IFLAB-ZINC04315230 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3820 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -0.5130 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -1.9690 1.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -2.4940 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -1.8890 -1.3090 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1900 -2.1550 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -0.4660 -1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -2.4310 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -2.7980 2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -2.3460 3.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -4.2860 1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -6.4170 2.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -7.0740 4.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -6.7400 5.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -5.2190 5.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -4.6150 4.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -7.3350 6.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -6.7450 7.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -5.8830 7.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -7.6020 8.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -7.5570 9.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -8.6080 10.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -9.7080 10.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 -9.7700 9.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -8.7170 8.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -8.4900 7.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -0.0340 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -0.2870 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -2.2140 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -3.5800 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -2.1630 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -2.0000 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -3.5160 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -4.6390 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 -4.5070 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -6.8040 2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -6.6410 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -6.6980 4.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -8.1550 4.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -7.1510 5.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -4.8130 5.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -4.9740 6.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -3.5310 4.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -5.0110 4.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -6.7020 9.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -8.5740 11.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -10.5250 10.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -10.6310 9.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -4.9630 3.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 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 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 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 27 28 1 0 0 0 0 M END