MMs01269481 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 52 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 0.7407 -1.3044 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3407 -0.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9814 -2.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2591 1.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7591 1.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 -0.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7406 -1.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2406 -1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0641 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9891 -1.5641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0105 1.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 -0.0748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 -2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5185 -2.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 -1.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2777 -3.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7777 -3.8703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5369 -5.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 -6.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0369 -5.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9272 -6.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3504 -5.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6548 -6.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9484 -5.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9378 -4.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6334 -3.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3397 -4.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9099 -3.9335 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4738 -7.7903 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 0.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5926 1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 -0.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4073 1.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 2.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3665 2.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3331 -2.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6332 -2.3714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0923 -1.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1071 0.9601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -4.2994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4945 -5.0612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3703 -2.8268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6633 -7.8275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9919 -6.4608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9727 -3.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6248 -2.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 M END