DR2218 -OEChem-05042004262D 44 44 0 0 0 0 0 0 0999 V2000 3.7320 -3.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 4.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2320 -4.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -2.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 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 4.5981 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 13 17 1 0 0 0 0 13 30 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 18 23 1 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 19 34 1 0 0 0 0 20 25 2 0 0 0 0 20 35 1 0 0 0 0 21 26 2 0 0 0 0 21 36 1 0 0 0 0 22 29 1 0 0 0 0 22 37 1 0 0 0 0 23 27 2 0 0 0 0 23 38 1 0 0 0 0 24 28 2 0 0 0 0 24 39 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 29 31 2 0 0 0 0 29 42 1 0 0 0 0 30 31 1 0 0 0 0 30 43 1 0 0 0 0 31 44 1 0 0 0 0 M CHG 4 3 1 4 1 7 -1 8 -1 M END $$$$