B5XLR9 -OEChem-04022106262D 42 45 0 0 0 0 0 0 0999 V2000 5.5138 2.5173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -2.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7388 -1.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 -0.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1841 -0.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7856 -1.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 -2.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7388 -1.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7856 -1.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1841 -2.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8636 -2.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 -2.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 -0.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 -1.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 1.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 0.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -1.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.2402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -2.6648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -1.8602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 14 2 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 34 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 35 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$