BD1SM4 -OEChem-04012112372D 44 45 0 1 0 0 0 0 0999 V2000 2.9397 -0.5173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0737 -0.0173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8247 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8057 2.7147 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4397 1.3487 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6477 2.7884 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3057 0.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2698 -0.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5378 -0.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8057 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5378 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4038 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4038 -1.5173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6717 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4038 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3057 1.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5378 2.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4038 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2698 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2977 0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5378 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2977 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2038 1.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2698 -3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2038 2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4038 -2.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 2.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 -0.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5378 3.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8804 -2.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4819 -1.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2906 0.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2278 -1.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 -2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8478 -2.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9957 -0.4203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2906 3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7395 1.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 -3.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2698 -3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8898 -3.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7395 2.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 5 18 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 38 1 0 0 0 0 8 20 2 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 22 2 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 23 1 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 24 2 0 0 0 0 19 31 1 0 0 0 0 21 26 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 25 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 27 1 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$