BRU91O -OEChem-04022112163D 31 33 0 0 0 0 0 0 0999 V2000 -3.7785 -0.2336 2.5571 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.6859 -0.3509 -0.0540 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 2.3023 -1.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1305 2.4231 0.1171 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0438 3.1520 0.6471 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 0.3672 -0.1974 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 -1.0311 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5104 -1.4164 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4161 0.8306 0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2438 -0.2350 0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0852 1.1872 -0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2543 -1.9984 -0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8338 -2.7874 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3336 0.8064 -0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5977 -3.3518 -0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8702 -3.7434 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7983 2.2056 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8524 0.4968 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1561 0.7562 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1937 0.1372 0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4973 0.3964 -1.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0161 0.0870 -0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 -0.1810 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7415 -1.7322 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8258 -3.1040 0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1424 -4.1065 -0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1184 -4.7995 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2078 0.5403 1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7626 0.9928 -2.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1237 0.3619 -2.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3663 3.3697 0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 22 1 0 0 0 0 3 11 2 0 0 0 0 4 17 1 0 0 0 0 4 31 1 0 0 0 0 5 17 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 23 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 M END $$$$