B5LBN8 -OEChem-04012114362D 29 31 0 0 0 0 0 0 0999 V2000 5.3667 2.4101 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2332 1.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 3.6972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6454 0.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 -0.3010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0576 1.4590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1454 -0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1454 -1.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9544 -0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6454 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0576 1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2794 -2.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0114 -2.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 2.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2794 -3.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0114 -3.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 2.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1454 -3.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 2.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7467 -0.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5441 -0.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7425 -2.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5484 -2.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7425 -3.6988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5484 -3.6988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 3.6179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1454 -4.5088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 11 2 0 0 0 0 3 20 1 0 0 0 0 3 29 1 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 7 12 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 17 2 0 0 0 0 14 24 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 19 2 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$