BAU10K -OEChem-04012112382D 31 33 0 0 0 0 0 0 0999 V2000 2.0000 2.3450 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -2.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.8503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -3.4597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 6 23 1 0 0 0 0 6 31 1 0 0 0 0 7 23 2 0 0 0 0 8 13 1 0 0 0 0 8 24 1 0 0 0 0 9 12 2 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 18 28 1 0 0 0 0 19 21 2 0 0 0 0 19 27 1 0 0 0 0 20 22 2 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 M END $$$$