B1YH7D -OEChem-04012118172D 27 28 0 0 0 0 0 0 0999 V2000 4.8913 1.2071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 -0.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -0.3807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 1.2071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 2.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 -3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -3.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6192 -0.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 -2.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6192 -2.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9467 2.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 -3.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6192 -3.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -4.5007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9677 3.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 4.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 4.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 8 2 0 0 0 0 3 13 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 11 15 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$