BJSH04 -OEChem-04012118202D 52 55 0 0 0 0 0 0 0999 V2000 10.5722 1.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -0.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0941 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4088 2.1464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2454 1.1519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0544 2.5531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2235 0.9440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7235 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 -2.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7916 -1.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -2.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 -0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -3.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 -0.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -3.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1873 0.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -2.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5941 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -2.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -4.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6768 2.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7632 2.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5428 2.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5428 3.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2748 2.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4088 4.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2748 3.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1409 2.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3416 -2.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9864 -2.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8348 -0.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -0.9422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4336 -1.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7887 -1.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7428 -1.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3877 -1.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9403 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5851 -3.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2361 0.5444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5912 0.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 -1.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -4.5435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -1.9222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -4.7128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -3.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6343 3.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0058 3.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4088 4.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8118 3.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4757 0.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 23 1 0 0 0 0 2 16 2 0 0 0 0 3 19 2 0 0 0 0 3 24 1 0 0 0 0 4 25 2 0 0 0 0 4 27 1 0 0 0 0 5 7 1 0 0 0 0 5 30 2 0 0 0 0 6 8 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 52 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 18 21 2 0 0 0 0 18 44 1 0 0 0 0 20 22 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END $$$$