B1NQK0 -OEChem-04022110172D 27 28 0 0 0 0 0 0 0999 V2000 5.1350 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 -1.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 -0.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 1.3329 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 5.6720 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 5 18 1 0 0 0 0 5 27 1 0 0 0 0 6 18 2 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 M END $$$$