B94ENV -OEChem-04012112282D 41 44 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 3.7359 -1.5414 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 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 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 16 1 0 0 0 0 2 15 2 0 0 0 0 3 6 1 0 0 0 0 3 15 1 0 0 0 0 3 34 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 36 1 0 0 0 0 5 19 1 0 0 0 0 5 22 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 35 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$