BH8QO1 -OEChem-04022107262D 53 55 0 0 0 0 0 0 0999 V2000 4.5981 6.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 1 32 1 0 0 0 0 2 24 1 0 0 0 0 3 18 2 0 0 0 0 4 25 2 0 0 0 0 7 12 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 25 1 0 0 0 0 11 45 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 24 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 25 26 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 30 31 2 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M CHG 2 7 -1 12 1 M END $$$$