IFLAB-ZINC05258959 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 1 0 0 0 0 0999 V2000 -0.5850 -0.0940 -1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -1.1790 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -2.1190 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -2.3230 0.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -3.1320 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -3.9220 -0.2970 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -3.3200 2.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -4.2200 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 -4.2360 1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7530 -5.1240 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6810 -5.9990 2.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 -5.9870 3.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -5.0920 3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -6.8730 4.9060 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6140 -7.1890 5.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 -6.7480 5.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 -8.0920 6.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9230 -8.2900 7.3890 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3660 -7.3180 7.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 -9.0910 8.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3910 -10.1520 8.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1880 -8.7170 6.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0330 -9.4820 5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7490 -8.9950 4.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 0.1260 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 0.5780 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -1.3980 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -3.0760 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -1.6910 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -1.8760 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -2.8310 3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7820 -3.5550 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6160 -5.1360 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 -6.6920 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -5.0780 4.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 -7.2590 5.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -7.6380 7.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 -9.0580 6.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4680 -9.0260 7.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3620 -7.6470 6.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0900 -9.3370 5.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7930 -10.5440 5.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2500 -9.4360 3.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0940 -8.6260 9.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 -9.0090 6.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5900 -10.0020 6.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 -9.1740 10.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 44 47 1 0 0 0 0 45 46 1 0 0 0 0 M END