LJ2A6D -OEChem-05022321282D 29 30 0 0 0 0 0 0 0999 V2000 6.2068 -0.2042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6377 0.1048 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5345 1.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 2.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 2.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7101 3.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 -0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9467 1.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2558 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 1.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5807 -1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 -1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5807 -2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 -2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5290 1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 -3.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1168 2.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0438 -1.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8497 -1.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0438 -3.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8497 -3.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 1.1644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0863 1.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 -4.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4758 2.9665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 10 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 4 28 1 0 0 0 0 5 18 2 0 0 0 0 6 20 1 0 0 0 0 6 29 1 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 19 2 0 0 0 0 15 23 1 0 0 0 0 16 19 1 0 0 0 0 16 24 1 0 0 0 0 17 20 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 19 27 1 0 0 0 0 M END $$$$