B83IOK -OEChem-04022101482D 44 46 0 1 0 0 0 0 0999 V2000 6.5256 -0.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 1.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0356 -3.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 -0.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6343 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2166 -1.9247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 0.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7166 0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 1.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 -0.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7166 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -0.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 2.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 0.3135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4487 2.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2166 -1.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4487 3.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7166 2.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3426 2.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 4.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7166 3.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3426 4.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2487 2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6288 -2.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2487 3.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5046 1.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 0.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7947 0.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1932 1.2218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3369 -0.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 -1.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 0.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1797 2.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3354 1.4595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 4.7342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1797 3.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3354 4.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3629 1.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0814 0.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7844 2.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7844 3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6711 -4.1488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 23 1 0 0 0 0 2 43 1 0 0 0 0 3 25 1 0 0 0 0 3 44 1 0 0 0 0 4 23 2 0 0 0 0 5 25 2 0 0 0 0 6 16 2 0 0 0 0 14 7 1 1 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 23 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 25 1 0 0 0 0 17 20 1 0 0 0 0 17 22 2 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 19 24 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 26 1 0 0 0 0 22 38 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$