BGI52E -OEChem-04022105172D 21 22 0 0 0 0 0 0 0999 V2000 2.8660 1.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.3135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 -1.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 1.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7265 -1.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 -2.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9664 -1.8345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 7 2 0 0 0 0 3 13 1 0 0 0 0 4 14 3 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 M END $$$$