MMs01090487 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 62 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 0.7535 -1.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2535 -1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0071 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7607 -3.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0142 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 -5.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2393 -3.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4929 -2.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7393 -3.9074 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4287 -2.7482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4858 -5.2084 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3343 -6.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9538 -4.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1147 -3.4092 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1147 -2.2092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7461 -2.7954 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3461 -1.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4382 -1.3273 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.4158 -2.6628 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.7128 -3.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7087 -4.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0057 -5.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3067 -4.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3108 -3.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0139 -2.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0180 -1.1699 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.7210 -0.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3191 -0.4235 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7322 -6.5054 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1322 -7.5447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2322 -6.5013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4787 -7.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9787 -7.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7251 -9.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9716 -10.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4716 -10.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7251 -9.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2251 -9.0994 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4787 -7.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4716 -10.3964 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0376 0.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 1.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0376 -0.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9607 -3.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6171 -6.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0957 -1.5646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 -6.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1538 -4.9039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6678 -5.5135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0024 -6.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3443 -5.5263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3517 -2.8263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9308 -7.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5815 -6.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9251 -9.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5687 -11.4495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8687 -11.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 46 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 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 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 34 55 1 0 0 0 0 35 36 1 0 0 0 0 35 56 1 0 0 0 0 36 37 2 0 0 0 0 36 57 1 0 0 0 0 37 38 1 0 0 0 0 37 58 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 39 1 M CHG 1 41 -1 M END