MMs00210581 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 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 -1.2953 -0.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6055 1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3102 2.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0075 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2878 2.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2804 3.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5906 1.5129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8859 2.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1886 1.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4988 -0.7177 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2424 0.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7553 -2.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 -1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0969 -0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3996 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4071 -2.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1118 -3.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8090 -2.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7098 -3.6919 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8933 -0.7694 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.8859 -2.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 -0.0258 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0422 -0.5948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2893 -1.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6477 2.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3162 3.4435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 3.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 3.1924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5935 2.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3714 1.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6767 -1.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -1.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4153 0.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1932 -1.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0909 0.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4359 -0.8432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1177 -4.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7728 -3.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 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 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 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 42 1 0 0 0 0 23 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END