BA4IG6 -OEChem-04022108212D 44 47 0 1 0 0 0 0 0999 V2000 6.2740 1.2846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2624 4.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2740 1.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 1.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2729 -0.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2729 -4.0399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2701 2.2846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.7846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.2846 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3958 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1342 2.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4022 2.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2778 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 -1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5836 -3.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3798 -0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1304 3.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3983 3.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1799 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 -1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -4.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7183 -2.8369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3485 2.2062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7444 2.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7912 2.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1924 2.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8393 0.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7414 3.6826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3402 4.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 4.3631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7882 3.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 0.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7052 -1.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7758 -4.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -4.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0158 -4.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 19 2 0 0 0 0 8 22 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 21 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 22 2 0 0 0 0 15 18 2 0 0 0 0 15 23 1 0 0 0 0 18 32 1 0 0 0 0 19 24 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$