NCID-ZINC05954695 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 81 0 0 1 0 0 0 0 0999 V2000 0.4260 1.0220 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -0.4800 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -1.2190 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -0.7390 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -0.1040 2.6220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2530 0.9540 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -0.2520 3.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.8580 4.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 0.2880 3.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 0.7720 3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 0.1440 5.2190 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0100 -0.8300 5.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 1.2480 6.2010 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0230 2.2210 5.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 1.1360 6.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 1.1040 7.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 1.7520 7.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 2.4160 6.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 1.6500 8.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6850 0.2540 4.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.4340 3.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5900 0.1510 5.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9880 0.2670 5.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 0.1280 6.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2980 -1.1200 7.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0880 -1.2480 8.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4310 -0.1280 9.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 1.1200 8.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1980 1.2480 7.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -0.7740 2.7750 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.2100 3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -0.0680 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 1.0980 2.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -0.7300 2.9270 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2410 -1.4890 3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -1.3590 1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 -1.3930 1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 -0.1020 2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 0.2750 3.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 1.3580 4.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 1.5290 4.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 2.3560 4.3530 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6930 2.6160 3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2430 1.7450 5.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 3.5330 4.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 1.3800 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 1.2060 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 1.5480 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -0.8380 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -0.8610 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -2.2890 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -1.0340 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -1.8130 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 -0.3020 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 0.1620 6.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 1.9220 7.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2430 5.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 0.6080 8.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 2.2380 8.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 2.0320 9.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2400 -0.5190 4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 1.2410 5.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 -1.9950 6.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4370 -2.2230 8.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0480 -0.2280 9.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2520 1.9950 9.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 2.2230 7.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -2.3640 4.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -2.6490 2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -2.6840 2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 -0.7290 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -2.3660 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0160 -1.3680 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 -2.2710 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 0.6930 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3690 -0.2840 3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7740 1.5360 6.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0660 2.4450 5.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6250 0.8170 4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 3.3760 5.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 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