PUBCHEM-ZINC03872717 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 68 0 0 1 0 0 0 0 0999 V2000 0.7850 0.2840 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -0.8720 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -1.6430 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -0.3920 1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 0.3100 2.5320 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5810 1.0430 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 1.0410 3.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 2.3080 3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 2.9860 2.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -0.7140 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -1.2800 3.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.9540 1.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 -1.9430 1.6560 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5930 -2.0410 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 -3.3040 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -4.1540 2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -4.2290 2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -5.0960 3.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -5.3140 3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -5.6300 3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -5.0550 3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 -5.4370 3.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1600 -6.3720 4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -6.9240 5.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -6.5620 4.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -1.3970 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -0.7850 -0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 -1.6960 1.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6940 -1.3050 0.2700 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4730 -0.3210 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8940 -2.2710 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9200 -1.1820 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3580 0.0920 1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4630 0.2360 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1410 -0.8910 2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7130 -2.1610 2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6090 -2.3070 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 1.0390 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -0.0780 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 0.7750 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -1.5650 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -1.0050 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -2.4990 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 -2.0280 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -1.2580 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 0.2830 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 1.3540 4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 0.3610 4.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -0.4210 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -3.8710 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -3.1540 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -3.7180 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 -5.0190 2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -6.6690 4.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -7.6470 5.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -6.9920 5.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 -2.1930 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9990 -3.3080 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7850 -2.0080 -1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -2.2420 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8340 0.9840 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7910 1.2270 2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9970 -0.7790 3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2360 -3.0410 2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2930 -3.3110 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 2.5260 4.5330 O 0 5 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 4 1 0 0 0 0 2 41 1 0 0 0 0 3 42 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 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 9 2 0 0 0 0 8 66 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 35 36 2 0 0 0 0 35 63 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 M CHG 1 66 -1 M END