MMs02513814 MOE2007 2D CORINA 3.40 0006 02.08.2006 66 68 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 1.3038 0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 2.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6171 2.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6266 4.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9304 5.2251 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9304 4.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0967 6.7159 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4072 7.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5658 7.0184 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7658 7.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3076 5.7147 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6181 4.5555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 4.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7983 5.5484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5400 4.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0092 4.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0058 3.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4750 3.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5332 2.0025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3305 1.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0675 2.8210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5915 0.2763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 6.0379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8091 6.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5065 8.1259 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.1846 8.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3107 9.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8179 9.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 10.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4222 11.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0555 12.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9883 7.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5588 7.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 5.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4505 8.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 7.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7717 9.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5934 1.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -0.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5934 -1.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3038 -0.4583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9914 -1.0519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6334 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2046 1.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4435 4.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2234 5.6136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4161 0.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3888 -0.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5295 12.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5401 9.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6164 11.2355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3044 12.3119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0308 12.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3564 13.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0802 11.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 9.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 8.9721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1226 7.4649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6154 6.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9439 9.4912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0286 10.9203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 10.0051 0.0000 H 0 0 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 1 0 0 0 0 2 4 1 0 0 0 0 2 45 1 0 0 0 0 3 46 1 0 0 0 0 3 47 1 0 0 0 0 3 48 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 49 1 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 25 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 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 60 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 40 63 1 0 0 0 0 41 64 1 0 0 0 0 41 65 1 0 0 0 0 41 66 1 0 0 0 0 M END