MMs00028083 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 52 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 1.5000 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5057 2.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7529 1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5057 2.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4000 -1.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7528 1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2528 1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2471 -1.3172 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6471 -2.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7471 -1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7913 -2.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7678 -3.8116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2233 -3.1617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4644 -2.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7017 -3.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0547 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1705 -1.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9332 -0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5802 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4836 0.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9291 1.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5235 -0.3753 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0026 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -1.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6267 -0.4162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 2.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6343 3.0027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 3.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 3.7981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1943 2.6007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 1.9981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8977 -1.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6261 1.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9638 2.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0471 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3814 1.6888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6186 -1.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9529 -2.4961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3995 -4.3487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6091 -4.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0445 -3.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0258 1.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 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 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M END