BU1QT0 -OEChem-04022101072D 22 23 0 0 0 0 0 0 0999 V2000 2.2788 0.9139 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 0.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 0.3261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9522 2.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 3.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 3.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -2.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -2.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -3.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 14 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 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 13 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 M END $$$$