BR9WS3 -OEChem-04022105482D 43 45 0 0 0 0 0 0 0999 V2000 3.4030 -1.7021 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8632 1.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -2.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 2.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.2021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2251 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2251 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9953 1.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7273 1.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2179 2.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2179 -0.8567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6669 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0394 1.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2630 2.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4152 2.3645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 21 1 0 0 0 0 2 19 2 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 6 26 2 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 34 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 17 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 20 2 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 17 26 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 20 33 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$