IFLAB-ZINC04249035 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 0.2940 1.5460 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 0.1690 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6980 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -0.1500 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 1.2300 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 2.0720 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9670 1.8470 -0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2080 1.2320 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 0.0320 -0.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 2.1680 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4700 1.8270 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5600 2.6920 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 3.8900 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4400 4.2260 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 3.3580 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9440 5.0100 -0.4290 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9060 5.6760 0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0620 4.0890 -0.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6520 5.9610 -1.6690 N 0 5 0 0 0 0 0 0 0 0 0 0 8.8440 6.4980 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -2.1400 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -2.8240 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -4.1220 0.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -4.1860 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -3.0130 0.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -5.7870 0.3740 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -6.4360 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -5.3650 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 2.2100 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -0.2080 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -0.8270 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 3.1490 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 2.8560 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4850 0.8930 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4200 2.4360 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4410 5.1510 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 3.6160 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.5110 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -7.3950 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -6.5880 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -5.2570 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -5.5730 -0.4100 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 M CHG 1 19 -1 M END