IBS-ZINC02291955 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 0.0920 1.3430 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -0.0500 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -0.7880 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -0.1520 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 1.2440 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 2.0160 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 3.4190 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 4.3160 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 5.6600 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 6.3860 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 6.9640 0.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 6.3020 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 5.7030 0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 6.6260 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 7.9430 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 8.0290 0.2850 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 6.1740 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 6.9950 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 6.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 5.2610 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 4.4540 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 4.8760 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 3.2350 1.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0480 3.3630 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4430 4.6500 0.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -2.5960 -0.5140 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -2.9990 0.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -2.8970 -0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -2.9520 -2.0390 N 0 5 0 0 0 0 0 0 0 0 0 0 2.3890 -2.6580 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 1.9040 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -0.5470 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -0.7320 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 1.7030 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 3.8590 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 3.8420 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 8.8440 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 7.9970 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8380 7.1650 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 4.2100 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3800 2.5860 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5460 3.2060 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 3 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 29 -1 M END