B97MUK -OEChem-04022105222D 40 42 0 0 0 0 0 0 0999 V2000 2.0000 -4.6327 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.6327 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 6.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 4.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9887 3.5924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3195 2.8493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 -0.5395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7977 2.1912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9022 3.1857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 0.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8195 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7808 4.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5239 5.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -3.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.8227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9739 1.2767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -6.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4522 5.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2059 4.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7767 6.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 24 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 27 1 0 0 0 0 6 40 1 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 26 1 0 0 0 0 9 22 2 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 23 1 0 0 0 0 18 24 2 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 35 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 25 37 1 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 M END $$$$