NCID-ZINC05439683 MOE2007 3D CORINA 3.40 0006 02.08.2006 90 92 0 0 1 0 0 0 0 0999 V2000 0.0180 1.5100 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.0200 0.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5330 -0.3720 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -0.5420 1.2610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2660 -0.1580 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -2.0730 1.2670 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1670 -2.4500 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -2.5240 1.2200 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2810 -2.1790 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -1.9240 -0.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4870 -2.2060 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -0.5000 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -2.4310 -1.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -2.7840 -2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -3.2720 -3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -3.6150 -4.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -4.0550 -5.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -3.9760 -5.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -3.5160 -3.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -4.3650 -6.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -3.4660 -4.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -3.0040 -3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -2.6750 -2.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -3.9500 1.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -2.5800 0.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -0.0990 1.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 1.1170 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 1.8440 2.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 1.5730 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 2.9180 2.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2080 3.5330 2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2050 2.9720 1.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3080 4.9170 2.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7660 5.3800 2.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 6.7860 3.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3260 7.2480 3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4270 8.6540 4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8850 9.1170 4.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9860 10.5220 4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4440 10.9850 4.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5460 12.3900 5.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0040 12.8530 5.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1050 14.2580 5.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5630 14.7220 5.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6640 16.1270 6.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1350 16.5400 6.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9070 17.1140 5.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 1.8760 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 1.8820 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 1.8620 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -2.5190 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -4.2540 -5.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 -2.8950 -3.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -4.3050 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -3.5450 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -0.6810 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 0.8850 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5890 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 3.3670 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 5.6050 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 4.9010 3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3780 4.6930 3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1210 5.3960 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2560 7.4730 2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 6.7690 4.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9370 6.5610 4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6800 7.2650 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8150 9.3410 3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 8.6380 5.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4970 8.4290 4.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 9.1330 2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3740 11.2100 4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6320 10.5060 5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0560 10.2970 5.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7990 11.0010 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9340 13.0780 4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1910 12.3740 6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6150 12.1660 5.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3580 12.8700 4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4930 14.9460 5.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7500 14.2420 6.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1750 14.0340 6.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9180 14.7380 4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2280 16.1300 7.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5710 16.5370 5.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2070 17.5410 6.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6740 15.8360 7.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8600 16.8200 5.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9800 18.1160 5.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3440 17.1110 4.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 52 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 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