MMs01847578 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.3024 -0.7442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5914 1.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4985 -0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5051 -2.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2094 -2.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9071 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8075 -2.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1032 -2.2096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0965 -0.7096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3855 1.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6946 -0.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2926 -0.6865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4560 -2.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9246 -2.4829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6688 -1.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6602 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1174 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5832 1.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5918 0.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1347 -0.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5954 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 0.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1908 1.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 -0.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2148 -4.1769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 -2.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8128 -4.1653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0546 -0.1142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9273 -1.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4700 -1.6138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2148 0.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7575 0.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5678 -2.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3105 2.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9489 2.8196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7645 0.8212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9416 -1.7503 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 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 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 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 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END