BWQS92 -OEChem-04012120012D 28 25 0 1 0 0 0 0 0999 V2000 5.4641 2.6900 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.9641 3.5560 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 -3.8100 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 3.5560 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9641 1.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -2.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 6 15 1 0 0 0 0 7 28 1 0 0 0 0 8 21 1 0 0 0 0 9 21 2 0 0 0 0 12 22 1 0 0 0 0 13 22 2 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 M CHG 6 2 1 3 1 4 1 8 -1 10 -1 12 -1 M END $$$$