BEN90J -OEChem-04022100392D 42 44 0 1 0 0 0 0 0999 V2000 2.8660 -4.7306 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -0.6373 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.0013 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4362 4.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8038 1.1809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 1.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 2.9035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 0.9719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 1.8854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0349 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 3.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 4.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 3.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 2.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 0.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6049 1.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5209 4.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6043 3.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5740 2.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2188 2.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4849 5.2445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 4.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 3.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4547 4.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1353 3.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2693 3.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1321 2.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.4206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 17 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 12 2 0 0 0 0 6 16 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 1 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$