MMs01704842 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 38 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 -0.7593 1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0186 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4814 2.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7406 1.3258 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7299 2.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7513 -0.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2406 1.3365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.0429 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5998 1.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2591 -1.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0184 -2.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5184 -2.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2591 -1.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7590 -1.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7405 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2405 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9997 0.0857 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7778 3.8917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2778 3.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0371 5.1960 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5926 -1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9592 1.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 3.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1074 -1.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8331 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3344 -0.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3454 -2.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9628 -1.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3664 -2.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3330 2.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6331 2.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2777 -3.8595 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 37 -1 M END