MMs01545275 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 40 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 1.1946 -0.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0064 -2.3953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0996 -3.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 -4.7794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 -4.5911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 -3.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6653 -2.4787 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8972 -3.3346 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7458 -4.1831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -4.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2544 -2.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3796 -1.2009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4862 -3.5515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8434 -2.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9686 -1.4178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0752 -3.7685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4324 -3.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5731 -3.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6664 -4.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 -3.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 -1.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 -1.7843 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7257 0.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 0.7257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 -0.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7433 0.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3409 -1.2622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9678 -4.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6718 -6.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5762 -4.7291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3860 -4.7473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9750 -4.9643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9212 -2.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5181 -2.6184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9435 -4.2152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5158 -5.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -3.9572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5218 -1.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 M END