LDQ5Z8 -OEChem-05022323032D 44 46 0 0 0 0 0 0 0999 V2000 8.0902 1.2958 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 1.6048 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 3.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2478 3.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6491 4.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9947 3.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5935 4.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2423 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4124 3.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0002 4.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9697 2.9886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 3.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3592 4.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 11 1 0 0 0 0 2 20 1 0 0 0 0 3 18 1 0 0 0 0 3 27 1 0 0 0 0 4 25 1 0 0 0 0 4 43 1 0 0 0 0 5 25 2 0 0 0 0 6 28 1 0 0 0 0 6 44 1 0 0 0 0 7 28 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 15 2 0 0 0 0 12 29 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 19 2 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 20 2 0 0 0 0 19 35 1 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 26 2 0 0 0 0 23 38 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$