BNU98V -OEChem-04022105162D 58 60 0 0 0 0 0 0 0999 V2000 4.5981 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5000 0.0000 O 0 0 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 4.5981 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 N 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 3.7320 1.5000 0.0000 C 0 0 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 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 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 3.7320 -2.5000 0.0000 C 0 0 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 4.5981 -3.0000 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 -4.0000 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 6.3301 7.0000 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 8.0622 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -7.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -6.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -8.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 4 15 1 0 0 0 0 4 21 1 0 0 0 0 5 15 2 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 30 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 17 19 2 0 0 0 0 17 42 1 0 0 0 0 18 20 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 25 28 2 0 0 0 0 25 49 1 0 0 0 0 26 30 1 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 M END $$$$