B3NL8K -OEChem-04022108572D 20 20 0 1 0 0 0 0 0999 V2000 3.4030 -2.9050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 20 1 0 0 0 0 3 9 2 0 0 0 0 5 4 1 6 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 11 2 0 0 0 0 8 15 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 M END $$$$