BWUB98 -OEChem-04012117482D 23 24 0 0 0 0 0 0 0999 V2000 5.2152 -0.8047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 1.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6088 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8358 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 11 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 M END $$$$