BBK1J3 -OEChem-04012119012D 38 40 0 1 0 0 0 0 0999 V2000 3.4782 1.9772 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -0.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9407 0.4480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.4827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3147 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9407 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8468 2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8468 0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -0.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 2.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -0.0305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 -2.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 -1.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9336 3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.2543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 2.7515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -0.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3825 2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3825 0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4066 -1.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 -3.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 9 1 0 0 0 0 2 33 1 0 0 0 0 3 15 2 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 10 13 2 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 26 1 0 0 0 0 14 18 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 16 22 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$