BY0WS7 -OEChem-04012114342D 45 49 0 0 0 0 0 0 0999 V2000 9.0526 2.7251 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4461 2.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3882 -0.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1985 -2.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 0.6040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5493 1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1673 1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5552 1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6680 -0.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2488 2.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9700 0.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6620 -0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9717 0.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3712 -0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3825 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7877 -1.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 -1.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9887 0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5835 1.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3995 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 -2.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3044 -0.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 2.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5600 0.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0265 -0.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7205 1.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9877 -0.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0332 -1.9027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5849 0.8541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9408 1.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9488 2.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6507 -0.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0368 -3.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8548 -3.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1705 -2.7007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 2.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 -0.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 1.0898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 10 2 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 19 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 38 1 0 0 0 0 24 27 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$