B7VJS1 -OEChem-04042103073D 41 43 0 0 0 0 0 0 0999 V2000 0.4209 4.4645 0.3488 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.5659 -0.9789 -1.1728 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8656 0.2010 2.6408 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 0.3855 -1.5472 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2335 -1.4362 1.2607 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9752 -0.7846 -1.3786 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -1.9477 -0.9072 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9382 0.3074 0.5568 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9112 -0.8663 0.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9428 -1.1943 -0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8327 -2.0762 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1056 -2.8114 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -0.0881 1.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -0.0035 -0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -1.3792 2.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3799 -1.9399 0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -1.1592 -2.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 1.1090 1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 0.5261 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1244 1.3010 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5893 0.9249 -1.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 2.4745 0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9107 2.0985 -1.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3391 2.8732 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 -3.4367 1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1836 -3.5290 -0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 -1.7839 3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6414 -1.9563 2.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -0.3318 2.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -1.2900 1.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2493 -2.6026 0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -0.7720 -3.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0617 -0.7519 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 -2.2507 -2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5688 2.0230 1.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 0.5429 1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7794 1.3763 0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9907 1.0162 0.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2474 0.3400 -2.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 3.0681 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0504 2.3950 -1.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$