IBS-ZINC05210049 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.0290 1.5500 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 0.0530 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -0.7180 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -2.0920 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -2.6970 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -1.9260 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.5470 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 0.2940 -2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -2.5370 -2.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -2.9490 -3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -3.5390 -4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -3.7170 -5.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -4.2430 -6.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -3.3020 -4.7090 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -3.4250 -5.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -2.7140 -3.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 -2.1890 -2.8720 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -3.9940 -5.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -2.9390 -3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -2.7690 -2.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -4.4800 -4.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 -5.9450 -5.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 -6.7890 -3.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 -8.1850 -4.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 2.0070 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 1.9260 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 1.7990 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.2470 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -2.6910 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -3.7700 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 0.5930 -3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -0.2860 -3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 1.1820 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -3.2560 -5.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -4.9500 -5.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 -3.0500 -2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -2.0730 -3.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -2.5350 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 -3.8390 -5.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6060 -4.3200 -3.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -6.1630 -5.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -6.1260 -5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 -8.7570 -3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 -8.4500 -4.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 -8.4130 -4.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -4.1530 -4.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 46 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END