MMs01029821 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 1.3054 0.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9162 2.2166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6237 2.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3182 2.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 2.9999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0385 4.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2541 5.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3439 5.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6365 4.4776 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2797 2.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5723 3.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5595 4.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8777 2.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1703 3.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4757 2.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4885 0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7939 0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0865 0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0737 2.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7683 3.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3919 0.0889 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2955 0.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 -0.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 -1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5877 -1.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 6.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1231 6.1513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 1.7981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0589 1.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 1.0833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3911 3.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9337 3.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4545 0.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8042 -1.1333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1077 2.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7580 4.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5871 -1.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 -0.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 0.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 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 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END