IFLAB-ZINC03913872 MOE2007 3D CORINA 3.40 0006 02.08.2006 98102 0 0 1 0 0 0 0 0999 V2000 -3.1880 2.4100 1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 2.7670 1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 4.2500 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 2.4850 3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 0.9820 3.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 0.7000 4.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.8020 4.8910 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1770 -1.3420 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -1.2540 5.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -1.0960 6.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5720 -0.5580 6.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -2.6220 6.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -3.1190 7.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -1.9840 7.6000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7060 -2.0440 6.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.7430 7.4320 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9210 0.5150 7.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 0.5400 8.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -0.6140 9.5720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8130 -0.5080 10.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -1.9710 8.8680 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8530 -2.2040 8.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -3.0250 9.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -2.9500 11.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 -1.8930 11.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -0.5890 10.6510 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2220 -0.3160 10.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -1.2770 10.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -1.3590 12.1860 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9600 -2.0100 12.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -1.9470 12.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 -0.0620 12.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8840 -0.0010 13.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -1.0240 14.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0830 1.2540 14.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 1.3150 15.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8450 2.6160 16.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4210 2.6810 17.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 3.8970 18.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2330 5.0670 17.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6600 5.0070 16.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4610 3.7950 15.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4290 6.3000 18.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9150 6.3600 19.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1490 7.5370 17.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 0.5320 11.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -0.6720 8.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 3.0120 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 2.6110 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 1.3540 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 2.1640 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 4.8520 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 4.5040 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 4.4510 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 2.8210 2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 3.0180 3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.6460 3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 0.4480 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 1.0360 4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 1.2340 5.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -2.3350 5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -0.7680 6.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -0.9780 4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -3.1250 5.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -2.8050 6.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -4.0480 7.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -3.2580 8.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 1.3880 7.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 0.6370 6.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 1.4920 9.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 0.5280 8.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -4.0150 9.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -2.8150 10.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -3.8230 11.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 0.7110 10.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 -0.4550 8.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2510 -0.9330 10.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -2.2700 10.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -2.9880 12.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 -1.3790 13.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 2.1620 14.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9320 0.4060 16.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 1.7740 18.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0550 3.9480 19.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3690 5.9170 15.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0130 3.7490 14.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0660 6.3590 20.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4940 7.2730 19.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5460 5.4950 19.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8780 7.2960 16.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0360 8.1690 17.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 8.0650 18.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 1.4840 11.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 0.5800 12.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 0.3300 12.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -0.0010 8.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -0.2960 9.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -1.6670 8.6660 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 51 1 0 0 0 0 3 52 1 0 0 0 0 3 53 1 0 0 0 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