B8I3AL -OEChem-04012120142D 52 55 0 1 0 0 0 0 0999 V2000 9.8765 -2.8002 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8444 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -0.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3444 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2044 -2.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2044 -1.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -3.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3554 -2.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -2.2367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7484 -3.6556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.8813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 4 12 2 0 0 0 0 5 15 1 0 0 0 0 5 25 1 0 0 0 0 6 16 2 0 0 0 0 7 25 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 26 1 0 0 0 0 21 40 1 0 0 0 0 22 27 1 0 0 0 0 22 41 1 0 0 0 0 23 28 2 0 0 0 0 23 42 1 0 0 0 0 24 29 2 0 0 0 0 24 43 1 0 0 0 0 25 32 1 0 0 0 0 26 30 2 0 0 0 0 26 44 1 0 0 0 0 27 31 2 0 0 0 0 27 45 1 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 29 31 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END $$$$