BK3UH5 -OEChem-04022109342D 59 61 0 1 0 0 0 0 0999 V2000 2.8870 2.4403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 3.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2729 2.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 2.1743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2619 1.6743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1719 2.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 1.6743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3798 3.2158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2619 0.6743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1799 3.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 3.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7531 2.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1718 2.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6618 1.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 1.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -2.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -2.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -3.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -4.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9947 1.2436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3738 3.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7899 3.1119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3935 3.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6751 4.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8769 4.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 3.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3545 3.4153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2781 2.5418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1646 1.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7918 2.1624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1213 1.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9656 0.7689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 1.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 0.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 -0.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 3.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5009 4.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6045 -1.4334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 -0.7431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3834 -2.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7819 -2.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4705 -2.9334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 -2.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2494 -3.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6479 -4.4083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4160 -4.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 -4.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 -3.7888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 1 0 0 0 1 47 1 0 0 0 0 11 2 1 6 0 0 0 2 48 1 0 0 0 0 12 3 1 6 0 0 0 3 22 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 20 2 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 6 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 28 1 1 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END $$$$