BUBA52 -OEChem-04012118132D 30 30 0 0 0 0 0 0 0999 V2000 2.0000 -1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 N 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 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 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 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 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 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 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 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 4 16 1 0 0 0 0 5 22 1 0 0 0 0 6 21 1 0 0 0 0 7 21 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 21 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 19 22 2 0 0 0 0 19 29 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 M CHG 2 3 1 6 -1 M END $$$$