B5U9QA -OEChem-04022100332D 27 28 0 0 0 0 0 0 0999 V2000 2.0000 -0.4013 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 -0.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 2.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.2060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1226 1.7169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 1.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 0.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 0.4413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -1.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -2.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1236 2.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5303 1.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5367 1.2555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0400 2.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 12 2 0 0 0 0 3 5 1 0 0 0 0 3 27 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 5 15 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 11 14 2 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 M END $$$$