LKJ4F3 -OEChem-05032301202D 22 23 0 0 0 0 0 0 0999 V2000 2.5369 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 1.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5337 1.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9994 2.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2706 2.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 2 13 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 9 12 2 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 21 1 0 0 0 0 M END $$$$