BK9EH8 -OEChem-04022108583D 42 45 0 0 0 0 0 0 0999 V2000 3.1195 0.9887 -0.4595 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 0.9881 0.4565 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 1.0448 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 1.0447 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 1.0477 -0.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7416 1.0475 0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8444 -0.1629 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8434 -0.1632 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1195 0.2241 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1185 0.2239 -0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8902 2.0875 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8893 2.0872 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1337 1.6466 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1328 1.6465 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4726 -1.5040 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4717 -1.5042 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 -0.7743 0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0711 -0.7745 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 -2.4768 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4329 -2.4770 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 -2.1199 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7132 -2.1202 -0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8921 0.1637 0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8956 1.9207 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8914 0.1637 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 1.9205 -0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6299 1.9605 -1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5656 0.2072 -1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6343 1.9612 1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5699 0.2058 1.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 3.0893 -0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4947 3.0892 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9636 2.2806 0.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9627 2.2804 -0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4778 -1.7930 -0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4769 -1.7932 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0735 -0.5102 0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0726 -0.5104 -0.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1773 -3.5281 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1761 -3.5283 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4447 -2.8944 0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4436 -2.8946 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 15 2 0 0 0 0 8 10 1 0 0 0 0 8 16 2 0 0 0 0 9 13 1 0 0 0 0 9 17 2 0 0 0 0 10 14 1 0 0 0 0 10 18 2 0 0 0 0 11 13 2 0 0 0 0 11 31 1 0 0 0 0 12 14 2 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 21 1 0 0 0 0 17 37 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$