MMs00956351 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 56 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 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 3.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 -1.3199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2459 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9919 -2.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4919 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2379 -3.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7379 -3.9365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4839 -5.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7299 -6.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9839 -5.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7298 -6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2298 -6.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9838 -5.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2379 -3.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7379 -3.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9919 -2.6444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5951 -1.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4919 -2.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7459 -1.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9758 -7.8498 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -1.1858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6263 -0.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 3.3676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5864 1.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2994 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8652 4.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2247 4.4933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8829 1.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5493 2.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3711 -0.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7047 -1.1963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7952 1.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1289 0.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1427 -2.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8630 -3.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1966 -3.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2872 -1.4481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6208 -2.2236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1090 -4.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4426 -5.1143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1266 -7.5812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1838 -5.2555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8411 -2.9131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 1.2921 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0540 1.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 54 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 25 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 22 2 0 0 0 0 18 19 2 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 2 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END