MMs00125584 MOE2007 2D CORINA 3.40 0006 02.08.2006 27 29 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 0.7512 -1.2983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2512 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0025 -2.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 -3.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 -5.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7537 -3.8964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1547 -4.9362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4975 -2.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4694 -2.2819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6248 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2539 -0.1812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9945 -0.1786 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2089 -1.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0535 -2.5510 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2126 -2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6838 -3.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2679 -3.4315 0.0000 O 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 -1.0387 -0.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7339 0.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3627 -1.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 -3.9969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3558 -4.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1436 -4.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 M END