MMs01284686 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 54 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 1.3035 -0.7422 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3035 0.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5891 1.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9015 -0.7267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4996 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9420 1.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8213 2.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4073 1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0092 3.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 3.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3889 2.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8797 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4816 3.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5927 4.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1019 4.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2130 5.9818 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.9725 3.8967 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.1650 0.5654 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1680 -0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4887 -2.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -2.2422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0179 -2.9999 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7757 -4.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7398 -1.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2766 -3.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 -5.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5622 -6.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8657 -5.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8746 -3.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5801 -3.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5938 1.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0428 0.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5938 -1.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9087 -1.9267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4192 0.9457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9619 0.9549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7337 -1.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2981 4.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9074 1.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5909 1.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0743 6.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3553 -2.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2248 -5.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -7.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9013 -5.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9174 -3.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5873 -1.8155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 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 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 M END