MMs01948932 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 61 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 1.2978 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2953 2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 3.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8933 2.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 0.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6006 -1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1987 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 -2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5015 -3.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7967 -1.4869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0131 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7942 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4939 0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4914 2.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0920 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0895 2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3872 3.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6875 2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6901 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9853 3.0218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9828 4.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2856 2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0970 -2.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3948 -1.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6951 -2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6976 -3.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3999 -4.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0996 -3.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6017 1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0382 -0.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6017 -1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 2.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 4.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9315 2.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4006 -1.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6026 -2.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 -1.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6076 -1.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7901 -2.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0492 2.8635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3852 4.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7303 0.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3933 -0.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1828 4.5238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9808 5.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7828 4.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6874 1.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3259 1.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8839 3.3143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3938 -0.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 -1.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7379 -4.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4019 -5.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0613 -4.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 M END