BM8R3S -OEChem-04022102143D 85 89 0 1 0 0 0 0 0999 V2000 -0.7071 2.9155 3.1734 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 1.9987 -1.1961 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9257 -1.7590 -2.8041 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3813 -1.1704 -0.9986 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9723 2.6411 0.8740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 1.5844 0.2833 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9066 1.5169 0.8586 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1551 2.2775 -1.6472 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -2.4476 -0.6925 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3239 -0.2561 3.6851 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3577 -5.7341 -1.5462 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2339 3.3249 0.4122 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1894 4.6114 -0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9766 5.5445 -0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 2.4105 -0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3145 2.5127 2.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8927 2.0533 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6204 1.7631 2.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6681 0.8705 -0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4383 6.7386 -1.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7533 6.0462 0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1163 1.3211 -1.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2271 1.4790 1.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 0.8430 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 -0.1012 -0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 0.7816 -3.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 -0.6272 -1.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5796 -0.1951 -3.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9721 0.3514 1.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2125 0.6577 -0.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1782 -1.6636 -1.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2536 -3.4787 -0.5283 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6305 -3.6640 0.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0987 -0.3250 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3390 -0.0186 -1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2113 -2.3890 1.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2822 -0.5100 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6348 -2.6293 3.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2358 -1.3935 3.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7516 -4.7393 -1.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7413 -2.3428 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7689 -3.2908 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0765 -2.5756 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1316 -4.4718 0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4393 -3.7565 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4668 -4.7045 0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 3.6679 1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7306 4.3364 -1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9048 5.1723 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6736 5.0042 -1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4835 0.8196 2.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3931 2.3959 2.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2575 7.3346 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2556 7.3932 -1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0901 6.4021 -2.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 6.5154 1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 6.7875 0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2891 5.2318 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0359 0.7785 1.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 2.4630 2.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3076 1.1156 2.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0859 -0.3960 0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 1.1102 -4.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 -0.6137 -3.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8666 0.4800 2.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5536 0.9926 -1.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1506 -3.1813 -1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7486 -3.9752 1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3638 -4.4764 1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5376 -2.3855 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8285 -0.6767 1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4786 -0.1613 -2.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 -2.0566 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4646 -1.5883 1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7664 -2.9692 3.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3735 -3.4394 3.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1616 -1.1104 3.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4969 -1.6364 4.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 0.5176 4.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4649 -0.5002 4.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7250 -3.1453 -0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8380 -1.8404 -0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3754 -5.2124 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4789 -3.9379 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7494 -5.6245 1.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 3 31 2 0 0 0 0 4 37 1 0 0 0 0 4 41 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 24 1 0 0 0 0 8 15 2 0 0 0 0 8 22 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 70 1 0 0 0 0 10 39 1 0 0 0 0 10 79 1 0 0 0 0 10 80 1 0 0 0 0 11 40 3 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 50 1 0 0 0 0 16 18 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 22 2 0 0 0 0 19 25 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 26 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 27 2 0 0 0 0 25 62 1 0 0 0 0 26 28 2 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 64 1 0 0 0 0 29 34 1 0 0 0 0 29 65 1 0 0 0 0 30 35 2 0 0 0 0 30 66 1 0 0 0 0 32 33 1 0 0 0 0 32 40 1 0 0 0 0 32 67 1 0 0 0 0 33 36 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 37 2 0 0 0 0 34 71 1 0 0 0 0 35 37 1 0 0 0 0 35 72 1 0 0 0 0 36 38 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 38 39 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 42 81 1 0 0 0 0 43 45 2 0 0 0 0 43 82 1 0 0 0 0 44 46 2 0 0 0 0 44 83 1 0 0 0 0 45 46 1 0 0 0 0 45 84 1 0 0 0 0 46 85 1 0 0 0 0 M END $$$$