MMs01059359 MOE2007 2D CORINA 3.40 0006 02.08.2006 46 48 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 1.3030 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 2.2431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 3.1183 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3777 3.9668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0733 4.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5733 4.5553 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1022 3.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0072 4.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4362 3.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 1.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2175 1.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1849 1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9533 2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2573 1.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0733 3.6449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 3.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6175 4.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0416 3.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3456 2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2256 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8015 1.7049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7697 1.7605 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 1.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0424 -0.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5945 -1.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 4.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 5.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0577 4.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5649 5.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5969 4.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6352 3.7331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0888 0.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5961 0.4760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9815 1.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0568 0.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5497 2.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3281 1.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8202 0.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 4.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3742 5.3466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9376 4.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 0.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7559 2.2193 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6044 3.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 45 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END