BR5K1O -OEChem-04012117272D 46 48 0 0 0 0 0 0 0999 V2000 7.8376 1.6605 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8048 1.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6238 -0.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8158 1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6466 3.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 2.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2225 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2170 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7755 3.6682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9324 2.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6209 0.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2658 -0.0795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4214 1.1787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 23 1 0 0 0 0 2 43 1 0 0 0 0 3 21 2 0 0 0 0 4 26 1 0 0 0 0 4 44 1 0 0 0 0 5 27 1 0 0 0 0 5 45 1 0 0 0 0 6 28 1 0 0 0 0 6 46 1 0 0 0 0 7 27 2 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 13 2 0 0 0 0 11 16 2 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 27 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 21 24 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 26 1 0 0 0 0 24 40 1 0 0 0 0 25 29 2 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 29 42 1 0 0 0 0 M END $$$$