MMs02125097 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 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 1.4167 0.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2706 -1.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4059 -2.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8226 -2.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1039 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9579 -3.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5099 -3.9156 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3584 -4.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9265 -3.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2079 -1.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0726 -0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6245 -1.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9059 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3225 0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4578 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1765 -1.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7598 -2.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8745 0.0229 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.2285 -5.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3638 -6.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3944 1.1333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -0.3944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 -1.1333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1373 -2.3551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1809 -4.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2373 -0.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1937 1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0278 -4.1866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -4.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1182 -4.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1264 -3.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9976 0.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5476 1.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0847 -2.7278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5348 -3.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3746 -2.9353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5996 -1.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8119 -5.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5868 -7.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 10 39 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 M END