BR5UA9 -OEChem-04022106052D 37 39 0 0 0 0 0 0 0999 V2000 9.7619 3.0432 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.0916 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -2.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -3.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 0.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 2.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.2869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.4209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 1.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -1.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 -1.4990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -0.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -0.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1419 1.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 2.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 0.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 5 13 2 0 0 0 0 6 17 2 0 0 0 0 7 26 1 0 0 0 0 7 37 1 0 0 0 0 8 26 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 14 17 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 24 2 0 0 0 0 22 35 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 M END $$$$