BA58QS -OEChem-04012114522D 22 23 0 0 0 0 0 0 0999 V2000 2.0000 2.1777 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5352 0.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -3.2702 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6372 -3.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 1.8176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 2.7686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 2.7686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 1.5086 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5032 -2.7702 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5032 0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 1.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -0.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -0.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -1.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -1.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -1.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 0.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 0.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 -1.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -1.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3676 3.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 14 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 M CHG 4 1 -1 3 -1 8 1 9 1 M END $$$$