MMs00648844 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 59 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 1.3008 -0.7469 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 1.3043 -2.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3114 -5.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6086 -4.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6051 -2.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9024 -2.2408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2032 -2.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2067 -4.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 -2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8012 -2.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0985 -2.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3993 -2.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6966 -2.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6931 -0.7226 0.0000 C 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 9.0950 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9868 1.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2911 -0.7165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 0.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5849 1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8822 2.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1830 1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1865 0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8892 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4873 -0.7043 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19.4802 2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4767 3.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5976 1.0406 0.0000 H 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 -0.5976 -1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3008 0.4531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2005 -1.0317 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 1.9956 1.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 -2.4024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0273 -5.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 -6.4469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 -5.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8996 -1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7270 -1.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2696 -1.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4021 -4.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7372 -2.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3895 1.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0544 -0.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2940 -1.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5443 2.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8794 3.4896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8920 -1.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6767 3.7985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4739 4.9957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2767 3.7929 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 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 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 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 54 1 0 0 0 0 31 32 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 M END