B3B1AO -OEChem-04012119582D 22 21 0 1 0 0 0 0 0999 V2000 7.7331 0.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 3 12 1 0 0 0 0 3 21 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 8 7 1 1 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 11 13 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 M END $$$$