BTW3D7 -OEChem-04022109302D 42 45 0 1 0 0 0 0 0999 V2000 6.5000 5.2071 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.7211 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.8551 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.5871 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8551 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -4.5871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -3.0871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -4.5871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.8770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 2.6090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -3.0871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8660 -4.0871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7326 -3.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.5871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5000 -1.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -1.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -4.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 3.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 4.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 3.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 4.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2909 -2.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2909 -4.8233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1310 -4.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1310 -3.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 -1.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -0.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -5.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -4.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 0.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 4.8780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 20 1 0 0 0 0 5 22 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 7 24 2 0 0 0 0 8 15 1 0 0 0 0 8 18 2 0 0 0 0 9 18 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 21 1 0 0 0 0 10 24 1 0 0 0 0 10 39 1 0 0 0 0 11 25 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 6 0 0 0 13 14 1 0 0 0 0 13 31 1 6 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 1 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 17 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 40 1 0 0 0 0 27 29 1 0 0 0 0 27 41 1 0 0 0 0 28 29 2 0 0 0 0 28 42 1 0 0 0 0 M END $$$$