B2PXE5 -OEChem-04012117532D 52 55 0 0 0 0 0 0 0999 V2000 10.7263 2.0671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 2.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 2.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 1.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4545 3.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 2.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3186 3.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1865 3.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 2.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -0.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 0.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1975 1.0939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9946 1.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3287 0.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9163 3.3817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7285 1.7725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3162 4.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7222 3.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 30 1 0 0 0 0 2 52 1 0 0 0 0 3 30 2 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 4 10 1 0 0 0 0 5 9 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 33 1 0 0 0 0 9 14 1 0 0 0 0 9 17 2 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 2 0 0 0 0 12 36 1 0 0 0 0 13 16 2 0 0 0 0 13 37 1 0 0 0 0 14 18 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 26 2 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 46 1 0 0 0 0 25 28 2 0 0 0 0 25 47 1 0 0 0 0 26 30 1 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END $$$$