BU4O7D -OEChem-04022106122D 31 34 0 0 0 0 0 0 0999 V2000 5.1574 -1.6278 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2410 -1.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2111 -0.3230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1574 -0.0183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 -0.8230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -1.6320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2111 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 -0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 -0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 1.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2410 -1.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7410 -2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7410 -0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7410 -2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7410 -0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2410 -1.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3236 -0.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 -0.2124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 1.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 3.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 -3.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 -0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0510 -3.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0510 -0.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8610 -1.6890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 12 1 0 0 0 0 10 11 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 28 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END $$$$