BXD1H8 -OEChem-04022100362D 43 44 0 1 0 0 0 0 0999 V2000 8.9073 4.6907 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 5.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 5.6612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 4.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 4.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 4.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 3.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 0.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 1.4957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3726 3.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 14 2 1 1 0 0 0 2 39 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 5 43 1 0 0 0 0 6 24 2 0 0 0 0 9 7 1 6 0 0 0 7 11 1 0 0 0 0 7 28 1 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 21 2 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$