BW94BP -OEChem-04012118132D 31 31 0 0 0 0 0 0 0999 V2000 8.0622 -0.1900 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 Na 0 3 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 2.8660 -0.1900 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8100 0.0000 N 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 6.3301 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 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 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 4 11 1 0 0 0 0 4 31 1 0 0 0 0 5 18 1 0 0 0 0 6 18 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 18 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 19 21 2 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 M CHG 2 3 1 5 -1 M END $$$$