B9ETK3 -OEChem-04022108162D 36 38 0 1 0 0 0 0 0999 V2000 4.4026 1.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 2.2418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 3.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9405 0.6537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 0.6554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 1.6554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.3480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 1.9660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2479 -0.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8463 2.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5889 -0.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 2.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6579 -0.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4385 -0.8862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8379 -0.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2496 0.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2514 1.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 3.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 3.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6886 2.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 3.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 11 2 1 1 0 0 0 2 31 1 0 0 0 0 3 16 1 0 0 0 0 3 33 1 0 0 0 0 10 4 1 1 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 6 17 1 0 0 0 0 6 18 2 0 0 0 0 7 20 2 0 0 0 0 8 19 2 0 0 0 0 8 20 1 0 0 0 0 9 19 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 1 0 0 0 13 16 1 6 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 20 34 1 0 0 0 0 M END $$$$