BA8DU6 -OEChem-04012112022D 25 26 0 1 0 0 0 0 0999 V2000 4.6660 -1.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.6830 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5321 -0.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.3516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 0.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 0.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 2.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 1.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 1.6461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2221 2.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 14 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 M END $$$$