PUBCHEM-ZINC06193522 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 72 0 0 1 0 0 0 0 0999 V2000 -5.4990 2.6880 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 1.6050 1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 1.7770 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 1.5240 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -0.4860 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 -1.4320 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 -2.8070 1.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 -3.3820 2.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5110 -2.8110 3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 -4.7610 2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -5.8000 3.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -5.4460 4.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -4.7180 4.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -4.3960 5.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -4.8030 6.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -5.5380 6.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -5.8680 5.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -5.9920 8.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -4.5250 7.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -4.0650 7.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -6.9080 3.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -4.9680 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -6.0860 0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 -3.7050 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -3.5400 -1.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 -3.3610 3.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7900 -3.7450 2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0040 -3.7210 3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0210 -3.3320 4.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8510 -2.9760 5.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 -2.9830 4.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0270 -2.6360 6.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -2.5680 7.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 -2.3890 8.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2210 -3.3100 5.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9310 3.1300 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0320 3.4940 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3200 2.2770 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 1.9950 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 0.8350 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 1.5180 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 2.8350 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 2.1490 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 0.4820 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 1.7740 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 -0.5050 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -0.7800 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4770 -1.1290 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 -1.4060 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -4.4120 3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -3.8290 5.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -6.4490 5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -5.1320 8.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -6.5090 8.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 -6.6850 8.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -4.7510 7.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -3.0500 7.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -4.0310 9.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -5.8800 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 -4.0640 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9250 -4.0110 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 -2.6970 5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -3.4940 7.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2380 -1.7110 7.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9130 -3.2250 9.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4130 -2.3290 9.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8780 -1.4770 8.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9960 -3.0160 6.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 0.9540 0.6060 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6870 0.9310 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 2 69 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 3 69 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 46 1 0 0 0 0 5 47 1 0 0 0 0 5 69 1 0 0 0 0 6 7 1 0 0 0 0 6 48 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 10 11 1 0 0 0 0 10 22 2 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 59 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 29 30 2 0 0 0 0 29 35 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 62 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 69 70 1 0 0 0 0 M CHG 1 69 1 M END