B91IMY -OEChem-04022107092D 41 43 0 1 0 0 0 0 0999 V2000 4.4487 -1.1975 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -2.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 -0.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 2.6134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 -0.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 -2.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.6975 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9930 -3.0022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.2970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5000 0.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 0.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 1.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 -2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 3.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 0.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 1.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 0.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -1.4687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -1.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -0.8219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 1.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 2.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4385 1.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -3.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.8175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1856 -3.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1551 3.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4197 4.1980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9422 3.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 4 14 1 0 0 0 0 4 23 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 1 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 20 2 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$