BUI4J1 -OEChem-04022102132D 54 56 0 1 0 0 0 0 0999 V2000 11.5263 2.4050 0.0000 O 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 6.3301 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0950 0.0000 N 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 8.0622 -1.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.4050 0.0000 C 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 8.9282 0.9050 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 4.5981 2.4050 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 8.0622 -0.5950 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 3.7320 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 2.8660 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0950 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 7.1962 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 2.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 2.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 1.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7850 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 4.8101 2.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0250 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 8.5991 -1.9050 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 2.8660 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -2.2027 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 7.4082 -3.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -2.9873 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 6.3301 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 24 1 0 0 0 0 2 53 1 0 0 0 0 3 24 2 0 0 0 0 4 29 1 0 0 0 0 4 54 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 41 1 0 0 0 0 7 17 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 8 42 1 0 0 0 0 9 17 2 0 0 0 0 9 21 1 0 0 0 0 10 20 1 0 0 0 0 10 21 2 0 0 0 0 11 21 1 0 0 0 0 11 27 1 0 0 0 0 11 45 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 22 25 1 0 0 0 0 22 43 1 0 0 0 0 23 26 2 0 0 0 0 23 44 1 0 0 0 0 25 28 2 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$