MMs00028590 MOE2007 2D CORINA 3.40 0006 02.08.2006 77 80 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 1.2983 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4945 -0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4930 -2.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0925 -0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4634 -0.1499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4661 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7148 -2.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2479 -2.2506 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4636 -3.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9636 -3.8651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5393 -4.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7148 -2.5668 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9661 -1.2670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3661 -0.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7173 0.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9686 1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4686 1.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7198 2.6294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9710 3.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7223 5.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2223 5.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9735 6.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2248 7.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7248 7.8255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9735 6.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2148 -2.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9636 -3.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2123 -5.1663 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.4123 -5.1663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7123 -5.1648 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4126 -5.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7109 -6.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4112 -7.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9611 -6.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4661 -1.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 1.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0387 0.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -1.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5261 -1.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0688 -1.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8276 0.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3703 0.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1242 -1.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6669 -1.6737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4257 0.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9684 0.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7954 1.1925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3356 -4.2730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5672 -4.4546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6358 -0.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6373 0.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9198 2.6282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0511 3.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0525 4.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8213 4.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1735 6.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8258 8.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7735 6.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0076 -1.3862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3429 -2.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8836 -3.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8821 -4.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1131 -5.3937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3728 -6.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0116 -6.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8929 -6.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1203 -7.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4100 -8.6136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1611 -6.4672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5047 -1.8694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0671 -0.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4274 -0.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 44 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 46 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 48 1 0 0 0 0 4 49 1 0 0 0 0 5 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