BR82NQ -OEChem-04012118152D 27 28 0 0 0 0 0 0 0999 V2000 4.6783 -1.2256 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -1.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -2.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.4209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 2.1772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -1.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 -0.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 1.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 0.6572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -0.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 0.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3891 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 5 1 0 0 0 0 1 8 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 17 3 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$