MMs02458652 MOE2007 2D CORINA 3.40 0006 02.08.2006 77 79 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 1.3000 0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8981 0.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 2.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4962 0.7415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7923 -1.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0942 0.7381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0942 -0.4619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0962 2.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7981 2.9898 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6923 0.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6943 2.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 -0.0169 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9511 -0.6169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2904 0.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2923 2.2314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.5924 2.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5943 4.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 5.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2982 6.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5982 7.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8963 6.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8943 5.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8904 2.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1904 2.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4885 2.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4865 0.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1865 -0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8885 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9884 -1.5169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2865 -2.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5865 -1.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2845 -3.7686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5826 -4.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5806 -6.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8787 -6.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8767 -8.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5767 -9.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2787 -8.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2806 -6.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 1.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -0.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5986 -1.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5299 1.6686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0726 1.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4236 -0.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9663 -0.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4977 1.9415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2777 2.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5081 3.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7997 4.1898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3907 -1.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6993 -0.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4724 0.9382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5531 3.5797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2562 4.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2598 7.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5998 8.6797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9363 7.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9328 4.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1920 4.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5285 2.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5250 0.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1850 -1.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8484 0.1293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9484 -2.1156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9945 -3.3932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7641 -4.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9187 -6.1734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9152 -8.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5751 -10.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2386 -8.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2422 -6.1673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 48 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 50 1 0 0 0 0 6 51 1 0 0 0 0 7 8 1 0 0 0 0 7 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