B3SP6Q -OEChem-04012113372D 43 45 0 0 0 0 0 0 0999 V2000 8.0622 -0.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 23 1 0 0 0 0 3 27 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 5 11 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 28 3 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 20 1 0 0 0 0 16 35 1 0 0 0 0 17 21 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$