PUBCHEM-ZINC05487257 MOE2007 3D CORINA 3.40 0006 02.08.2006 79 84 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3900 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -0.6910 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0100 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.4290 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 2.1040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 2.1430 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 1.3990 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 2.0420 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 1.2990 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 -0.0940 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 -0.7510 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 -0.0190 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 -0.6510 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 3.9050 -0.0120 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 4.2100 1.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 5.7180 2.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 5.9760 3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 7.4840 3.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 7.7420 5.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 9.2490 5.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 9.5080 7.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 11.0150 7.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 11.2730 8.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 12.7810 9.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 13.0390 10.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 14.8230 10.9140 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 14.8300 12.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 14.8180 13.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 14.8000 12.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4770 14.7890 13.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4530 14.7950 14.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2780 14.8120 15.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 14.8240 14.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 14.8420 15.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 14.8540 14.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 14.8540 13.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 14.8730 12.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 14.8970 13.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 14.9020 14.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 14.8730 15.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9110 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -0.5480 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -1.7710 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 3.1830 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 3.1200 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1370 1.7950 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0420 -0.6620 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 -1.8310 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 3.7760 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 3.7540 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 6.1520 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 6.1740 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 5.5420 3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 5.5200 3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 7.9180 3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 7.9400 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 7.3080 5.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 7.2850 5.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 9.6830 5.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 9.7060 5.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 9.0740 7.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 9.0510 7.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 11.4490 6.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 11.4720 6.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 10.8390 9.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 10.8170 9.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 13.2150 8.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 13.2380 8.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 12.6050 11.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 12.5830 11.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3510 14.7940 11.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4240 14.7750 12.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3840 14.7860 15.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2790 14.8160 16.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 14.8700 11.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 14.9110 13.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 14.9220 15.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 14.8780 16.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 42 1 0 0 0 0 2 3 2 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 4 5 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