PUBCHEM-ZINC06193522 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 72 0 0 1 0 0 0 0 0999 V2000 3.6010 0.3430 -5.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -0.2530 -4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 0.2250 -2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 -0.1930 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -1.9840 -3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -3.2840 -3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -4.3730 -3.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -4.4420 -4.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8660 -3.5660 -4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -5.6850 -3.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -6.1330 -4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -5.4400 -5.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -5.8710 -6.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -5.1830 -7.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -4.0620 -7.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 -3.6320 -5.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 -4.3280 -4.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -2.4370 -5.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 -3.3120 -7.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5380 -3.7720 -9.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -7.2600 -3.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -6.3250 -2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -7.3870 -2.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -5.4240 -2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 -5.6230 -1.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.4210 -5.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -3.3710 -6.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -3.3010 -8.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -4.2800 -8.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -5.3440 -7.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -5.4110 -6.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -6.2270 -8.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -7.3840 -7.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -8.2460 -8.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -4.1860 -9.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 1.1670 -4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -0.4140 -5.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 0.7360 -6.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 0.4880 -4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0570 -5.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 0.3860 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 1.1520 -2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -0.3620 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 0.5980 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -1.1060 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -1.6680 -3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -2.1240 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -3.1610 -4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -3.5780 -3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -6.7330 -6.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 -5.5440 -8.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -3.9990 -3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 -2.6100 -5.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 -2.2370 -4.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0650 -1.5440 -5.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 -3.7440 -9.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 -4.7740 -9.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2240 -3.0910 -9.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -7.3780 -4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -2.6010 -6.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -2.4930 -8.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -6.2160 -5.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -7.0910 -7.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -7.9580 -7.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -8.5370 -9.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 -7.6900 -9.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -9.1490 -8.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -4.9640 -10.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -0.8440 -3.3000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3190 -1.2300 -3.1990 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 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 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 21 59 1 0 0 0 0 22 23 2 0 0 0 0 22 24 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