ANALYTICONDISCOVERY-ZINC04221468 MOE2007 3D CORINA 3.40 0006 02.08.2006 76 80 0 0 1 0 0 0 0 0999 V2000 2.5440 -1.0230 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 0.3340 0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 1.1480 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 2.3540 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 2.2620 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 0.9950 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 0.4140 -1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -0.7560 -1.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 1.2600 -2.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 0.8760 -4.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2250 -0.0990 -3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 1.9410 -4.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 2.9620 -5.1960 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3410 3.4580 -5.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 2.1170 -5.9740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 0.8450 -5.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 2.5310 -7.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 3.6510 -7.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 1.4530 -8.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0550 0.7990 -7.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 0.6140 -8.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 1.3590 -9.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 1.8780 -10.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 2.7030 -10.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 1.9320 -9.0690 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9640 1.0020 -9.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 2.7040 -8.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 3.4250 -7.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 2.5500 -9.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2910 1.5820 -10.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7370 1.8830 -10.5740 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2800 0.9680 -10.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3090 2.5560 -9.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1330 3.3650 -8.7560 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1960 3.4440 -7.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 4.8000 -9.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1180 4.8490 -10.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7770 2.7860 -11.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0970 2.4120 -12.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3620 1.2730 -13.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0610 3.5230 -13.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2880 3.8260 -14.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8470 4.7920 -13.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 4.0330 -4.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 3.5920 -3.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -1.0970 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 -1.7020 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -1.2630 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 0.8060 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 3.2100 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 3.0550 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 2.2530 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 1.4800 -4.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 2.3770 -3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 0.7280 -5.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 0.0340 -5.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 -0.3090 -9.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 0.3070 -8.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 0.6900 -10.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 2.1990 -9.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.0270 -11.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 2.4810 -11.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 2.9680 -10.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 3.6580 -9.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 0.5860 -9.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 1.6430 -10.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5890 1.7800 -8.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 3.1630 -9.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5120 3.7820 -11.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 3.6210 -14.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1860 3.2470 -14.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1400 4.1030 -15.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3890 5.7250 -14.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 4.8750 -12.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2930 5.7450 -8.5460 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5400 5.2030 -4.3890 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 50 1 0 0 0 0 5 6 2 0 0 0 0 5 51 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 52 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 38 1 0 0 0 0 33 34 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 36 75 1 0 0 0 0 38 39 1 0 0 0 0 38 69 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 70 1 0 0 0 0 42 43 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 43 73 1 0 0 0 0 43 74 1 0 0 0 0 44 45 2 0 0 0 0 44 76 1 0 0 0 0 M CHG 1 75 -1 M CHG 1 76 -1 M END