BD2XN5 -OEChem-04012118102D 42 44 0 0 0 0 0 0 0999 V2000 4.2690 2.0458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.8381 2.3548 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 4.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 4.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 -2.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7101 5.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 4.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 5.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -2.2330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -5.2330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 0.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 2.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 3.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5290 3.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 -2.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1168 4.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 4.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 -3.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 -4.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -4.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 4.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 -5.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 -5.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 0.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 -1.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -1.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -2.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3895 3.7386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1176 3.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2980 -3.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -3.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2980 -5.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4758 4.5120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 -6.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 18 1 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 4 22 1 0 0 0 0 4 40 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 27 1 0 0 0 0 7 42 1 0 0 0 0 8 27 2 0 0 0 0 9 17 1 0 0 0 0 9 21 1 0 0 0 0 9 34 1 0 0 0 0 10 26 1 0 0 0 0 10 29 2 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 20 2 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 22 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 24 1 0 0 0 0 23 27 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 28 2 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 28 29 1 0 0 0 0 28 39 1 0 0 0 0 29 41 1 0 0 0 0 M END $$$$