BVA86K -OEChem-04022103012D 40 41 0 0 0 0 0 0 0999 V2000 5.6808 0.7343 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 4.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 0.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1674 2.1736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4242 2.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 1.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6321 3.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0969 5.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.5758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8494 3.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0957 2.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 2.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6405 -1.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 3.5886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9607 4.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 -0.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7034 5.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2258 6.0746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4904 5.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 11 2 0 0 0 0 4 13 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 28 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 13 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$