B9IRF2 -OEChem-04012113172D 22 22 0 1 0 0 0 0 0999 V2000 4.2690 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 6 1 1 1 0 0 0 7 2 1 6 0 0 0 2 22 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 M CHG 2 3 -1 5 1 M END $$$$