MMs01272229 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 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 -0.0016 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0408 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3014 -2.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3029 -3.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2951 -3.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2967 -2.2514 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2967 -1.0514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5965 -1.5027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 -2.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8932 -3.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1946 -1.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7927 -1.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4928 -2.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0940 0.7405 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3454 2.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8427 -0.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3939 1.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3954 2.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6952 3.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9935 2.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9919 1.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6921 0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2902 0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 -0.0163 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.0415 2.0334 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.5388 -0.5632 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.2933 3.7351 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7106 -1.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4834 -2.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4845 -3.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 -4.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -5.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 -5.4201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7044 -4.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4771 -3.5442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 -0.3027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1946 -2.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0142 -0.2126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7869 1.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7256 1.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2683 1.6617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9746 -1.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2019 -2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7205 -3.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 -3.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3568 3.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6965 4.9378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6909 -0.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 32 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 M END