IBS-ZINC05025554 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.8590 1.2790 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 0.9270 2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 1.3960 3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 2.8390 3.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 3.7080 2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 3.2350 1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 3.3660 4.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 2.5300 5.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 3.0370 6.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 4.4030 7.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 5.2320 6.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 4.6990 4.8780 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 6.6080 6.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 7.4790 5.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 8.9440 5.4860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2860 9.0590 6.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 9.9230 4.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 10.3070 4.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 10.3130 5.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 9.2890 6.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 4.9440 8.4880 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5280 6.0940 8.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 4.2260 9.2840 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8100 2.0920 7.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 0.2290 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 1.4000 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 1.8800 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 1.0450 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -0.1180 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 1.1600 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 0.8100 4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 3.6880 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 4.7550 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 3.7820 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 3.3600 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 7.0430 7.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 7.2240 4.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 7.3420 4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 10.8100 4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 9.5130 3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 11.2660 3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 9.5360 3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 11.2680 6.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 10.1180 5.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 1.1190 7.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 2.3590 8.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 1.7540 1.2300 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1540 1.6260 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 47 1 M END