MMs01949941 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 46 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 0.0035 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3043 2.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 1.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 -0.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9024 2.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 2.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7977 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4934 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0915 -0.7714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3958 1.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6895 -0.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 -0.0305 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2876 -0.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4409 -2.2757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9116 0.9965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9074 -2.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6604 -1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6594 -0.1767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1604 -1.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9074 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1543 -3.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6543 -3.8918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4074 -2.6016 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0406 -0.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 2.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 3.4469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6359 -0.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2945 -1.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5033 3.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8384 2.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4906 -1.9653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1555 -0.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0887 -1.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9160 -1.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4587 -1.6985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7629 -0.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7519 -4.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 28 2 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 M END