B1M9QT -OEChem-04012116002D 40 43 0 1 0 0 0 0 0999 V2000 8.3359 0.0959 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -3.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 -0.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 3.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9051 -0.8540 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9368 1.8322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2791 0.6329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 -2.4720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3204 -1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8612 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8573 -1.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2586 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 2.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6397 2.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 2.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6491 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2886 2.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6696 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 1.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9896 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3514 -2.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -1.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8612 -2.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 -2.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 -2.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4742 -1.2218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9839 -0.5524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2088 0.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0461 -0.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3308 1.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4733 3.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5974 1.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5241 -1.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -1.5309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4551 -0.6559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 9 2 1 6 0 0 0 2 34 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 18 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 35 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$