MMs00679798 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 1.5000 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2415 -1.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7415 -1.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7414 -1.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 -2.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -2.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7246 -3.9214 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2414 -1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9829 -2.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 -0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2413 -1.3721 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2582 1.2259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7582 1.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4997 -0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9997 -0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7581 1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0166 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5166 2.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2581 1.1869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0165 2.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2750 3.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5165 2.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 1.1734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6302 0.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9067 1.0139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6066 0.9963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 -3.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 0.9846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6650 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8930 -1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5929 -1.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6233 3.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9234 3.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8513 0.1438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5087 1.2713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7164 2.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5243 3.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END