BRUO25 -OEChem-04022105442D 37 39 0 1 0 0 0 0 0999 V2000 5.9242 1.3174 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7029 2.7142 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3061 2.4930 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9396 1.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0864 -2.7142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -1.5602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.0962 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3364 0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1151 1.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -1.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -1.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -0.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -1.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0443 -2.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6907 -0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 1.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -1.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 1.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -1.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 0.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 1.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -1.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 -2.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4574 -2.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5066 -1.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2796 -0.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8846 -0.0215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1018 -0.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 29 1 0 0 0 0 5 21 2 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 16 2 0 0 0 0 13 18 2 0 0 0 0 13 24 1 0 0 0 0 14 17 2 0 0 0 0 14 25 1 0 0 0 0 15 19 1 0 0 0 0 15 26 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$