LIW45C -OEChem-05022321262D 59 61 0 0 0 0 0 0 0999 V2000 4.2690 1.4788 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.8381 1.7878 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 3.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 3.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7101 4.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 4.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 5.1660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -1.7999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -4.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -4.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -4.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -3.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -3.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 -4.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 -5.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -5.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -4.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -1.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 -1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 -0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 2.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5290 2.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1168 3.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 4.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8985 -5.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6955 -5.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7736 -3.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3751 -2.7173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2189 -2.7173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8204 -3.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8339 -2.4899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 -4.9199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7830 -4.2999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 -3.6799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1261 -5.4760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 -5.7029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -4.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -4.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 -5.7029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4679 -5.4760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -3.6799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -4.2999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -4.9199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -1.4899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -2.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 -1.6099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 0.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3895 3.1716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1176 2.8474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4758 3.9450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 25 1 0 0 0 0 2 28 1 0 0 0 0 3 27 1 0 0 0 0 3 30 1 0 0 0 0 4 29 1 0 0 0 0 4 58 1 0 0 0 0 5 29 2 0 0 0 0 6 31 1 0 0 0 0 6 59 1 0 0 0 0 7 31 2 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 8 51 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 52 1 0 0 0 0 21 23 1 0 0 0 0 21 53 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 M END $$$$