D05TKW -OEChem-10191521152D 89 90 0 1 0 0 0 0 0999 V2000 3.7320 -8.1550 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.7372 5.4328 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1192 5.4328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8450 0.0000 C 0 0 1 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 5.4641 -1.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1550 0.0000 C 0 0 1 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 3.7320 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 6.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 6.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.2376 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 7.4422 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 0.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 1.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 3.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 3.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 4.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 5.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 5.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 4.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -3.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -4.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7926 6.8854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0638 6.8854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -6.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 6.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 8.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 8.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 46 1 0 0 0 0 2 35 1 0 0 0 0 2 41 1 0 0 0 0 3 21 2 0 0 0 0 4 24 2 0 0 0 0 5 31 2 0 0 0 0 6 33 2 0 0 0 0 7 38 2 0 0 0 0 18 8 1 6 0 0 0 8 24 1 0 0 0 0 8 50 1 0 0 0 0 9 21 1 0 0 0 0 23 9 1 1 0 0 0 9 60 1 0 0 0 0 20 10 1 1 0 0 0 10 33 1 0 0 0 0 10 65 1 0 0 0 0 11 33 1 0 0 0 0 34 11 1 1 0 0 0 11 73 1 0 0 0 0 12 30 1 0 0 0 0 12 38 1 0 0 0 0 12 74 1 0 0 0 0 13 32 1 0 0 0 0 13 43 2 0 0 0 0 14 35 2 0 0 0 0 14 42 1 0 0 0 0 15 38 1 0 0 0 0 15 84 1 0 0 0 0 15 85 1 0 0 0 0 16 43 1 0 0 0 0 16 88 1 0 0 0 0 16 89 1 0 0 0 0 17 43 1 0 0 0 0 17 86 1 0 0 0 0 17 87 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 47 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 20 49 1 0 0 0 0 22 28 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 27 1 0 0 0 0 23 31 1 0 0 0 0 23 53 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 29 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 30 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 32 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 35 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 34 72 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 39 44 1 0 0 0 0 39 78 1 0 0 0 0 40 45 2 0 0 0 0 40 79 1 0 0 0 0 41 42 2 0 0 0 0 41 80 1 0 0 0 0 42 81 1 0 0 0 0 44 46 2 0 0 0 0 44 82 1 0 0 0 0 45 46 1 0 0 0 0 45 83 1 0 0 0 0 M END $$$$