MMs00540481 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 -1.5000 -0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -1.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 -2.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -1.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 1.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 1.3234 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8439 0.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4879 2.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2319 3.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7319 3.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7439 1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4879 2.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9879 2.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7439 1.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0088 -1.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3762 -0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2125 1.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7439 -1.3164 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4879 -2.6189 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5952 1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1048 1.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 -3.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 -3.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0531 -2.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3855 -1.6938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1048 -1.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 1.8433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5651 3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1855 3.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5830 3.6818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9047 -1.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7523 -1.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5488 -0.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4759 5.2169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0711 6.2589 0.0000 H 0 0 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 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 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 42 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 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END