B1FXU3 -OEChem-04012115382D 26 27 0 0 0 0 0 0 0999 V2000 5.2152 -0.3047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7988 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 1.3047 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 4.2690 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7988 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4188 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7988 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4188 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1788 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1788 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4188 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 1.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3100 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 6 1 0 0 0 0 1 12 1 0 0 0 0 2 13 2 0 0 0 0 3 11 1 0 0 0 0 3 14 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$