MMs02392487 MOE2007 2D CORINA 3.40 0006 02.08.2006 77 80 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 1.4917 0.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7084 1.1460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5997 1.9495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6301 2.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1382 2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 4.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 3.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2355 2.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5341 1.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8648 1.8677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1948 4.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 5.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8855 6.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1654 -1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8347 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8378 0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0871 1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 1.1477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6964 2.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1881 2.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9374 4.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4048 3.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5624 2.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8619 1.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1924 1.8745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5189 4.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9458 4.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3265 5.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3297 0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1474 -2.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5743 -2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8870 -4.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7728 -5.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7586 -2.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4476 -4.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5629 -5.3587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1261 1.1934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1934 -0.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1261 -1.1934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 3.7983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6147 0.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3924 5.8642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0871 5.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9973 4.0798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1902 5.7784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3981 7.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0789 6.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1661 -2.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9905 3.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9436 0.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2688 6.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1959 3.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8371 5.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4225 6.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8378 6.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2305 5.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2049 -1.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5232 -0.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4544 1.1993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9482 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9811 -3.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7406 -1.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7735 -2.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3843 -2.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 -3.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -1.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4406 -2.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3138 -4.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9787 -4.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2276 -5.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5639 -5.9867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 46 1 0 0 0 0 9 10 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