MMs02457869 MOE2007 2D CORINA 3.40 0006 02.08.2006 60 62 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 1.5000 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -1.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 1.2852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5159 2.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 2.5980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6160 3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 1.3128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 2.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 3.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 5.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 6.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 5.2237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0616 6.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2259 3.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4839 2.6257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7259 3.9385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 3.9017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7579 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7579 1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0159 2.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5159 2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2578 1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0158 2.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 -0.0646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8998 -1.1038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2578 1.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7577 1.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5157 2.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7737 3.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2418 -1.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7418 -1.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0074 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 0.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6461 2.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 3.7718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3831 0.8863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8498 0.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8483 0.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3195 4.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3323 2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1196 4.9372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 -1.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5935 -1.0798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6222 3.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 3.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3935 -1.0909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1327 1.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4734 2.4103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5421 0.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8828 0.8033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0157 2.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4838 -2.6626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 -3.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6221 3.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 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 20 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 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 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 35 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 35 36 2 0 0 0 0 35 58 1 0 0 0 0 57 60 1 0 0 0 0 58 59 1 0 0 0 0 M END