NCID-ZINC05846821 MOE2007 3D CORINA 3.40 0006 02.08.2006 95 95 0 0 1 0 0 0 0 0999 V2000 2.1760 1.7280 4.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 0.4550 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -0.4740 4.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -0.2550 3.8150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6350 -0.4440 4.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -1.5630 3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -1.5750 1.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -2.7200 3.7400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.7000 5.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -3.9990 3.0320 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8100 -3.8150 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -4.8250 3.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -4.1420 2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 -3.3550 3.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2770 -2.7290 2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 -2.8900 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 -3.6780 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 -4.3080 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -4.7550 3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -4.2730 4.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -5.9660 3.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -6.5700 2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -6.6790 3.4490 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0710 -6.3430 4.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 -6.3930 2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -4.9140 2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -6.7230 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -8.1600 3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -8.6220 2.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -8.9720 4.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -8.4150 5.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -10.4120 4.2710 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1640 -10.6380 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -10.8400 5.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -12.3440 5.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -10.0810 6.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -11.1600 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 -10.5530 3.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 0.5920 3.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 1.5470 4.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 1.7050 5.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 2.3250 3.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 3.3320 4.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 4.2940 4.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 4.1120 3.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 2.6530 5.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 2.2340 4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 2.3900 4.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 1.4680 5.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 0.7150 2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -0.6810 5.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -1.4080 3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 0.0060 3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -2.6920 5.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -3.5850 5.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -1.8060 5.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -4.9140 4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -5.8180 2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -3.2290 4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 -2.1140 3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3860 -2.4000 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 -3.8040 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -4.9260 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -7.1100 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -7.2620 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -5.7870 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 -7.0070 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -4.3010 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -4.6670 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -4.7200 3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -7.7480 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 -6.6150 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -6.0400 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -8.4130 4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -9.0240 5.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 -7.3940 5.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 -10.6150 6.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -12.5700 5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -12.6490 6.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -12.8850 5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -9.0100 6.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -10.3860 7.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -10.3060 5.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 0.4650 2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 4.7780 4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 5.0500 5.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 3.7390 5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2260 3.4270 3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 4.8680 4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 4.5960 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 2.0980 6.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 3.4100 6.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 1.9680 5.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 -12.5010 3.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 -12.9370 3.4390 H 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 4 1 0 0 0 0 2 50 1 0 0 0 0 3 51 1 0 0 0 0 3 52 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 39 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 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