BRT91J -OEChem-04012116532D 39 41 0 0 0 0 0 0 0999 V2000 8.0622 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0561 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6651 1.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6651 -1.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6761 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 22 2 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 3 27 1 0 0 0 0 4 9 1 0 0 0 0 4 16 1 0 0 0 0 4 30 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 31 1 0 0 0 0 6 17 1 0 0 0 0 6 22 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$