DR5078 -OEChem-08132116312D 47 47 0 1 0 0 0 0 0999 V2000 5.4641 1.5600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 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 1 0 0 0 0 0 0 0 0 0 8.9282 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3923 0.5600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 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 6.3301 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 19 2 0 0 0 0 3 21 1 0 0 0 0 3 45 1 0 0 0 0 4 21 2 0 0 0 0 5 24 1 0 0 0 0 5 46 1 0 0 0 0 6 24 2 0 0 0 0 7 25 1 0 0 0 0 7 47 1 0 0 0 0 8 25 2 0 0 0 0 15 9 1 6 0 0 0 9 19 1 0 0 0 0 9 38 1 0 0 0 0 10 17 1 0 0 0 0 10 23 2 0 0 0 0 18 11 1 1 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 16 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 1 0 0 0 18 24 1 0 0 0 0 18 37 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 23 25 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$