BUD4J7 -OEChem-04012119352D 46 49 0 0 0 0 0 0 0999 V2000 3.4782 1.0055 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0888 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 3.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 0.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 28 1 0 0 0 0 2 15 2 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 4 36 1 0 0 0 0 5 14 1 0 0 0 0 5 17 2 0 0 0 0 6 14 2 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 23 2 0 0 0 0 19 22 2 0 0 0 0 19 37 1 0 0 0 0 20 24 1 0 0 0 0 20 38 1 0 0 0 0 21 25 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 27 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$