B1E3KY -OEChem-04022108322D 48 49 0 0 0 0 0 0 0999 V2000 3.1590 3.8040 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0911 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.4461 4.9629 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.6658 -5.0911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 4.1130 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4680 4.7550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8500 2.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1658 0.4477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8568 -0.5033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 2.2078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 2.2078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 2.7956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3280 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4748 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6658 -1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4259 -0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 2.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6658 -2.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7536 1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 3.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6338 -1.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1690 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5318 -2.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7998 -2.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5318 -3.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7998 -3.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5848 -2.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1201 -0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6658 -4.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6983 2.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 1.9028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2552 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1180 1.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2520 1.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2136 0.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7296 3.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 4.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 -2.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0401 0.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0688 -2.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2628 -2.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0688 -3.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2628 -3.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7137 -2.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5808 -0.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 23 1 0 0 0 0 4 32 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 21 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 13 30 2 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 17 22 2 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 23 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 30 1 0 0 0 0 24 41 1 0 0 0 0 25 31 2 0 0 0 0 25 42 1 0 0 0 0 26 28 1 0 0 0 0 26 43 1 0 0 0 0 27 29 2 0 0 0 0 27 44 1 0 0 0 0 28 32 2 0 0 0 0 28 45 1 0 0 0 0 29 32 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 M CHG 4 2 1 3 1 5 -1 6 -1 M END $$$$