B5MU4A -OEChem-04022108172D 43 46 0 0 0 0 0 0 0999 V2000 5.7490 -1.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -1.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.4047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 0.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 1.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 1.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 2.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 -1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0728 -2.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7524 -3.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5494 -3.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0729 -0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 -1.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 -0.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7524 -0.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -0.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 -0.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 3.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 3.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 2.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 2.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -0.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 -0.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 1.6183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 1.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 17 1 0 0 0 0 13 19 2 0 0 0 0 14 20 1 0 0 0 0 14 34 1 0 0 0 0 15 21 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 23 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 M END $$$$