B5M9WZ -OEChem-04022107042D 43 45 0 0 0 0 0 0 0999 V2000 5.1350 2.5950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 2.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 1.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 2.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6199 -0.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6199 3.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0688 0.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0688 2.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 22 1 0 0 0 0 2 10 1 0 0 0 0 2 37 1 0 0 0 0 3 16 2 0 0 0 0 4 26 1 0 0 0 0 4 43 1 0 0 0 0 5 26 2 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 35 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 26 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$