BU3R2X -OEChem-04022108132D 40 41 0 1 0 0 0 0 0999 V2000 4.5981 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0950 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 5.4641 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5950 0.0000 C 0 0 2 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 2.8660 -2.0950 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 4.5981 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9050 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 5.4641 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 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 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 4.2690 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.7150 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 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 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 6.0010 -0.9050 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 2.3291 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 36 1 0 0 0 0 3 12 2 0 0 0 0 4 16 1 0 0 0 0 4 40 1 0 0 0 0 5 13 2 0 0 0 0 7 6 1 1 0 0 0 6 13 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 11 15 2 0 0 0 0 11 29 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$