MMs01068742 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 44 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 -1.2935 -0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2826 -2.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5761 -3.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8806 -2.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8915 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3215 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9416 1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4345 1.1863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3072 -0.0336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6871 -1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5599 -2.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1943 -1.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3037 -2.7524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6662 -3.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8001 0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4202 1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5474 2.6981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9131 1.6240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.5332 2.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6604 4.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2805 5.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7734 5.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6462 4.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0261 3.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8989 1.9158 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6076 -1.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 0.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6076 1.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -2.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 -4.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 1.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2433 2.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7077 -1.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9623 -0.1865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6113 0.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4661 4.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5823 6.5515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2695 6.8141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8405 4.6183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 37 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 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 M END