BN7JE6 -OEChem-04022105303D 43 45 0 0 0 0 0 0 0999 V2000 -5.1556 -1.6540 -1.5863 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3909 2.4871 0.7761 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 -3.3128 1.4396 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4498 1.3487 0.3586 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -0.9746 0.2556 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -2.6456 1.2217 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2224 2.1838 -0.9911 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1922 -0.5647 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 -1.1975 0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7717 -0.3148 0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5325 0.3362 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2398 0.3857 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5563 -1.7219 0.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 -2.4804 1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0637 0.2922 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2812 1.4045 0.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1622 -0.6913 -0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5409 -0.6507 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6598 1.4452 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2897 0.4176 -0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 -0.0816 -0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9774 1.7510 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4404 0.8500 -0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9934 2.6006 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3299 -2.7159 -2.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6836 3.5033 1.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5169 0.5840 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1016 -1.7826 0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5761 -2.0157 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9683 -3.4966 1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7478 2.1758 1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -1.4893 -1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3642 0.4491 -0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7544 -1.1333 -0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 2.1741 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4306 0.5369 -1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8414 3.6746 -0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8531 -3.2577 -1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 -2.3617 -2.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9852 -3.4286 -2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9597 4.0146 0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2244 3.1115 2.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4196 4.2526 1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 25 1 0 0 0 0 2 19 1 0 0 0 0 2 26 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 28 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 30 1 0 0 0 0 7 23 2 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 27 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 21 2 0 0 0 0 12 22 1 0 0 0 0 13 29 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 24 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$