -2.4345 O.2 1 noname -0.2503 9 C1 1.7609 3.2843 -1.1125 C.3 1 noname 0.0653 10 C2 1.7436 4.2453 -2.3427 C.3 1 noname 0.0619 11 C3 0.9317 3.9618 0.0246 C.3 1 noname 0.0619 12 C4 3.2029 3.0840 -0.6421 C.3 1 noname 0.0687 13 C5 1.0629 1.9815 -1.5081 C.3 1 noname 0.0687 14 C6 -0.5110 5.0246 -1.7078 C.3 1 noname 0.1465 15 C7 0.5003 -0.1315 -0.5210 C.2 1 noname 0.1457 16 C8 5.2802 2.2525 -1.5077 C.2 1 noname 0.1457 17 C9 -0.1138 -0.5335 -1.7831 C.3 1 noname 0.0894 18 C10 5.9083 2.5453 -0.2226 C.3 1 noname 0.0894 19 H1 0.7999 3.2583 0.8467 H 1 noname 0.0575 20 H2 1.5259 4.8187 0.3416 H 1 noname 0.0575 21 H3 1.6456 3.6619 -3.2582 H 1 noname 0.0575 22 H4 2.7124 4.7424 -2.3910 H 1 noname 0.0575 23 H5 0.0347 2.1945 -1.8006 H 1 noname 0.0581 24 H6 1.5917 1.5256 -2.3451 H 1 noname 0.0581 25 H7 3.2150 2.4130 0.2168 H 1 noname 0.0581 26 H8 3.6293 4.0460 -0.3576 H 1 noname 0.0581 27 H9 -1.1300 5.9216 -1.6898 H 1 noname 0.0882 28 H10 -0.9706 4.2280 -2.2928 H 1 noname 0.0882 29 H11 -0.0193 0.2758 -2.5071 H 1 noname 0.0494 30 H12 0.3883 -1.4226 -2.1645 H 1 noname 0.0494 31 H13 5.1682 2.9713 0.4548 H 1 noname 0.0494 32 H14 6.3057 1.6250 0.2056 H 1 noname 0.0494 @BOND 1 1 17 1 2 2 18 1 3 3 11 1 4 3 14 1 5 4 10 1 6 4 14 1 7 5 13 1 8 5 15 1 9 6 12 1 10 6 16 1 11 7 15 2 12 8 16 2 13 9 10 1 14 9 11 1 15 9 12 1 16 9 13 1 17 10 21 1 18 10 22 1 19 11 19 1 20 11 20 1 21 12 25 1 22 12 26 1 23 13 23 1 24 13 24 1 25 14 27 1 26 14 28 1 27 15 17 1 28 16 18 1 29 17 29 1 30 17 30 1 31 18 31 1 32 18 32 1 @SUBSTRUCTURE 1 noname 1