IFLAB-ZINC04251164 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 1.8830 3.6410 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 2.1980 -0.9280 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 1.7350 0.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 2.3990 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 0.9210 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 0.1000 -1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -0.9050 -2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -1.0930 -3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -0.2670 -4.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 0.7400 -3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -0.4630 -5.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 0.2580 -5.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -1.4390 -6.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -1.6960 -7.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -2.1230 -8.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -2.3760 -9.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -2.2050 -9.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -1.7770 -8.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -1.5300 -7.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -2.4760 -10.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -2.3430 -10.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 -2.0580 -10.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 -2.6890 -12.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3290 -2.7510 -12.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 -3.1460 -14.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1860 -3.4820 -14.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -3.4280 -14.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -3.0290 -12.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -2.8740 -11.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 3.4120 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 3.8900 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 4.4880 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 0.2430 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 -1.5420 -2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -1.8760 -4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 1.3800 -3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -1.9640 -6.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -2.2550 -8.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -2.7070 -10.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -1.6440 -8.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -1.2030 -6.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 -2.4910 -12.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3020 -3.1950 -14.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 -3.7900 -15.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -3.6920 -14.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 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 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 29 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 M END