B91OPF -OEChem-04022101292D 20 20 0 1 0 0 0 0 0999 V2000 6.9860 -0.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 -1.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 1.2806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -0.0855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4860 0.4145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6200 0.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 -0.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0211 0.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 1.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0094 1.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 -1.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 -1.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 1.8175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6060 1.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2960 -0.9884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 2 10 2 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 11 2 0 0 0 0 7 5 1 6 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 1 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 M END $$$$