BVQZ13 -OEChem-04022102532D 43 46 0 0 0 0 0 0 0999 V2000 9.8602 -3.8512 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3271 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1757 2.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -3.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 3.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3448 3.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8448 2.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -0.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -2.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1618 -3.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7889 -4.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4017 -3.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 -3.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1841 2.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7856 2.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 -2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -4.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9060 4.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 4.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4615 2.9204 0.0000 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 $$$$