B86DMR -OEChem-04012119242D 31 32 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 15 2 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 M CHG 2 3 -1 5 1 M END $$$$