IBS-ZINC02255231 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 64 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0290 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.1840 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 2.2350 -1.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3590 2.8780 -1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9650 3.4170 -0.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 2.9290 -2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8030 1.9620 -3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0260 2.4620 -4.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8150 1.7950 -5.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4050 0.6680 -5.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -0.0520 -6.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8460 -1.1960 -5.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6320 -1.6710 -4.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8210 -1.0030 -3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1880 0.1850 -4.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3890 0.8510 -3.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 3.6240 -5.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 3.8990 -3.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 4.9800 -3.7700 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 4.4450 -6.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0870 3.9660 -7.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 4.8110 -8.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 4.4380 -9.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6950 5.2130 -10.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 6.3610 -10.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 6.7340 -9.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 5.9560 -8.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 7.3500 -12.2010 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 8.6580 -11.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 7.0700 -12.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 6.7850 -13.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -0.8180 -0.0380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 3.1980 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 1.6910 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 1.8060 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4260 0.3020 -7.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4930 -1.7450 -6.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1160 -2.5820 -4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6640 -1.3830 -2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 5.1110 -2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6630 5.6150 -4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 5.4870 -6.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 4.3560 -6.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 2.9240 -7.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 4.0550 -6.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3480 3.5400 -9.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 4.9220 -11.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 7.6310 -9.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 6.2460 -7.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 7.3910 -13.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 5.8490 -13.0770 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 38 1 0 0 0 0 2 3 2 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 2 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 M END