B3SQ1O -OEChem-04022100242D 81 83 0 1 0 0 0 0 0999 V2000 10.6603 4.8450 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.8450 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 1.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -4.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -4.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -4.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -4.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -5.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -6.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 6.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 6.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -5.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 3 16 2 0 0 0 0 4 18 2 0 0 0 0 5 22 2 0 0 0 0 11 6 1 1 0 0 0 6 16 1 0 0 0 0 6 49 1 0 0 0 0 14 7 1 1 0 0 0 7 22 1 0 0 0 0 7 54 1 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 8 57 1 0 0 0 0 9 19 1 0 0 0 0 9 68 1 0 0 0 0 9 69 1 0 0 0 0 10 32 1 0 0 0 0 10 76 1 0 0 0 0 10 77 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 48 1 0 0 0 0 15 19 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 17 20 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 24 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 23 27 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 28 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 30 1 0 0 0 0 25 64 1 0 0 0 0 26 29 2 0 0 0 0 26 65 1 0 0 0 0 27 31 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 29 32 1 0 0 0 0 30 32 2 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 33 37 1 0 0 0 0 33 70 1 0 0 0 0 34 38 2 0 0 0 0 34 71 1 0 0 0 0 35 39 1 0 0 0 0 35 72 1 0 0 0 0 36 40 2 0 0 0 0 36 73 1 0 0 0 0 37 41 2 0 0 0 0 37 74 1 0 0 0 0 38 41 1 0 0 0 0 38 75 1 0 0 0 0 39 42 2 0 0 0 0 39 78 1 0 0 0 0 40 42 1 0 0 0 0 40 79 1 0 0 0 0 41 80 1 0 0 0 0 42 81 1 0 0 0 0 M END $$$$