B5HGW3 -OEChem-04022107323D 41 44 0 1 0 0 0 0 0999 V2000 -3.7597 -2.1475 -1.2188 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9613 2.7408 0.9203 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8788 0.2895 -1.0891 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -0.4923 -0.1863 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.5737 -1.6292 2.0458 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 0.8360 -1.0367 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 0.6705 -0.0399 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2435 -0.0853 0.0234 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5622 -1.0109 1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 -0.6537 1.1689 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4784 -0.1011 -1.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5912 -0.6092 -0.2245 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3198 0.3377 -1.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -0.4801 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 0.4288 -0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7422 -0.0222 0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 -0.1383 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0772 0.1423 0.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0469 -0.9484 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3401 1.1078 0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6645 1.5437 0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3713 -0.5126 -0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6801 0.7334 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 0.9370 0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0327 -0.9407 2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -2.0559 0.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9784 0.3330 1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8852 0.6130 -2.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 -1.0905 -1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 -1.6078 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 1.3458 -1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3052 -0.1713 -2.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4715 -1.4839 1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0404 0.2362 1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1157 -1.6302 2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 -1.3556 2.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1982 1.2262 -1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5761 -0.0872 1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5634 1.7595 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1618 -1.1436 -1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7111 1.0732 -0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 21 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 37 1 0 0 0 0 7 18 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 28 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 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$