IFLAB-ZINC04568727 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -1.6160 6.5360 2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 6.8090 3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 7.1990 4.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 7.3280 4.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 7.0500 3.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 6.6380 2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 6.3200 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 6.5690 0.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 5.7090 1.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 5.3660 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 6.2840 -0.0300 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4050 6.0980 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 7.7610 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 8.2860 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 9.6480 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 10.4640 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 9.9680 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 8.6300 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 10.9350 1.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 12.1050 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 11.8050 0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 4.4020 -1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5600 4.1170 -2.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7340 4.9240 -2.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4010 6.3120 -2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7010 6.7250 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 7.4760 6.2460 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4710 7.2710 6.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 7.8960 7.1940 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1880 6.2330 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 6.7130 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 7.6450 5.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 7.1830 3.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 5.4680 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 4.3360 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 5.3590 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 7.6360 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 10.0510 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 8.2800 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 12.5880 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 12.8020 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 3.8220 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 4.1820 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 3.0690 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 4.2870 -3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3330 6.8750 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 6.5250 -3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3380 6.5450 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 7.7780 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 5.8830 -1.3270 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8030 6.0940 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 50 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 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 50 1 M END