D0F2XI -OEChem-10191521332D 41 44 0 1 0 0 0 0 0999 V2000 4.3958 -4.9407 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 3.6286 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 3.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 3.6247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.4407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2701 4.6286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -0.4407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5298 0.5593 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3958 -0.9407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5836 -0.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 1.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 0.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -1.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 2.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 2.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 2.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -3.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -3.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -1.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 1.1759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9328 -1.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 -1.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 -1.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 1.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -0.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7052 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -2.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -2.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 2.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -3.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -3.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8059 4.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 4.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 2 18 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 26 1 0 0 0 0 9 15 1 0 0 0 0 9 27 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 14 32 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 21 2 0 0 0 0 17 34 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$