MMs00682786 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 38 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 1.5000 0.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 1.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 1.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4854 2.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 3.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2282 3.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4855 2.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 5.2044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9854 2.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7282 3.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7427 1.3366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2426 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9854 2.6482 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2571 -1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7570 -1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4998 0.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7426 1.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2426 1.3617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9998 0.0836 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3485 0.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3224 4.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2855 2.5997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0357 6.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2289 5.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 3.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1485 0.2941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4057 -0.9924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6629 -2.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3628 -2.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3368 2.4127 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 11 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 M END