BEH2D3 -OEChem-04022107432D 43 46 0 1 0 0 0 0 0999 V2000 7.7619 2.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1179 -2.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7911 -1.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4187 -0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.9766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3147 0.1273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2276 1.1235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7808 0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6936 1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3664 0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1754 2.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7759 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4751 -3.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3888 -0.7195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1535 1.9703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8705 -0.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3966 0.4574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3094 1.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6039 1.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7469 0.8109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2538 0.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6655 2.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8571 2.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 3.1843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0002 -2.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0766 -3.6592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9501 -3.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 3.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 35 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 14 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 5 18 1 0 0 0 0 5 20 2 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 1 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 26 1 6 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 15 16 3 0 0 0 0 16 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$