B8PUX3 -OEChem-04022106252D 21 22 0 0 0 0 0 0 0999 V2000 6.3981 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 8 2 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$