MMs01392839 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 54 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 1.2978 0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2953 2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0043 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6373 -0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8959 0.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8934 2.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4939 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0920 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6901 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6876 2.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3873 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0895 2.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9854 3.0217 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2332 4.3194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7375 1.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2831 3.7738 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 15.3234 3.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6006 -1.4957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 -2.2478 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 -3.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5506 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2953 -2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5931 -3.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5906 -4.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2903 -5.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0075 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8884 -5.2565 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6017 1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0382 -0.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 -0.5191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2586 1.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4953 2.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2933 3.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0953 2.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1981 -1.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7211 1.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2637 1.6814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0244 -0.9075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5671 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3943 -1.1827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7303 0.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3853 4.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0493 2.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6408 -2.0939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2973 -1.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -2.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2883 -6.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 -5.0983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 22 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 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 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 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M CHG 1 20 -1 M END