BUW85L -OEChem-04012113352D 40 43 0 0 0 0 0 0 0999 V2000 5.2619 2.7646 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.0325 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2337 2.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4290 4.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.2278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.8373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -2.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 2.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 3.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 3.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3368 3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -3.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2961 -3.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -1.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 -0.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -0.9791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 -2.9054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 -2.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 1.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 4.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9432 3.8338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5285 4.5521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -4.3676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 19 1 0 0 0 0 4 24 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 13 2 0 0 0 0 6 14 1 0 0 0 0 7 12 2 0 0 0 0 7 23 1 0 0 0 0 8 17 1 0 0 0 0 8 23 2 0 0 0 0 9 17 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 14 17 2 0 0 0 0 15 25 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 22 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 22 34 1 0 0 0 0 23 37 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 25 26 3 0 0 0 0 26 40 1 0 0 0 0 M END $$$$