BO0JH1 -OEChem-04022105342D 55 59 0 1 0 0 0 0 0999 V2000 8.5549 -0.3765 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.6241 -0.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6241 1.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2622 0.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2186 0.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0276 -1.1392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0494 -1.3471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 1.7642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5302 0.3345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5302 1.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7302 0.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3943 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7302 1.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8642 -0.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9981 0.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8642 1.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9981 1.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1321 -0.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -0.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9726 -1.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9671 -1.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -0.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -1.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 -0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 -1.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1263 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5494 -0.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 0.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -1.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5266 -0.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1411 1.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7393 1.9599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9939 -0.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7910 -0.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8642 -0.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8642 2.4754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4612 1.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7962 -1.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5244 -1.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3192 0.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0259 -2.2871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9303 0.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6370 -2.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8143 -0.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6621 -0.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4384 0.3603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 -2.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 0.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -1.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 28 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 12 1 0 0 0 0 4 27 1 0 0 0 0 5 18 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 18 2 0 0 0 0 7 28 2 0 0 0 0 8 34 3 0 0 0 0 9 10 1 0 0 0 0 9 12 1 6 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 29 1 0 0 0 0 21 30 2 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 29 31 2 0 0 0 0 29 34 1 0 0 0 0 30 32 1 0 0 0 0 30 52 1 0 0 0 0 31 33 1 0 0 0 0 31 53 1 0 0 0 0 32 33 2 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 M END $$$$