B5SR3X -OEChem-04022109042D 80 83 0 1 0 0 0 0 0999 V2000 2.2690 2.1200 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.5361 13.2864 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 13.5552 0.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5437 3.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4021 13.7864 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6700 13.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 2.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5552 2.6547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6613 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4613 2.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4613 1.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5361 12.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 11.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4021 11.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 10.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4021 10.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5361 10.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5432 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0892 2.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0722 2.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6704 2.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6704 0.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0722 1.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0770 3.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 5.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 7.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 6.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1331 12.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9390 12.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1331 10.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9390 10.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5361 9.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 36 1 0 0 0 0 3 26 1 0 0 0 0 3 32 1 0 0 0 0 4 27 1 0 0 0 0 4 33 1 0 0 0 0 5 25 1 0 0 0 0 5 68 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 18 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 24 1 0 0 0 0 20 27 1 0 0 0 0 20 57 1 0 0 0 0 21 29 2 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 24 30 2 0 0 0 0 24 60 1 0 0 0 0 25 28 1 0 0 0 0 25 61 1 0 0 0 0 26 30 1 0 0 0 0 27 31 2 0 0 0 0 28 32 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 31 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 76 1 0 0 0 0 38 40 2 0 0 0 0 38 77 1 0 0 0 0 39 41 2 0 0 0 0 39 78 1 0 0 0 0 40 41 1 0 0 0 0 40 79 1 0 0 0 0 41 80 1 0 0 0 0 M CHG 1 7 -1 M END $$$$