B9K4ED -OEChem-04022110412D 43 45 0 0 0 0 0 0 0999 V2000 4.4487 -2.7953 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.2953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -4.2898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -2.8886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -4.4977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 4.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 3.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 4.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 4.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -3.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 2.0147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 1.7873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 1.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 1.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3928 1.7873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 0.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 -0.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3928 -0.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 0.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1027 3.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 2.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 -1.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -1.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 -1.2127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 -1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.0847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 4.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 2.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 5.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 4.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -4.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -3.5669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 42 1 0 0 0 0 4 20 2 0 0 0 0 4 21 1 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 16 18 2 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 21 43 1 0 0 0 0 M END $$$$