BR3KO2 -OEChem-04022118113D 31 33 0 0 0 0 0 0 0999 V2000 -0.1764 0.7880 -0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2391 -1.8555 -0.0493 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8456 -2.9284 -0.1153 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2061 -0.1361 2.2578 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4323 2.8892 0.0273 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1433 0.6413 -0.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1772 -0.5891 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 0.6511 -0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6022 -0.3591 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0551 -0.0975 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3547 -1.8081 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1084 -1.6074 -0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5714 -0.6684 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 1.8225 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 0.0037 1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6911 1.7476 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3261 0.5049 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6948 0.0514 -1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1718 0.2514 0.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0664 0.2992 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 0.3992 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7411 -2.4874 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 2.7918 -0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4118 0.4453 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1343 -0.0226 -2.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7493 0.3298 1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5539 0.4137 -2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6149 -2.5970 -0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8778 -0.0351 2.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3757 2.6524 0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 0.6793 0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 28 1 0 0 0 0 3 11 2 0 0 0 0 4 15 1 0 0 0 0 4 29 1 0 0 0 0 5 16 1 0 0 0 0 5 30 1 0 0 0 0 6 21 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 15 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 17 24 1 0 0 0 0 18 20 2 0 0 0 0 18 25 1 0 0 0 0 19 21 2 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 M END $$$$