LJY3D9 -OEChem-05032301132D 52 52 0 0 0 0 0 0 0999 V2000 4.5981 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4050 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 5.4641 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.9050 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 6.3301 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -4.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -5.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -4.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -6.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -6.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -7.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 6.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 51 1 0 0 0 0 4 25 1 0 0 0 0 4 52 1 0 0 0 0 5 25 2 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 18 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 M END $$$$