B8FIE1 -OEChem-04022107302D 53 54 0 0 0 0 0 0 0999 V2000 4.5981 5.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 16 1 0 0 0 0 1 27 1 0 0 0 0 2 14 2 0 0 0 0 3 19 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 9 39 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 20 2 0 0 0 0 16 23 1 0 0 0 0 17 19 1 0 0 0 0 17 21 2 0 0 0 0 17 24 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 28 1 0 0 0 0 25 46 1 0 0 0 0 26 29 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$