MMs02504220 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 63 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 1.5000 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2513 -1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7513 -1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7487 1.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2487 1.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 -1.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2513 -1.2906 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6513 -2.3298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1342 -2.5032 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9828 -3.3517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5604 -2.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5588 -0.5382 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5980 -1.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1318 -0.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7714 0.3447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1985 -0.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0789 1.0971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1960 2.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7699 1.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 2.8472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9645 4.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3906 4.7798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5064 3.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9325 4.2422 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.2429 5.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8488 5.3173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.6722 -3.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6770 -5.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2150 -6.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2198 -7.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6867 -7.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 -5.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1439 -4.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6915 -8.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 -2.3366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3524 -2.3338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3476 2.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6476 2.3400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6241 -1.7037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 -2.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8111 -3.2117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7537 -1.9116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5705 -1.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4169 5.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4911 6.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0688 5.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0414 -6.7217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8501 -8.7264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3223 -5.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5136 -3.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8006 -9.1889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4954 -9.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5825 -7.5812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 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 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 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 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 34 35 2 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 37 57 1 0 0 0 0 37 58 1 0 0 0 0 37 59 1 0 0 0 0 M END