B5IT3U -OEChem-04022105222D 52 53 0 1 0 0 0 0 0999 V2000 5.4641 2.4400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.9400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 3.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 4.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -3.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -6.0600 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 7 1 0 0 0 0 1 13 1 0 0 0 0 4 14 1 0 0 0 0 4 46 1 0 0 0 0 5 14 2 0 0 0 0 6 27 2 0 0 0 0 10 7 1 1 0 0 0 7 31 1 0 0 0 0 8 24 1 0 0 0 0 8 27 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 10 14 1 0 0 0 0 10 30 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 17 20 2 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 23 2 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END $$$$