B1PWK3 -OEChem-04012117012D 26 27 0 0 0 0 0 0 0999 V2000 6.3301 -2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 19 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 M END $$$$