BKRB80 -OEChem-04012117172D 29 31 0 1 0 0 0 0 0999 V2000 7.8044 -1.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 1.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9805 -2.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 0.3639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2592 -0.7239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 1.8639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5682 -1.6749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -0.1361 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2022 0.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8773 -0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 1.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5682 -1.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9191 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6528 -0.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -0.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 2.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9327 -2.1765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0268 -0.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.6452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8114 1.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 2.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 1.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 13 2 0 0 0 0 3 15 2 0 0 0 0 4 18 1 0 0 0 0 4 29 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 12 17 1 0 0 0 0 14 18 2 0 0 0 0 14 21 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$