MMs02798698 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 57 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 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 1.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7477 1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7522 -1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0045 -2.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7567 -3.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5045 -2.5903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9063 -3.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7522 -1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 -1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2522 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2477 1.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9955 2.6137 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7955 2.6137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4870 2.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7963 4.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4960 4.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3830 3.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2477 1.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2522 -1.2795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7522 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5045 -2.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0045 -2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7522 -1.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2522 -1.2691 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6459 2.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3459 2.3458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5982 1.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6541 -2.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0459 -2.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3806 -1.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3298 0.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 2.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4891 1.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6806 2.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9382 3.8720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2825 5.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1996 5.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6028 5.7900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6540 -2.3198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9063 -3.6149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6063 -3.6103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5982 1.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8982 1.0616 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 13 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 1 0 0 0 0 5 12 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 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 17 19 1 0 0 0 0 17 22 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 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 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END