MMs03929367 MOE2007 2D CORINA 3.40 0006 02.08.2006 80 84 0 0 0 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 1.2972 0.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2934 2.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5906 3.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8915 2.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8952 0.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1999 -1.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4933 0.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 2.5239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8775 3.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9105 5.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3541 4.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8636 5.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3211 3.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7977 3.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3072 4.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7648 2.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4055 0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6796 -0.0783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8262 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2608 2.2781 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2826 0.5295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8479 -0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3440 -0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7033 0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4292 1.4966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0926 1.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2770 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6663 0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8714 2.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6870 3.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2977 2.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0563 -2.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5570 -2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7653 -3.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4729 -4.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9721 -4.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7638 -3.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0161 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 4.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0353 5.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 4.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6026 1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 -0.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6026 -1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2527 2.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6011 -1.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2354 -0.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9999 -1.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2029 -2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3999 -1.4840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0959 -0.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5310 1.3688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 1.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7549 2.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2834 2.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7344 1.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1177 -1.6688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1129 -0.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6138 0.1787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9829 2.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8511 4.5103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3502 3.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9910 -1.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5660 -3.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8395 -5.7013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5381 -5.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9631 -3.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5638 1.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9046 -0.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4685 -0.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7634 5.5738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 4.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8044 6.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 6.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 5.8538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5861 4.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3907 3.4892 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 7 2 0 0 0 0 3 4 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