BK1WJ3 -OEChem-04012115482D 30 32 0 0 0 0 0 0 0999 V2000 5.5686 1.7013 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6172 2.1841 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -0.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7933 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.0431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 2.8227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7933 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4480 3.7933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 1.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 2.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5307 2.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4262 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 0.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0676 2.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8869 4.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 14 2 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 26 1 0 0 0 0 7 16 2 0 0 0 0 7 20 1 0 0 0 0 8 17 1 0 0 0 0 9 20 2 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 23 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 15 18 2 0 0 0 0 15 25 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 M CHG 2 4 -1 8 1 M END $$$$