BKXB96 -OEChem-04022105413D 29 31 0 0 0 0 0 0 0999 V2000 3.5771 0.3951 -0.2804 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8787 0.5780 0.1543 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2753 1.1457 -0.3329 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6608 1.4019 0.0318 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -1.5018 0.0039 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 -0.8413 0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 0.3943 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 0.7693 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3619 -1.0053 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6046 -0.5985 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1592 1.2999 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2376 0.8507 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2951 -0.0542 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7187 -1.8806 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0355 -1.4188 -0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 0.4034 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5835 -0.4140 0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7198 0.4761 0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0033 2.3731 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 1.9176 -0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8045 2.4040 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -2.9550 -0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4007 -1.7618 0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 -2.1624 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2015 -0.9486 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9475 -1.1307 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5072 -0.1026 1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3563 1.2433 1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6183 0.4663 -0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 18 1 0 0 0 0 3 29 1 0 0 0 0 4 8 1 0 0 0 0 4 16 1 0 0 0 0 4 21 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$