D02JXG -OEChem-10101305032D 31 33 0 0 0 0 0 0 0999 V2000 4.5981 4.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.4453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 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 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 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 2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 3 24 1 0 0 0 0 4 7 1 0 0 0 0 4 10 2 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 27 1 0 0 0 0 8 22 3 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END $$$$