B1FUX5 -OEChem-04012114382D 29 30 0 0 0 0 0 0 0999 V2000 3.2601 0.5469 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 3.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 2.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 1.3559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -3.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6222 3.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -2.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -2.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -0.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -1.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -3.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -3.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -4.6120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4645 1.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1886 4.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 4.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0558 3.7398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 16 2 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 11 14 2 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M END $$$$