BWN8D1 -OEChem-04012118472D 28 28 0 1 0 0 0 0 0999 V2000 6.0010 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 1.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 0.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -2.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 28 1 0 0 0 0 2 14 2 0 0 0 0 7 3 1 1 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 M END $$$$