BU4MS2 -OEChem-04022118303D 52 56 0 0 0 0 0 0 0999 V2000 6.8376 -4.0917 1.0828 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0472 -2.6449 0.0006 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8386 -4.0894 -1.0859 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6351 1.2101 -0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4909 -3.1275 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5802 1.2571 0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4347 5.6453 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7118 1.8154 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2068 0.0680 0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3531 2.6574 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7674 5.0186 -0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5023 0.3012 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3021 -1.1156 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4901 2.2805 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 3.5519 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4246 3.7303 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8004 1.4748 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5178 4.8008 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4883 0.4604 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -0.4744 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -1.8456 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8939 -0.0111 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 7.0882 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6964 -2.2898 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3807 -2.7532 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 -0.9187 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9016 0.2243 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8289 -3.2601 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 -1.6264 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8345 -3.0049 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 -0.7525 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1349 -3.5094 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0085 -1.2567 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2220 -2.6352 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5556 -2.1775 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5362 5.1648 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -0.5764 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.2436 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1267 1.0509 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 7.4497 -0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0221 7.4486 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5265 7.4177 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1714 -3.8197 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9704 -0.5376 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5637 -1.8147 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9963 -3.6970 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6220 0.3250 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 -4.5841 0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8075 -0.5229 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5512 -1.5658 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5498 -1.5687 -0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4932 -2.7430 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 27 2 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 8 14 2 0 0 0 0 8 19 1 0 0 0 0 9 19 2 0 0 0 0 10 16 1 0 0 0 0 10 17 2 0 0 0 0 11 16 2 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 12 37 1 0 0 0 0 13 27 1 0 0 0 0 13 29 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 25 1 0 0 0 0 21 38 1 0 0 0 0 22 26 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 46 1 0 0 0 0 31 33 2 0 0 0 0 31 47 1 0 0 0 0 32 34 2 0 0 0 0 32 48 1 0 0 0 0 33 34 1 0 0 0 0 33 49 1 0 0 0 0 35 50 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 M END $$$$