B9XAK1 -OEChem-04022102162D 56 57 0 1 0 0 0 0 0999 V2000 3.0000 -1.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.9400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8660 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 2.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0841 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8441 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3267 2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5297 2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0632 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0632 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 15 2 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 6 19 1 0 0 0 0 6 51 1 0 0 0 0 7 19 2 0 0 0 0 8 22 2 0 0 0 0 11 9 1 6 0 0 0 9 15 1 0 0 0 0 9 36 1 0 0 0 0 13 10 1 6 0 0 0 10 22 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 12 19 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 37 1 0 0 0 0 14 16 2 0 0 0 0 14 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 21 25 2 0 0 0 0 21 45 1 0 0 0 0 23 26 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 27 2 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 50 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 31 2 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 M END $$$$