MMs03919201 MOE2007 2D CORINA 3.40 0006 02.08.2006 94 97 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 -0.0036 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3044 -2.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -3.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6088 -4.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -3.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2937 -2.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5945 -1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -2.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8881 -3.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5873 -4.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -4.5124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4862 -3.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4898 -2.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7834 -4.5186 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7834 -3.3186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7799 -6.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 -6.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4754 -8.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1746 -9.0124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 -10.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 -11.2593 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8324 -10.6568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8673 -12.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0843 -3.7717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3815 -4.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3779 -6.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6823 -3.7780 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6823 -4.9780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6859 -2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3887 -1.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9868 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9796 -4.5311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2804 -3.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2840 -2.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5776 -4.5373 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5384 -5.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5741 -6.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8713 -6.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1721 -6.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4694 -6.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4658 -8.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1649 -9.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8677 -8.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8785 -3.7904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8821 -2.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5848 -1.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1829 -1.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1865 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4873 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7846 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7810 -1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4801 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0029 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3422 -1.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5974 -0.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9324 -1.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5844 -5.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1825 -5.7124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9621 -5.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1876 -7.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0713 -5.6369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -6.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6577 -8.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8832 -9.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1368 -8.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0871 -2.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6859 -1.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9912 -0.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3509 -0.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7862 -2.5627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5843 -2.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0274 -0.9336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3892 -0.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9767 -5.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3928 -5.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1609 -7.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1750 -4.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5100 -6.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5036 -8.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1621 -10.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8270 -8.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9163 -4.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1487 0.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4902 1.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8252 0.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8188 -2.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4773 -3.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4683 -11.2655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4654 -12.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5089 -10.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 55 1 0 0 0 0 1 56 1 0 0 0 0 1 57 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 58 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 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 59 1 0 0 0 0 10 11 2 0 0 0 0 10 60 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 61 1 0 0 0 0 13 14 1 0 0 0 0 13 62 1 0 0 0 0 14 15 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