B4ADR3 -OEChem-04022100402D 59 63 0 0 0 0 0 0 0999 V2000 15.4426 -4.5653 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 3.1676 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.9562 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9426 -0.2352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4426 2.3629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 1.5582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.3629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.8629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9426 1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4426 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4426 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 -0.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4426 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4426 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 2.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9426 -1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9426 -1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4426 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4426 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9426 -3.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9426 -3.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 3.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 4.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 4.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2526 2.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5252 1.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8350 2.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9677 1.0294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9677 0.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9176 0.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9176 1.0294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -0.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0503 -0.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -1.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5503 -1.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7526 2.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0252 -0.8892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3350 -0.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2526 -1.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8226 -2.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0626 -2.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6326 -4.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.9829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 1.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 1.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 1.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 4.7723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 5.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 3.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 16 1 0 0 0 0 2 20 1 0 0 0 0 3 30 1 0 0 0 0 3 33 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 45 1 0 0 0 0 6 16 2 0 0 0 0 6 21 1 0 0 0 0 7 27 1 0 0 0 0 7 29 2 0 0 0 0 8 29 1 0 0 0 0 8 55 1 0 0 0 0 8 56 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 19 23 2 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 50 1 0 0 0 0 23 26 1 0 0 0 0 23 51 1 0 0 0 0 24 27 2 0 0 0 0 24 52 1 0 0 0 0 25 28 2 0 0 0 0 25 53 1 0 0 0 0 27 28 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 33 2 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 M END $$$$