BD1I0L -OEChem-04022108213D 22 23 0 1 0 0 0 0 0999 V2000 -2.1318 1.5660 0.5732 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0804 -2.4863 -0.4571 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9827 0.8567 -0.3598 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 1.1946 -1.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 -0.2659 0.3652 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4646 -0.7796 -0.4613 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0594 0.1655 0.8357 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6530 0.6778 1.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -1.3223 0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -1.4599 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 0.7962 -0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5781 0.0122 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6907 1.1631 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6754 -0.1181 -0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 0.4092 1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3995 0.6353 2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 1.7026 0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9452 -1.8728 1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6059 -1.7406 -0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3705 1.2598 -1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5163 1.8583 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5279 -0.6214 -0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 10 2 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 12 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 M END $$$$