BLU89J -OEChem-04012112582D 42 43 0 1 0 0 0 0 0999 V2000 3.0000 1.6900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -5.3100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 4.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 3.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5981 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 2.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 3.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3520 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 24 1 0 0 0 0 5 13 1 0 0 0 0 5 38 1 0 0 0 0 6 13 2 0 0 0 0 9 7 1 6 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$