IFLAB-ZINC05258692 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 -0.5020 0.1780 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 0.3870 3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 2.3040 1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 2.9610 2.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 4.4830 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 6.5770 3.7390 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5830 6.8700 2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 7.1820 4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 6.7780 3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 6.0760 2.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4020 7.1970 3.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4580 6.9160 2.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7340 6.6900 3.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7760 6.4120 2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5510 6.3590 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2810 6.5830 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2350 6.8670 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0650 6.5300 -0.7270 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 7.0800 4.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 6.2980 5.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -0.9020 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 0.4630 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 0.4810 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 0.6170 3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -0.6890 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 0.8950 4.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 2.6060 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 2.6200 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 2.6460 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 2.6600 3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 4.7980 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 4.7840 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 6.8170 5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 8.2680 4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5660 7.6940 4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9100 6.7300 4.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7670 6.2370 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3680 6.1410 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 7.0460 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 0.8430 2.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 5.1130 3.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 4.7870 3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 8.3960 4.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 8.6700 5.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 40 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 41 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 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 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 39 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 M END