B9IRF2 -OEChem-04012113383D 22 22 0 1 0 0 0 0 0999 V2000 -1.2062 0.6827 -0.3724 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 2.3546 0.2935 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2435 -0.5349 1.1523 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3106 -0.0901 -0.7542 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3607 -0.0402 0.0306 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0034 0.1734 0.1863 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1635 1.0551 -0.2813 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1845 -1.2777 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5142 0.4813 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5343 -1.8402 0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 -0.9640 -0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0407 0.2470 1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 1.1788 -1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0962 -1.3376 -1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 -1.9418 0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6176 0.5429 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 1.0984 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6544 -2.8557 -0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 -1.9153 1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6348 -1.3596 0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7351 -1.0001 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7727 2.8959 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 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 $$$$