MMs00946077 MOE2007 2D CORINA 3.40 0006 02.08.2006 77 81 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 1.3026 -0.7437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5588 0.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9007 -0.7312 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9399 -1.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9079 -2.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2105 -2.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2178 -4.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9224 -5.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6197 -4.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -2.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3099 -2.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0145 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 -6.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6342 -7.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5204 -5.2186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5276 -6.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1889 1.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4987 -0.7187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0968 -0.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7020 -2.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0047 -2.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3001 -2.1811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2929 -0.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6027 -2.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6100 -4.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9126 -5.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2080 -4.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2008 -2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8981 -2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4962 -2.1561 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5908 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8862 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 3.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5764 4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 3.7562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2882 2.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2469 -2.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -5.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -6.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5978 -8.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2392 -8.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3276 -6.7244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5334 -7.9186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7276 -6.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5045 -1.9187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0184 0.9531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5610 0.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3299 -1.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8725 -1.6217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6164 0.9656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1591 0.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2971 -3.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5193 -1.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2378 -3.8603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7804 -3.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4756 -0.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6979 0.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7571 0.9855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2145 0.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5736 -5.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9184 -6.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2501 -5.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8924 -0.9686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4073 1.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 4.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5706 5.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2519 1.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6948 -0.6937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 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 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