LKYQ79 -OEChem-05032301232D 40 42 0 0 0 0 0 0 0999 V2000 8.0622 4.0600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0600 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 4.5981 -1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4400 0.0000 N 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 6.3301 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 15 2 0 0 0 0 3 23 2 0 0 0 0 4 24 2 0 0 0 0 5 25 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 16 2 0 0 0 0 8 24 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 18 21 2 0 0 0 0 18 35 1 0 0 0 0 19 23 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 25 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$