BR3J5P -OEChem-04022107022D 42 45 0 0 0 0 0 0 0999 V2000 5.9440 -1.5526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5352 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8671 2.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 -1.5526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.0352 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4540 -4.2262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 -3.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0527 -3.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4649 -4.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 -5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8717 -4.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 4.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9994 -3.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8005 -2.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8483 -3.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1184 -5.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5072 -5.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 24 1 0 0 0 0 2 21 1 0 0 0 0 2 40 1 0 0 0 0 3 21 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 17 2 0 0 0 0 6 20 1 0 0 0 0 7 16 1 0 0 0 0 8 25 1 0 0 0 0 8 28 2 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 16 1 0 0 0 0 10 18 2 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 19 23 1 0 0 0 0 19 34 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 27 29 2 0 0 0 0 27 39 1 0 0 0 0 28 29 1 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$