BVQZ13 -OEChem-04022117033D 43 46 0 0 0 0 0 0 0999 V2000 6.8685 -3.4376 0.3715 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.6495 4.9274 0.0005 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4189 -0.7534 -0.5774 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8428 -0.0751 -2.7003 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6416 -3.2424 -0.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9571 1.2740 0.3241 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3198 1.6802 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8921 2.0935 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3952 0.3760 -0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9663 3.3890 0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 0.0229 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 -0.4707 -0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4117 2.5619 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -0.7926 -0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1191 4.2659 0.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3098 3.8520 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2279 3.8797 1.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -0.1555 -1.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 -2.1786 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2908 -0.1982 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6363 -1.3169 -1.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0574 -2.9664 0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4351 -0.9860 0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3998 -1.9239 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3185 -2.3702 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9027 -1.3955 1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5188 -2.4793 1.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3325 -3.5802 1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 -1.4699 -1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3504 2.2517 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0351 5.2730 1.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1399 4.9165 1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4749 3.2669 2.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 3.8409 0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -2.6829 0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4181 0.8764 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4021 -2.0789 -1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2418 -0.5281 -1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9494 -4.0430 0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4105 -0.5063 0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8448 -0.3672 1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0340 -2.4606 2.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6149 -4.6199 1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 16 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 18 2 0 0 0 0 5 24 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 9 18 1 0 0 0 0 10 15 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 29 1 0 0 0 0 13 16 2 0 0 0 0 13 30 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 24 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 25 2 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M END $$$$