MMs02449324 MOE2007 2D CORINA 3.40 0006 02.08.2006 95 98 0 0 1 0 0 0 0 0999 V2000 1.3482 0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 1.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 3.0549 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8390 2.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7272 3.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4107 4.3258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1893 3.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2184 5.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9504 4.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6713 5.6349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5213 6.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8735 8.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 8.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6481 6.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8392 6.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6485 8.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8898 9.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1071 8.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8221 6.7458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4221 7.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3827 6.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5074 4.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0645 4.3327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1371 5.5052 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0979 6.1052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3427 4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2958 3.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9466 4.1184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4941 2.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3641 1.8112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8985 2.3518 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.9377 1.7518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0111 0.8235 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0111 -0.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7253 0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3149 0.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4188 -1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1256 3.1806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4985 2.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 -8.9148 6.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0204 7.8817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8731 9.8033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5043 9.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2595 6.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4034 4.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6704 4.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3301 4.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9758 2.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3471 1.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2062 0.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9498 1.4016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0760 2.9633 0.0000 N 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 61 1 0 0 0 0 11 12 2 0 0 0 0 11 62 1 0 0 0 0 12 13 1 0 0 0 0 12 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