IBS-ZINC00181287 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.5520 1.5130 3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 0.1380 3.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -0.7740 2.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -2.0480 2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -2.9840 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -4.2770 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -4.6460 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -3.7010 2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -2.4090 2.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -6.0290 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -6.8240 0.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -6.2960 -0.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -7.1090 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -8.2990 -0.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -6.5410 -2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -7.6680 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 -7.1160 -4.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -6.7390 -4.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -6.2910 -5.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 -6.3500 -6.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -6.8750 -5.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -7.0460 -5.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -6.6960 -7.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -6.1750 -7.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -6.0070 -7.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 1.4300 3.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 2.2080 3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 1.8790 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 0.2210 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -0.2290 4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -2.6980 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -5.0050 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 -3.9820 3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -1.6760 3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -6.3800 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -5.3450 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -5.8040 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -6.0640 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -8.4050 -3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 -8.1450 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -6.8020 -3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -7.4500 -5.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -6.8280 -7.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -5.9050 -9.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 -5.5990 -8.0880 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 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 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 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 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 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END