B2MJE6 -OEChem-04012115472D 31 32 0 0 0 0 0 0 0999 V2000 5.3147 2.9462 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3147 2.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 2.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -3.0538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.9462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -4.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -2.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -4.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 -3.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 -2.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 -0.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 -1.6614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 1.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 1.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 0.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -4.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -2.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -4.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 4.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 4.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 18 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$