BTKP31 -OEChem-04022113443D 27 28 0 0 0 0 0 0 0999 V2000 5.5510 2.8583 -0.0006 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.0639 -1.3135 -0.0007 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.7785 0.0604 0.0059 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 1.2276 -0.0021 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4807 -0.7488 -0.0032 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1819 -0.8315 -0.0041 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3428 1.2173 0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9892 1.0574 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0498 -0.2737 -0.0036 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4294 -0.7219 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7613 0.6329 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4366 -1.6869 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1005 1.0228 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7759 -1.2969 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7254 -0.2067 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 -1.1348 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1079 0.0579 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 -0.0020 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1198 0.0822 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9849 1.3943 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 -2.7462 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5602 -2.0482 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 -2.2243 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1563 0.3448 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 -1.7617 -0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 -1.8433 -0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7037 2.1643 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 3 19 2 0 0 0 0 4 18 2 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 5 25 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 27 1 0 0 0 0 8 15 2 0 0 0 0 9 16 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 17 2 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 M END $$$$