B2YIT4 -OEChem-04022100492D 57 60 0 1 0 0 0 0 0999 V2000 13.3241 1.8662 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 2.8662 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 0.8662 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3662 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 -2.8662 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6338 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 1.0615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 2.6710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 1.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 1.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4048 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6939 -1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7369 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0261 -2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0476 -2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 2.9488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 2.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 3.3412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 3.3412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4337 -0.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5980 0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2122 0.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3006 -1.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1302 -1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2187 -2.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4438 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 13 1 0 0 0 0 8 14 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 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 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 $$$$