IFLAB-ZINC05144761 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0910 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 1.6700 3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 1.2550 3.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 1.7240 2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 1.1450 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 1.7030 4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 1.4140 5.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 1.8810 6.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 2.6140 7.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 2.8400 6.7840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 2.4010 5.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 3.1380 8.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8670 2.8130 8.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4250 3.3010 9.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6840 4.1120 10.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 4.4400 10.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 3.9500 9.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 5.2600 11.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 4.9960 12.8030 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 5.9600 13.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 4.8670 13.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 3.4230 13.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 3.2130 13.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 1.8890 13.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 1.0240 13.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 1.8900 13.1380 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 1.4210 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 0.0020 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 1.3000 4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 2.7580 3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 1.3940 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 2.8120 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 0.0570 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 1.5140 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 0.8430 4.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 1.6850 6.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4490 2.1800 7.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4430 3.0490 10.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 4.4920 11.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 4.2000 8.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 5.9850 10.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 4.0150 13.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 1.5800 13.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -0.0450 13.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 M END