IFLAB-ZINC04568832 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 1 0 0 0 0 0999 V2000 2.4920 2.2730 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 2.1910 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 2.9010 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 3.5960 4.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 2.8860 3.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5890 3.5140 4.7690 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4540 3.2100 5.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 3.0500 4.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 1.5870 4.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 0.9480 3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 1.5860 3.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -0.5250 3.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 -1.1890 3.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3130 -2.5640 3.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -3.2920 3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 -2.6350 3.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -1.2600 4.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -4.6470 3.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -5.3320 3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 5.0160 4.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 5.6620 3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 7.0390 3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 7.7750 4.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 7.1240 5.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 5.7440 5.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 8.0580 6.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 9.3140 6.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 9.1170 4.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 2.3420 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 1.2250 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 2.8010 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 1.1570 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 2.2100 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 3.9270 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 2.3750 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 3.5760 5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 4.6300 3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 3.4120 3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 1.8600 3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 3.3880 4.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 3.4690 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 1.0780 4.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1860 -0.6250 3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -3.0780 2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -3.2040 4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -0.7500 4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -5.0970 4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -6.4070 3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -5.0140 3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 5.0900 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 7.5410 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 5.2360 6.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 9.5190 6.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 10.1230 6.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 2.8800 1.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 2.9070 3.9400 N 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 55 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 55 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 56 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 56 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 55 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 56 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M END