MMs02598953 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 0.7611 -1.2925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 -1.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2610 -1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5222 -2.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7609 -1.2410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4997 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7386 1.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2386 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 2.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 3.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7163 3.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4774 2.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9773 2.6753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7385 1.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 0.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7608 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0220 -2.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9776 2.6238 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 0.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6089 1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -0.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -2.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5687 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -3.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 1.0598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7954 0.5609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1311 -3.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4312 -3.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3698 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9431 0.8219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6074 4.9761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3073 4.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9384 1.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2607 -1.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8697 -2.2363 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 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 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 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 39 40 1 0 0 0 0 M END