B3LFU7 -OEChem-04022103072D 58 60 0 1 0 0 0 0 0999 V2000 3.4037 2.1275 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1319 -3.8450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 2.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 1.2596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9003 2.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1319 -4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1319 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1319 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6678 2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 4.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 1.6308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1319 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6678 3.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8018 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8018 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9357 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9357 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0418 1.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0418 3.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 3.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2659 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2659 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5338 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2047 2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 1.0004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 4.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9232 0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3218 0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 3.4879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0104 0.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6119 0.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9969 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 1.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7098 4.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9368 5.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0898 5.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8028 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9969 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9969 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3998 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6688 -2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6688 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 14 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 57 1 0 0 0 0 8 58 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 29 1 0 0 0 0 12 47 1 0 0 0 0 13 25 1 0 0 0 0 13 48 1 0 0 0 0 14 32 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 1 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 22 25 2 0 0 0 0 22 40 1 0 0 0 0 23 26 2 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 32 1 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 M END $$$$