BFUN98 -OEChem-04022117213D 39 40 0 0 0 0 0 0 0999 V2000 -6.1820 1.3719 -1.1999 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.5626 -1.2338 -0.5961 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3812 2.5744 0.7264 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1782 -3.6509 -0.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2501 -2.9703 0.4978 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 0.1814 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 0.1678 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0017 0.0509 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9305 0.3871 0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1165 0.0132 1.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0453 0.4539 -0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4645 -0.2073 0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4132 0.6401 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3879 0.8668 0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -1.3850 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5557 0.4738 -0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5275 0.6729 -1.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4791 1.5478 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9545 2.7257 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3839 -2.6804 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 1.1136 1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5488 -0.6341 1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 -0.7881 -0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3975 0.9515 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 -0.8523 -0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8322 0.8930 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1295 -0.4279 1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 1.3194 0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 -0.7898 1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 0.9425 1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 1.2829 -1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -0.4687 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4263 1.5735 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6028 -0.1778 0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 -0.2617 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3851 1.4990 -1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4963 0.8080 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4241 3.6999 0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -4.5276 -0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 14 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 4 39 1 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 2 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 19 38 1 0 0 0 0 M END $$$$