B2XWK5 -OEChem-04022104552D 39 41 0 0 0 0 0 0 0999 V2000 5.4641 2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 11 1 0 0 0 0 2 20 1 0 0 0 0 3 24 2 0 0 0 0 4 17 1 0 0 0 0 4 24 1 0 0 0 0 4 39 1 0 0 0 0 5 17 2 0 0 0 0 5 20 1 0 0 0 0 6 20 2 0 0 0 0 6 24 1 0 0 0 0 7 25 3 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 16 2 0 0 0 0 12 25 1 0 0 0 0 13 18 1 0 0 0 0 13 30 1 0 0 0 0 14 21 1 0 0 0 0 14 31 1 0 0 0 0 15 22 2 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$