B1QPS5 -OEChem-04022102332D 27 27 0 0 0 0 0 0 0999 V2000 3.7320 0.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0950 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 4 15 1 0 0 0 0 4 26 1 0 0 0 0 5 15 1 0 0 0 0 5 27 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 M END $$$$