BU9W3C -OEChem-04012112242D 40 41 0 1 0 0 0 0 0999 V2000 2.8660 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 35 1 0 0 0 0 2 9 2 0 0 0 0 3 12 2 0 0 0 0 4 23 1 0 0 0 0 4 40 1 0 0 0 0 6 5 1 6 0 0 0 5 12 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 14 2 0 0 0 0 11 29 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$