BD21JM -OEChem-04012114482D 51 54 0 1 0 0 0 0 0999 V2000 11.0354 4.2739 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.3141 3.8127 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2318 3.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 1.9286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2437 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 1.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8195 2.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 2.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4832 2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3967 2.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2922 3.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8102 1.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9337 -0.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7453 -0.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3698 2.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 1.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3277 0.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4144 1.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.5839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3543 1.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9337 2.3002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -4.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.8939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 8 3 1 1 0 0 0 3 13 1 0 0 0 0 4 12 2 0 0 0 0 5 21 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 21 1 0 0 0 0 7 30 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 19 2 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M END $$$$