LKT4S2 -OEChem-05032301222D 40 42 0 0 0 0 0 0 0999 V2000 7.7806 0.0172 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7523 3.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9716 1.4185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3565 2.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9497 1.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3510 2.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7687 3.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7577 3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1754 4.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 4.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1590 4.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7154 2.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1521 3.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8110 4.7641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4221 4.9334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0663 0.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.7661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -4.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.1961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7254 4.3239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4112 5.1425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5926 4.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 12 1 0 0 0 0 2 25 1 0 0 0 0 3 24 1 0 0 0 0 3 40 1 0 0 0 0 4 24 2 0 0 0 0 5 9 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 36 1 0 0 0 0 7 21 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 16 2 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 14 2 0 0 0 0 11 27 1 0 0 0 0 12 15 2 0 0 0 0 13 17 1 0 0 0 0 13 19 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 24 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 23 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$