BVRE50 -OEChem-04022106072D 40 42 0 0 0 0 0 0 0999 V2000 9.3307 2.9776 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 0.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 2.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 0.3011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.5612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 0.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 0.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8934 1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6365 2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 1.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5876 2.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2818 2.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 -0.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 2.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3037 2.1400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1813 0.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5076 3.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3852 1.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0902 2.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8714 2.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4734 3.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 2 12 1 0 0 0 0 2 23 1 0 0 0 0 3 10 2 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 25 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 12 15 2 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 19 2 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 21 2 0 0 0 0 18 30 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$