BK80BA -OEChem-04022106042D 36 39 0 1 0 0 0 0 0999 V2000 5.5878 -1.1966 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2093 2.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 0.1124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 0.4214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4851 -1.1923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0687 -0.3876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.3876 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5000 0.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5388 -0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4851 0.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7957 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7473 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7490 2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7985 2.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -0.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 0.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 1.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.0984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 0.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -2.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2483 1.3097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2513 3.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 3.5757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 18 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 12 2 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 13 16 1 0 0 0 0 13 29 1 0 0 0 0 14 17 2 0 0 0 0 14 30 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$