MMs01792089 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 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 -0.7457 -1.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0085 -2.5981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6085 -1.5588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5085 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7372 -3.8996 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3372 -2.8603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2372 -3.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -5.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9915 -2.6079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4915 -2.6128 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8915 -1.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2372 -3.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7372 -3.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4829 -5.2207 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.9829 -5.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2457 -1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -5.1961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -5.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 -3.8897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2713 -6.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7713 -6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5255 -7.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7798 -9.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2798 -9.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5255 -7.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0255 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -8.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7287 -6.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 -6.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 -0.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5966 1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 0.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6675 -0.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -2.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5124 -3.7931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 -2.5892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 -1.3932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -1.5667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1082 -4.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4417 -5.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5327 -2.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8662 -3.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9869 -4.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1829 -5.2296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9790 -6.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3679 -5.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7255 -7.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3832 -10.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 -10.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7457 -1.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3491 -0.2839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 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 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 52 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 52 53 1 0 0 0 0 M END