BTKP31 -OEChem-04022100442D 27 28 0 0 0 0 0 0 0999 V2000 2.0000 -4.3080 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 3.1865 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8195 4.3080 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.5284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 1.7853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 3.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 2.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 3 19 2 0 0 0 0 4 18 2 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 5 25 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 27 1 0 0 0 0 8 15 2 0 0 0 0 9 16 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 17 2 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 M END $$$$