LBJ4D1 -OEChem-05022322132D 21 20 0 1 0 0 0 0 0999 V2000 3.7320 -0.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 11 1 0 0 0 0 3 21 1 0 0 0 0 4 11 2 0 0 0 0 7 5 1 6 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 M END $$$$