PUBCHEM-ZINC04578966 MOE2007 3D CORINA 3.40 0006 02.08.2006 83 86 0 0 1 0 0 0 0 0999 V2000 9.5010 3.1100 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7290 1.8490 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 1.0080 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7350 -0.1700 1.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 -1.0300 2.7790 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3120 -0.4340 3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 -1.7800 2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 -2.6530 3.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8400 -3.6750 3.9880 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4700 -4.5090 5.1960 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9230 -5.3890 4.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 -3.7960 6.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0310 -4.7580 7.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 -5.2540 8.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2360 -5.9230 7.0620 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7380 -6.8140 6.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6980 -5.0570 5.9290 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2430 -5.7130 5.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6450 -3.9350 6.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9770 -3.1100 5.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1640 -2.9820 4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5650 -2.0380 2.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2770 -6.4730 8.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3890 -7.0380 9.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9900 -6.3840 9.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6670 -5.9540 9.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -7.4000 8.5230 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0620 -6.8840 8.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 -8.1450 7.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -8.4000 9.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -9.3240 9.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -10.3250 10.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -11.2490 9.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -12.0960 8.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -12.1660 10.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8350 -4.1000 8.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9190 -4.6410 2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4470 2.8280 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6960 3.7100 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 3.6920 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7830 2.1320 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3200 1.2680 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4020 0.7260 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 1.5890 2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 -1.0480 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 -2.3810 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5880 -2.0160 4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 -3.1800 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 -2.9290 6.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -3.4650 5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3490 -4.2260 7.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 -5.5820 6.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2120 -3.2540 7.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5730 -4.3500 6.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9320 -2.6090 5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 -2.5920 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4760 -1.5060 3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8460 -7.2820 7.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9460 -5.7000 8.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 -8.1200 9.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8150 -6.7770 10.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 -9.1120 7.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3920 -7.5570 6.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6240 -8.2960 7.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5430 -8.9930 9.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 -7.8610 10.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 -8.7310 8.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 -9.8640 8.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -10.9180 10.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -9.7850 11.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -10.6500 9.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -12.6950 8.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -12.7550 8.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -11.4430 7.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -11.5630 11.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -12.8250 10.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -12.7650 11.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 -3.8180 9.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 -4.4150 9.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9960 -3.2440 8.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1600 -4.0820 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6940 -5.3850 2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -5.1410 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 43 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 2 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 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