BR06JU -OEChem-04022102042D 44 45 0 1 0 0 0 0 0999 V2000 4.6340 1.2785 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1428 0.0125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 2.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1492 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2680 3.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 4.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5981 3.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -4.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.5516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.6446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1340 2.1446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1340 3.1446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0000 3.6446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8660 3.1446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5000 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7320 3.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0263 1.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 3.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5369 3.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 2.8346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1306 4.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3335 4.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 0.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7507 2.4459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2680 4.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5369 4.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1350 3.4546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 0.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -1.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 13 4 1 6 0 0 0 4 34 1 0 0 0 0 14 5 1 1 0 0 0 5 35 1 0 0 0 0 15 6 1 1 0 0 0 6 36 1 0 0 0 0 16 7 1 6 0 0 0 7 37 1 0 0 0 0 8 19 1 0 0 0 0 8 38 1 0 0 0 0 9 20 2 0 0 0 0 10 27 1 0 0 0 0 10 44 1 0 0 0 0 11 27 2 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 1 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$