B1BR9K -OEChem-04012120322D 45 46 0 1 0 0 0 0 0999 V2000 5.4641 -0.9050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -2.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 2.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 1.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 18 1 0 0 0 0 2 41 1 0 0 0 0 3 18 2 0 0 0 0 4 24 2 0 0 0 0 5 14 1 0 0 0 0 5 24 1 0 0 0 0 5 34 1 0 0 0 0 6 16 1 0 0 0 0 6 23 2 0 0 0 0 7 25 1 0 0 0 0 7 26 2 0 0 0 0 8 26 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 26 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 18 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 19 2 0 0 0 0 15 21 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$