MMs01949274 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 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 -0.7517 -1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0034 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4966 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2483 -1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7151 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 -3.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4989 -3.7160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -4.8895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2571 -1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3731 -0.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7991 -0.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1091 -2.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9151 0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6052 1.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7212 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1472 2.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4572 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3411 -0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8831 0.5317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1311 -0.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9992 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4251 1.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6892 3.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8052 4.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2632 3.4670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0152 4.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 1.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9517 -1.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 -3.6365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1014 1.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9084 -3.7091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8865 0.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3959 0.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6924 -2.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2018 -1.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1252 1.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4644 2.3002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4732 4.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5891 -1.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 42 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 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 M END