BUFX60 -OEChem-04022105542D 48 51 0 0 0 0 0 0 0999 V2000 3.3734 -0.4655 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -2.0533 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2984 4.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -4.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5013 2.2081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 3.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 4.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4958 2.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0946 1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9026 3.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6824 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8971 3.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3148 4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6824 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 -1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3038 4.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7215 4.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 5.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 -2.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3164 -2.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 -2.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3164 -3.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 -3.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 -4.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -5.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 2.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 4.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5372 4.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 3.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6533 2.9099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4526 1.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0974 2.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2615 2.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6982 3.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0468 0.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5810 -0.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3571 5.4504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 5.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5853 -2.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5506 4.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5853 -3.8633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 -4.6733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8303 -5.0533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -5.6733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0703 -5.0533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 23 1 0 0 0 0 3 11 2 0 0 0 0 4 19 1 0 0 0 0 4 43 1 0 0 0 0 5 25 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 14 19 1 0 0 0 0 14 36 1 0 0 0 0 15 20 2 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$