MMs03130954 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 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 0.7442 -1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 -1.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7325 -3.9004 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4675 -3.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2325 -3.9072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4325 -3.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9767 -5.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 -6.5052 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7209 -6.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0233 -5.1961 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6233 -6.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5233 -5.1894 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7233 -5.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2791 -6.4850 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8791 -7.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7791 -6.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5349 -7.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7349 -7.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5349 -7.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1396 -8.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2675 -3.8870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4674 -3.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2141 -8.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9117 -8.7494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5165 -7.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8189 -6.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 -5.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4510 -4.7205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9440 -3.6265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1952 -6.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1865 -7.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6436 -8.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1094 -8.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1181 -7.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 -6.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5665 -10.3089 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.6349 -9.6720 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9883 -2.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1883 -2.6169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 0.5953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5953 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -0.5953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2116 -2.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -4.8259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 -5.9850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5654 -5.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9049 -6.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5383 -4.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2907 -8.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4679 -5.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5098 -8.7610 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 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 45 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 51 1 0 0 0 0 37 52 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 53 -1 M END