BP5KQ3 -OEChem-04012119582D 27 27 0 1 0 0 0 0 0999 V2000 2.0000 -1.9594 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 1.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 0.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0406 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5411 1.6284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2320 2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 1.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 2.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 3.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 1.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 1.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 3.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 2.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -1.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8249 1.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 27 1 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 M END $$$$