MMs01316067 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 64 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 1.3031 0.7429 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2639 1.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0163 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3573 2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 3.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5978 4.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1323 4.4926 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5899 -1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2868 -2.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3113 -2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3194 -3.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2786 -3.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6225 -4.4858 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9093 2.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1879 -1.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4828 -2.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7859 -1.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4992 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0972 0.7005 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3543 2.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8401 -0.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4003 1.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4085 2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7116 3.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0065 2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9984 1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6953 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0809 -2.2995 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0425 -0.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5943 -1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4919 2.0281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7278 3.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6132 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 3.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 5.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 -1.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9942 -2.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3472 -1.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -5.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 -4.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1454 -2.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 -3.4853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5057 1.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2256 2.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0042 4.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9453 4.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4879 4.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1812 1.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4026 0.2994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9189 -0.2287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4616 -0.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 19 20 2 0 0 0 0 19 21 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 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 M END