B4F8MO -OEChem-04022118363D 39 42 0 0 0 0 0 0 0999 V2000 -6.1559 0.9999 1.8069 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2088 -0.8385 2.4685 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4463 -3.8419 -0.7532 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2213 -1.7607 1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1121 -1.5350 -0.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3753 -0.8454 -0.0601 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3825 0.4771 -1.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2955 0.8361 -1.7749 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4588 0.8672 -2.5175 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9526 4.5645 0.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -0.2431 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6951 -1.6316 -0.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0439 -0.1498 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8745 -2.7052 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 0.9374 -0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1593 -1.4311 0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 -1.3591 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6293 1.0995 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3108 -2.5550 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4395 -0.4990 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6664 0.0778 0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 2.1794 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8639 2.2609 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0935 0.4610 -0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 0.2434 1.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7526 -0.2133 2.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4646 3.5321 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1699 1.0725 -2.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4588 -0.9268 -1.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4639 -2.6312 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 0.9386 -0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9044 -1.2735 0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6869 1.1633 0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9096 -3.4575 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 -0.6334 -1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 3.0758 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0856 -0.2131 3.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2342 0.2432 -0.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8578 1.4047 -3.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 14 2 0 0 0 0 4 16 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 6 35 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 38 1 0 0 0 0 8 24 2 0 0 0 0 8 28 1 0 0 0 0 9 28 2 0 0 0 0 10 27 3 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 22 2 0 0 0 0 15 31 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 23 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 27 1 0 0 0 0 25 26 2 0 0 0 0 26 37 1 0 0 0 0 28 39 1 0 0 0 0 M END $$$$