BR5VK9 -OEChem-04012114192D 55 57 0 0 0 0 0 0 0999 V2000 7.1671 0.3799 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.8490 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7150 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 13.7744 0.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4852 -2.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9409 -0.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9409 -2.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1280 0.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.7150 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6340 2.3490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 3.3490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9718 1.7737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0850 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5390 -1.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4852 -0.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3957 2.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0355 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1345 1.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5390 -2.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7959 0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6729 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8069 -1.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6729 -2.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8069 -2.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0688 -1.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9409 0.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0749 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 1.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 1.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9409 -3.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9850 1.9549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5883 2.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8064 2.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8429 0.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6249 0.6937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2282 1.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3271 2.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5452 1.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9419 0.9183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6729 -0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6729 -3.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6888 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5515 0.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1530 0.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 0.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 3.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 3.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3209 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9409 -4.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5609 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 4 14 1 0 0 0 0 4 21 1 0 0 0 0 5 20 1 0 0 0 0 5 26 1 0 0 0 0 6 23 1 0 0 0 0 6 27 1 0 0 0 0 7 25 1 0 0 0 0 7 35 1 0 0 0 0 8 21 2 0 0 0 0 9 33 1 0 0 0 0 13 28 2 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 22 2 0 0 0 0 16 21 1 0 0 0 0 16 26 2 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 24 2 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 2 0 0 0 0 31 50 1 0 0 0 0 32 34 2 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 M CHG 2 3 1 10 -1 M END $$$$