MMs02087803 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 56 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 1.5000 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5045 -2.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2567 -3.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7522 -1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 1.3107 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3478 2.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2477 1.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2522 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2477 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4955 2.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2433 3.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7433 3.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4955 2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7477 1.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.0233 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.0000 0.0258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7522 -1.2771 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.4910 5.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9910 5.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7388 6.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9955 2.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7433 3.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2896 1.1840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6269 0.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5866 -3.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5839 -1.8257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2185 -4.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8585 -4.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2949 -3.2914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8806 -1.7011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5459 -2.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3717 0.4162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7063 1.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0373 2.4947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3747 1.7256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1018 -1.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2955 2.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6415 4.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6955 2.6234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7847 4.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1194 4.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7790 5.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3370 7.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6985 7.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 -1.2952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6018 -1.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4955 2.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8937 3.6440 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 30 1 0 0 0 0 2 31 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 52 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 52 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 6 53 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 53 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 55 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END