L9XK6T -OEChem-05022323392D 43 45 0 0 0 0 0 0 0999 V2000 2.8602 -2.2516 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 0.7416 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 1.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7340 -0.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1072 1.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1005 -0.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 1.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 -0.7858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4718 1.2383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8679 0.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1359 0.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8679 -0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1359 -0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8679 0.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3679 1.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 0.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2419 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2419 -0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 -0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 0.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8679 0.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4879 0.7142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8679 1.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9049 1.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6779 2.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8310 1.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 -1.4058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2491 1.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2491 -1.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8001 -0.6187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4742 1.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -1.0671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 0.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 2.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4758 2.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6995 1.7159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 9 1 0 0 0 0 2 20 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 2 0 0 0 0 7 21 1 0 0 0 0 7 26 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 33 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 13 18 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$