MMs03136589 MOE2007 2D CORINA 3.40 0006 02.08.2006 83 83 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 1.3044 -0.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3151 -2.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5873 1.5185 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5873 2.7185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 2.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 3.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3151 2.2407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3151 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6087 1.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9131 2.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2067 1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 -0.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5111 2.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8047 1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1091 2.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1198 3.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4242 4.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7178 3.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7071 2.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4028 1.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3258 3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0321 4.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6302 4.4813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8809 2.2778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1853 1.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 2.2963 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4790 1.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4682 3.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1639 4.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 4.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7833 1.5556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0770 2.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0662 3.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3813 1.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6750 2.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 3.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4342 1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9686 3.0927 0.0000 C 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 -0.5926 -1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2651 -1.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1151 -2.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3237 -3.4406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -2.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0165 -1.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7783 0.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8308 0.5677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 0.5567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1483 3.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 3.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0269 0.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5695 0.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0849 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4328 5.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7613 4.2589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 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12.6649 3.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 46 1 0 0 0 0 3 47 1 0 0 0 0 3 48 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 50 1 0 0 0 0 4 51 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 52 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 55 1 0 0 0 0 13 56 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 17 18 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 60 1 0 0 0 0 21 22 2 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 28 1 0 0 0 0 27 66 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 33 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