MMs01416021 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 44 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 0.7427 -1.3032 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3427 -0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 -1.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9854 -2.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7426 -1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7572 1.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2572 1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5145 2.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2717 3.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4854 -2.6400 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7281 -3.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9853 -2.6484 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0145 -2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5145 -2.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 -1.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2718 -3.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -5.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 -6.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7863 -6.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 -5.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7717 -3.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5145 -2.5729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5435 -7.7689 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 0.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 -0.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 1.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6369 -2.3642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6999 -0.0487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3630 2.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3076 3.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8775 4.9036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2359 4.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3291 -5.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6921 -7.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7290 -5.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9087 -1.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7144 -2.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 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 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 28 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 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END