MMs01467878 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -1.3036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0159 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -1.3128 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2328 -2.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2512 0.1872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 -1.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7419 -1.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9840 -2.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 -2.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2419 -1.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9839 -2.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 -0.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2578 1.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5157 2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7577 1.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5157 2.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0157 2.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7736 3.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0316 5.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5316 5.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7737 3.8189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7895 6.3985 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 -0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0515 -1.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6223 -3.6336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 -3.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9063 1.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6062 0.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5776 -3.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 -3.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2842 -1.2449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6249 -0.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3513 0.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6093 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9736 3.7931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9380 6.1562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 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 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 M END