B2QMC4 -OEChem-04012115002D 22 22 0 0 0 0 0 0 0999 V2000 3.0000 1.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -2.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 3.3100 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 6 1 0 0 0 0 1 7 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M END $$$$