MMs01355164 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 0.7477 -1.3004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 -1.3030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 -2.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2504 0.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7477 -1.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4954 -2.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9954 -2.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7477 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2477 -1.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9954 -2.6141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4954 -2.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2430 -3.9171 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8430 -2.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7430 -3.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4907 -5.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9907 -5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7430 -3.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9953 -2.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4954 -2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7477 -1.3217 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.4907 -5.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9987 -5.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6842 -6.8356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5871 -7.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9819 -7.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0984 -6.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5242 -7.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8334 -8.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7169 -9.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2911 -9.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0403 0.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5981 1.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 -0.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0428 -1.9962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 -3.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0335 -3.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 -3.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5935 -3.6491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6018 1.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9018 1.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3935 -3.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2891 -1.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6237 -2.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8889 -6.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5889 -6.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9430 -3.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5972 -1.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1973 -4.4758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4174 -6.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9740 -8.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9643 -10.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3979 -9.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 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 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 33 34 2 0 0 0 0 33 55 1 0 0 0 0 34 35 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 M END