PUBCHEM-ZINC06078401 MOE2007 3D CORINA 3.40 0006 02.08.2006 77 80 0 0 1 0 0 0 0 0999 V2000 2.7970 6.9110 3.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 6.4510 2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 4.4330 1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 4.4770 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 4.3300 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 2.9170 1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 2.3020 1.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 1.2710 0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1360 1.1060 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 1.7340 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 2.6240 -2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 3.0720 -2.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 2.7060 -2.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 1.8370 -2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 1.3340 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -0.0870 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -0.1790 1.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 -1.1870 -0.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -2.5550 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 -3.5020 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 -4.9540 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -5.3840 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -4.4450 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -2.9910 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7030 2.7460 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 3.7760 2.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8860 2.0180 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 0.6660 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5040 0.5130 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0370 1.7720 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 2.6670 0.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1650 3.6720 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3740 2.1830 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4940 1.4030 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7750 1.7880 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9510 2.9540 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8480 3.7360 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5670 3.3520 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 6.5690 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 8.0050 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 6.5440 4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 6.8340 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 6.7950 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 3.3990 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 5.0490 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 3.8700 3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 5.4950 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 4.0770 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 4.9950 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 4.3470 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 2.9790 2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 2.2550 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 2.9690 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 3.7610 -3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 1.5450 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 0.6470 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -1.0550 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 -2.5760 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 -3.4160 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 -3.2100 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 -5.6080 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 -5.0740 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -5.4010 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -6.4060 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -4.7420 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -4.5370 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -2.3450 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -2.8680 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 -0.1370 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0220 -0.4250 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3860 0.4930 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6340 1.1770 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9470 3.2530 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9850 4.6430 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 3.9740 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 4.9310 1.9800 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8380 4.6120 2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 2 76 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 3 76 1 0 0 0 0 4 46 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 5 76 1 0 0 0 0 6 7 1 0 0 0 0 6 51 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 54 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 24 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 67 1 0 0 0 0 24 68 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 69 1 0 0 0 0 29 30 2 0 0 0 0 29 70 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 34 71 1 0 0 0 0 35 36 1 0 0 0 0 35 72 1 0 0 0 0 36 37 2 0 0 0 0 36 73 1 0 0 0 0 37 38 1 0 0 0 0 37 74 1 0 0 0 0 38 75 1 0 0 0 0 76 77 1 0 0 0 0 M CHG 1 76 1 M END