BJDT18 -OEChem-04012113202D 38 40 0 1 0 0 0 0 0999 V2000 5.3147 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.4945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.9067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5827 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 1.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 0.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -0.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 0.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0687 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 6 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 26 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 M END $$$$