MMs01012182 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 47 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 1.2628 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -0.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6107 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8012 -2.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -2.3070 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7519 -3.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 -3.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0619 -1.8038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3151 -0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6556 -1.6526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7428 -3.1501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4896 -3.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5769 -5.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0833 -3.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3365 -2.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2492 -1.5015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6770 -3.6721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9302 -2.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2706 -3.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5238 -2.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8643 -3.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1175 -2.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0303 -1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6898 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4366 -1.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2835 -0.2238 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6477 1.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 0.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 -1.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9638 0.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4481 -5.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2453 0.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -4.7858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9068 -4.6961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7468 -4.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1067 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6467 -1.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5541 -4.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0942 -4.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9341 -4.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1899 -3.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6200 0.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3642 -0.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 31 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 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 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 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END