B2K7FE -OEChem-04012119262D 44 46 0 0 0 0 0 0 0999 V2000 3.3159 -1.9823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -0.6194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 0.9901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.0514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.3146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 -1.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 -1.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 -0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5007 -2.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 -0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 1.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3798 2.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1719 1.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2778 2.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1799 2.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2935 -2.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8868 -1.6572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -2.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6285 -3.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1073 -2.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6949 -0.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 -0.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4816 -0.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -0.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -0.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -1.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 -2.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8393 2.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 0.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 0.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7052 0.8760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2754 3.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7180 2.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 34 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 9 2 0 0 0 0 3 10 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 4 35 1 0 0 0 0 5 15 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 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 17 2 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 22 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 21 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 22 43 1 0 0 0 0 22 44 1 0 0 0 0 M END $$$$