BAU10K -OEChem-04012112483D 31 33 0 0 0 0 0 0 0999 V2000 -4.8506 -1.6393 1.5714 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6274 2.3333 -0.5071 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3323 -1.6322 -1.1211 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 2.7321 -1.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 3.3533 0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3737 -2.6176 -1.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -0.9592 -2.6387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 1.5025 -1.4387 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4303 -0.2384 -1.1581 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -2.0049 0.4957 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2415 1.0822 0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0349 -0.0047 0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 0.7465 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9546 1.1160 1.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5264 -1.0462 1.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5954 -0.6416 -0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4155 0.1395 2.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 -0.9597 2.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 1.4298 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5768 -1.3543 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4827 0.7173 0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5207 -0.6748 0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6236 -1.3796 -1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2342 1.0884 -2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3461 1.9203 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1429 0.2451 3.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5009 2.5141 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5426 -1.6920 3.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6281 -2.4389 -0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2131 1.2622 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2842 -3.1059 -1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 6 23 1 0 0 0 0 6 31 1 0 0 0 0 7 23 2 0 0 0 0 8 13 1 0 0 0 0 8 24 1 0 0 0 0 9 12 2 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 18 28 1 0 0 0 0 19 21 2 0 0 0 0 19 27 1 0 0 0 0 20 22 2 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 M END $$$$