MMs03165779 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 41 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 1.2972 0.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0064 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5588 -0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6018 -1.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8952 0.7597 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8952 -0.4403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8915 2.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 3.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4933 0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4896 2.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0914 0.7725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0258 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1390 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6455 -1.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6932 -0.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6969 -2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9978 -2.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2950 -2.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2912 -0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5958 -2.9613 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6026 1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 -0.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6026 -1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5236 1.6706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 1.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4018 -1.4965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 -2.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8018 -1.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1991 -1.1871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0251 -0.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5678 -0.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0884 1.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6591 -2.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0008 -4.1678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3290 -0.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9874 1.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5906 3.0064 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 10 11 1 0 0 0 0 10 33 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 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 41 -1 M END