BM95QP -OEChem-04022110082D 39 41 0 0 0 0 0 0 0999 V2000 2.5369 -0.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 -0.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0016 2.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 0.6101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 1.5612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 0.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 0.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7722 0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 1.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5643 1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7233 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3074 2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4664 1.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2585 2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9527 2.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 0.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1334 2.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9746 2.1400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8522 0.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -3.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -2.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1785 3.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0561 1.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7611 2.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5424 2.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1443 3.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 36 1 0 0 0 0 2 12 2 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 24 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$