NCID-ZINC04430814 MOE2007 3D CORINA 3.40 0006 02.08.2006 82 87 0 0 1 0 0 0 0 0999 V2000 -0.9900 2.6000 -0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 1.6510 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 2.2200 1.5160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3890 1.5720 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 1.9010 0.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 0.5480 0.3820 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2030 -0.1150 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 0.1490 -0.3100 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 1.1570 -0.5630 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6470 1.2450 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 2.4660 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 3.5520 0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 1.2400 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 2.3470 -0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 2.4460 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 1.6670 0.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 3.5990 1.4990 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6750 3.0780 2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2100 3.8980 4.0640 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3630 3.1610 4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6520 4.3650 3.7550 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2470 3.4390 3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2860 5.1790 4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8190 6.6550 4.9730 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8960 6.6450 5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4630 7.2490 3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5280 6.5770 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8540 5.0990 2.4290 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0950 4.4550 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4380 4.7800 0.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2500 5.0070 2.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3130 7.2130 1.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 8.6480 3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1890 9.1300 2.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3850 9.4860 4.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2490 8.9940 5.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6080 9.8560 6.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1140 11.1620 6.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2540 11.6360 5.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8940 10.8000 4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0470 11.3140 3.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8220 7.5830 5.7230 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2160 7.6730 5.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9820 7.0800 7.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3520 5.5350 3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4260 4.3410 5.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 2.0590 3.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 3.6380 2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 4.0460 2.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 1.1520 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 3.0090 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 2.0930 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 3.4470 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 1.6210 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 0.5850 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 3.0820 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0880 4.6870 5.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3720 5.1290 4.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3290 5.2490 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4910 6.6040 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2820 9.5090 7.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4040 11.8100 7.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 12.6510 5.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 10.5820 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1720 8.0350 4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8640 8.3570 5.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7370 6.7120 5.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5170 6.2700 7.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 4.8330 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8990 5.9980 2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 6.3490 4.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 3.9870 6.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 3.5100 5.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 5.1100 6.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 4.2610 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 0.6910 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 0.4120 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 1.9780 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 0.5070 -0.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 0.4480 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 4.9030 4.5650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 4.2040 1.9080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 48 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 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 79 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 13 79 1 0 0 0 0 14 15 1 0 0 0 0 14 56 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 75 1 0 0 0 0 18 19 1 0 0 0 0 18 47 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 81 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 26 27 2 0 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 40 2 0 0 0 0 36 37 2 0 0 0 0 36 42 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 39 2 0 0 0 0 38 62 1 0 0 0 0 39 40 1 0 0 0 0 39 63 1 0 0 0 0 40 41 1 0 0 0 0 41 64 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 43 65 1 0 0 0 0 43 66 1 0 0 0 0 43 67 1 0 0 0 0 44 68 1 0 0 0 0 45 69 1 0 0 0 0 45 70 1 0 0 0 0 45 71 1 0 0 0 0 45 81 1 0 0 0 0 46 72 1 0 0 0 0 46 73 1 0 0 0 0 46 74 1 0 0 0 0 46 81 1 0 0 0 0 48 49 2 0 0 0 0 48 82 1 0 0 0 0 50 76 1 0 0 0 0 50 77 1 0 0 0 0 50 78 1 0 0 0 0 79 80 1 0 0 0 0 M CHG 1 82 -1 M END