PUBCHEM-ZINC03870443 MOE2007 3D CORINA 3.40 0006 02.08.2006 82 85 0 0 1 0 0 0 0 0999 V2000 2.0040 2.4540 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 1.8780 2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 2.1730 2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 1.6650 2.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 3.0150 0.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 3.2100 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 3.6030 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 3.3330 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.9260 -0.1900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7580 3.1800 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 5.1550 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 4.7780 -1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 4.5520 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 4.2990 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 4.8340 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 4.8180 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 5.3540 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0720 5.3370 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1240 5.8730 1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4980 5.8560 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5500 6.3920 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9230 6.3760 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9750 6.9120 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3490 6.8950 1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4010 7.4310 2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7500 7.9620 2.8250 C 0 0 3 0 0 0 0 0 0 0 0 0 -16.3170 8.7590 3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2580 6.8540 3.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4810 7.3850 4.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6260 7.5530 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1760 8.3450 2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8760 8.5230 1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5290 9.2640 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5030 9.8000 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8490 9.6020 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.7400 10.0760 -0.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.1500 8.8910 1.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.0800 8.7610 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 2.2340 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 1.2050 3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 5.4700 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 5.9650 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 3.8640 -2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0920 5.5870 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 5.5070 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8470 4.1340 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 3.2770 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 4.9270 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 4.2060 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 5.8560 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 5.4460 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 3.7960 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 4.7260 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 6.3750 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0480 5.9650 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3260 4.3160 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1490 5.2450 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8710 6.8950 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4730 6.4850 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7520 4.8350 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5740 5.7640 2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2960 7.4140 2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8990 7.0040 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1770 5.3540 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0000 6.2830 3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7220 7.9330 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3240 7.5230 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6030 5.8730 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4250 6.8030 3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1470 8.4520 2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5420 5.9840 3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4770 6.5780 4.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7690 6.6740 5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2430 8.3470 4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.9660 6.5700 3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.4500 8.0750 3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4890 9.4070 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2480 10.3670 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 4.3140 0.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 3.7220 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7200 7.4150 1.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.6980 7.9140 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 79 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 79 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 21 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 22 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 23 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 24 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 25 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 25 81 1 0 0 0 0 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