PUBCHEM-ZINC03936138 MOE2007 3D CORINA 3.40 0006 02.08.2006 79 82 0 0 1 0 0 0 0 0999 V2000 0.3390 0.1350 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -0.9870 0.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2740 -1.8430 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -0.4800 1.4550 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4630 0.5990 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -1.1870 1.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -1.6580 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -1.3760 -0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 -2.4320 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -2.9110 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 -3.6330 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 -3.8880 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 -3.4190 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -2.6850 1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 -2.2190 2.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9870 -3.6730 2.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.8780 2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -2.0500 2.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 0.0710 3.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -0.3090 4.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -0.3180 5.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -0.7150 6.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -0.7230 7.9040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -1.0460 9.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -1.3290 8.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -1.0540 10.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -0.7280 10.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -0.7380 11.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -1.0690 12.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -1.3930 12.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -1.3830 11.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 -1.6950 11.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -1.7180 13.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 1.4810 2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 1.8910 1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 3.3230 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 3.7150 0.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 4.9440 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 5.7260 0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 5.3390 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 4.4420 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 4.8150 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 6.0770 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 6.9760 -2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 6.6160 -1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 7.4980 -1.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 8.2130 -3.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 0.9990 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -0.2110 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 0.4160 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -2.7160 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1930 -4.0030 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5510 -4.4540 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 -2.8320 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6560 -2.9980 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 0.4090 4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -1.3030 3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -1.0360 5.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 0.6760 5.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 0.0040 6.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -1.7090 6.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.4970 7.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -0.4700 9.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 -0.4860 11.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -1.0740 13.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -2.6360 11.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -0.9610 14.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 2.0950 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 1.6240 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 1.2160 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 1.8380 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 3.9980 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 3.3760 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 3.0910 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 3.4570 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0130 4.1200 -2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9900 6.3600 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 7.4480 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 8.8800 -2.6900 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 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