NCID-ZINC05545106 MOE2007 3D CORINA 3.40 0006 02.08.2006 90 94 0 0 1 0 0 0 0 0999 V2000 4.1310 -3.5090 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -4.0440 3.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -2.9190 4.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -2.6160 5.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -3.9180 5.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -5.0650 4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -5.2280 4.1750 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -6.2400 3.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -4.8400 3.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -6.3720 5.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -0.6860 6.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -1.3880 6.6870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -1.8480 7.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -1.6840 8.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -2.6860 8.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -3.4040 9.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -4.4080 9.7230 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9570 -4.4840 10.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 -3.9790 9.0950 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9310 -4.7920 9.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -2.7370 9.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 -2.3740 9.1000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8490 -3.2580 9.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 -2.0980 7.5990 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3450 -3.3560 6.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -3.7900 7.5880 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8650 -2.8380 7.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -2.2400 6.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -5.0790 7.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 -4.0440 6.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1920 -1.6340 6.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2720 -1.5880 5.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3610 -1.1760 7.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2700 -0.9670 9.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4300 -0.5250 9.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6310 -0.3140 9.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6990 -0.5260 7.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5650 -0.9480 6.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6760 -1.1270 5.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 -1.1700 9.7560 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0670 -1.3430 11.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 0.0070 9.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -6.1820 9.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -6.9140 9.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -3.3250 10.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 -4.4530 3.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -2.7340 2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -4.2970 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 -3.0490 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -3.2090 5.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 -2.0050 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -2.2290 4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -4.2320 6.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -3.7490 5.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 -6.8910 3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -3.8650 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -5.6080 2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -4.8880 3.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -6.2800 5.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -7.2280 4.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -6.6130 6.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -0.2580 5.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 0.1390 6.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -1.5460 6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 -2.9810 10.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -1.8750 9.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -5.0950 6.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 -1.2890 7.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4360 -0.3300 10.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5140 0.0240 9.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6270 -0.3560 7.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7690 -1.3460 5.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 -1.4110 11.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 -0.4680 11.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6510 -2.2320 11.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 0.7820 9.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -6.0800 10.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -5.5220 8.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -7.2130 8.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -6.7090 9.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 -6.9190 11.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -7.8720 9.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -2.6300 10.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 -3.5880 3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3030 -4.8730 4.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1790 -5.2030 2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -1.5790 6.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -1.9890 7.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -5.8390 9.2160 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8930 -5.8540 8.2250 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 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 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