NCID-ZINC04544283 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 81 0 0 1 0 0 0 0 0999 V2000 0.8560 -0.2420 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -0.0900 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -0.8860 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -0.6210 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -0.3440 2.4720 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1500 -0.7840 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -0.9510 3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.2480 4.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 1.1030 2.6620 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 1.6020 3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 0.8530 3.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 3.0900 3.5350 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5310 3.5810 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 3.6140 4.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 5.1170 4.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 5.7160 5.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 7.0940 5.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 7.8740 4.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 7.2740 3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 5.8960 3.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 3.3760 4.2950 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 4.5750 4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 5.4180 3.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 4.8680 4.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 6.2270 4.6560 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1230 6.7100 5.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7450 6.0200 6.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5930 8.1080 4.9340 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8170 8.8220 5.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8860 8.2270 3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8130 8.3930 5.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1390 9.6670 5.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4240 10.5760 5.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3940 9.9600 6.7730 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.1950 9.3040 6.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1340 9.7200 8.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4190 9.8940 9.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2520 8.8100 9.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4300 8.9670 9.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7780 10.2140 10.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9400 11.3000 10.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7600 11.1370 9.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9360 10.3710 11.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -1.2810 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 0.0550 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 0.3940 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 0.9630 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -1.9380 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -0.7780 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -0.5080 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -1.6950 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -0.1220 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 1.7020 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 3.1900 5.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 3.3240 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 5.1070 6.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 7.5620 6.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 8.9500 4.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 7.8830 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 5.4280 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 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