MMs00467862 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 64 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 -0.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5588 0.6167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5884 1.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9018 -0.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8626 -1.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1864 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4999 -0.7083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0979 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0979 0.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6959 -0.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7055 -2.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7055 -3.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4113 -2.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1075 -2.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0094 -2.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0190 -4.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3036 -2.1582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6074 -2.8999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6074 -1.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6170 -4.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9208 -5.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2150 -4.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9305 -6.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9016 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8920 -0.6416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5933 1.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0431 0.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 -1.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5384 -1.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0811 -1.6559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7884 1.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5807 2.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3884 1.5089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5076 -1.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0168 0.9643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5595 0.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6149 0.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1575 0.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0991 0.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8790 -0.8757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1886 -3.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6459 -3.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -1.9908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7043 -3.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2959 -0.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4339 -4.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2138 -5.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9601 -5.7415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8217 -5.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2504 -3.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6084 -3.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7305 -6.6492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9382 -7.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1305 -6.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 -2.8316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2054 -2.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 -2.2249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9545 -2.8183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2408 -2.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 62 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 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 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 50 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 60 62 1 0 0 0 0 61 64 1 0 0 0 0 62 63 1 0 0 0 0 M END