BDW2H6 -OEChem-04012118002D 45 48 0 1 0 0 0 0 0999 V2000 4.4487 -1.5321 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -2.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 -0.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 0.3226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 -0.7768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 -2.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.0321 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0134 1.6097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -3.3368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.0376 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5000 0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -1.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -3.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -1.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 -2.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 3.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4507 2.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2918 3.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2428 3.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 -0.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 0.7600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 0.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -1.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -1.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -0.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -1.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4237 1.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -3.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -4.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1856 -3.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8365 1.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 3.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0404 2.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1628 4.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7036 4.0320 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 2 0 0 0 0 5 22 2 0 0 0 0 6 23 2 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 8 37 1 0 0 0 0 9 19 1 0 0 0 0 9 23 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 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 36 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 39 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$