NCID-ZINC05545103 MOE2007 3D CORINA 3.40 0006 02.08.2006 89 93 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5290 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -0.5110 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -0.3640 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -1.1890 2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -0.6880 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -0.5440 -0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 0.0290 -1.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 0.6310 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -1.7250 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.2560 4.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -1.1190 5.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -1.9960 6.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -2.0720 6.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -2.8840 7.0910 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2150 -3.7900 6.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -4.9620 6.5080 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3340 -5.5710 5.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -5.8080 7.4810 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8450 -6.6170 7.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -6.4010 6.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -7.3360 7.7060 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9460 -8.0970 8.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -6.5220 8.8860 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8520 -5.7780 9.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -4.9450 8.6480 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9640 -3.7740 8.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -3.5500 8.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -4.4740 9.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -5.8520 10.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -7.5140 9.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -7.4120 11.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -8.6100 9.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -8.8520 7.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -9.8840 7.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 -10.6750 8.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -10.4440 9.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -9.4110 10.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -9.1790 11.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -8.0090 6.9820 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8000 -6.9360 6.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -8.8430 5.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -3.6470 6.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -5.5800 7.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -3.5810 4.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -0.4430 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9060 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8900 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8810 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.5630 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 0.0640 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 0.6800 2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -2.2380 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -1.1050 3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -0.3140 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 1.3740 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 0.9880 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 0.4680 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -1.8190 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -1.3970 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -2.6900 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 0.7140 4.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -0.1240 5.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -1.0590 5.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -6.9620 5.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 -5.5970 6.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -3.9200 10.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -5.8240 8.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -10.0780 6.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 -11.4800 7.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -11.0650 10.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -9.6640 11.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -6.2900 7.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -7.4130 5.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -6.3400 5.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -9.3060 5.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3680 -4.2450 5.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -2.7920 5.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9540 -3.2950 6.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 -6.1300 8.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 -6.2480 6.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9270 -5.1860 8.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -2.2740 7.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -0.0460 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -1.5320 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -0.0610 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -0.8780 3.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -1.8840 3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -4.4680 7.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 50 1 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 52 1 0 0 0 0 4 87 1 0 0 0 0 5 6 1 0 0 0 0 5 53 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 55 1 0 0 0 0 9 56 1 0 0 0 0 9 57 1 0 0 0 0 9 58 1 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 10 61 1 0 0 0 0 11 12 1 0 0 0 0 11 62 1 0 0 0 0 11 63 1 0 0 0 0 11 87 1 0 0 0 0 12 13 1 0 0 0 0 12 64 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 83 1 0 0 0 0 16 17 1 0 0 0 0 16 45 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 89 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 21 22 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 24 68 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 29 67 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 34 40 1 0 0 0 0 35 36 1 0 0 0 0 35 69 1 0 0 0 0 36 37 2 0 0 0 0 36 70 1 0 0 0 0 37 38 1 0 0 0 0 37 71 1 0 0 0 0 38 39 1 0 0 0 0 39 72 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 43 89 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 44 89 1 0 0 0 0 46 84 1 0 0 0 0 46 85 1 0 0 0 0 46 86 1 0 0 0 0 87 88 1 0 0 0 0 M END