MMs02449323 MOE2007 2D CORINA 3.40 0006 02.08.2006 96 99 0 0 1 0 0 0 0 0999 V2000 1.2779 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2897 1.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8059 3.2068 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6544 2.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 3.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1918 4.3494 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5024 3.1903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 5.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3345 4.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 5.9608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5367 7.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 8.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2151 8.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3201 6.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7926 6.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7685 7.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2059 9.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7485 9.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2026 7.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7212 6.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5697 7.0027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2185 5.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1460 4.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6241 3.7309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8698 5.0213 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0213 5.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9396 4.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7171 2.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5067 3.9546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8493 2.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5794 1.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1644 1.5141 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2036 0.9141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0645 -0.0149 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7539 -1.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6809 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2626 -0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1567 -2.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4946 2.1652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7863 1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6717 4.8004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0281 6.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1322 8.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6511 7.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0326 4.5337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9235 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4347 -0.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1305 -1.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0446 0.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2176 3.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8119 2.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2305 0.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3767 1.4019 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.4159 0.8019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 1 55 1 0 0 0 0 2 3 1 0 0 0 0 2 56 1 0 0 0 0 2 57 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 58 1 0 0 0 0 5 59 1 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 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