BE9V5A -OEChem-04022100492D 57 60 0 1 0 0 0 0 0999 V2000 13.3241 -0.6162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 -1.6162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 0.3838 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 4.1162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 0.1885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -1.4210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6939 2.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4048 1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0261 3.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7369 2.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0476 3.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 0.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -0.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -2.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -2.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5980 0.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4337 1.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3006 2.9617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2122 1.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2187 4.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1302 2.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 28 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 18 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 20 1 0 0 0 0 10 16 1 0 0 0 0 10 17 2 0 0 0 0 21 11 1 6 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 51 1 0 0 0 0 27 31 2 0 0 0 0 27 52 1 0 0 0 0 28 34 1 0 0 0 0 29 33 2 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 33 35 1 0 0 0 0 34 35 2 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 M END $$$$