MMs01362599 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 40 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 0.7521 -1.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 -0.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -2.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5457 -2.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 -1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8484 0.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1438 -2.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 -1.3062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7419 -2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8962 -3.5504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3629 -3.8646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1151 -2.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1132 -1.4505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4274 0.0162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6071 -2.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2194 -1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7115 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5912 -2.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9788 -3.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4868 -3.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8745 -4.9967 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -12.3238 0.4806 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 0.3008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6017 1.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 -0.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 -1.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0882 0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7491 -0.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -3.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1059 -3.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0233 -2.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -2.9721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9136 -2.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5369 0.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5693 0.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5156 -0.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7848 -1.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6826 -4.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 35 1 0 0 0 0 15 36 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 37 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 M END