PUBCHEM-ZINC03870445 MOE2007 3D CORINA 3.40 0006 02.08.2006 84 87 0 0 1 0 0 0 0 0999 V2000 2.3500 2.4930 1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 2.2600 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 2.8410 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 2.6620 3.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 3.5670 1.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 3.9360 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 3.8070 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 3.3350 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 3.6010 -0.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8960 2.6400 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 4.5580 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 4.3520 -2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 4.5730 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 4.2040 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 4.7190 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 4.7540 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 5.2640 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 5.2950 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1320 5.8000 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5300 5.8270 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5740 6.3260 2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9730 6.3490 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0170 6.8440 2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4160 6.8650 1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4510 7.3570 2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9720 7.7180 3.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 -16.8710 7.1050 3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8350 9.2110 3.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1530 9.8140 3.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2200 9.6850 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2950 8.2850 2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3010 7.3820 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5370 6.0160 1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6720 5.6710 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.7260 6.6830 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.7660 6.4020 0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.4640 7.9340 1.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.2030 8.6190 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 2.0090 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 1.6310 3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 4.4060 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 5.6040 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0010 3.3370 -2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 5.0460 -2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 5.6400 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 4.2630 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 3.1770 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 4.8560 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 4.0760 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 5.7260 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 5.4010 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 3.7480 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 4.6180 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 6.2710 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0820 5.9440 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3610 4.2890 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1370 5.1520 2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8610 6.8070 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5260 6.4770 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7990 4.8200 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5760 5.6760 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3060 7.3340 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9720 7.0010 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2400 5.3420 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0160 6.1940 3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7510 7.8520 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4180 7.5160 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6810 5.8570 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5130 6.6930 3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2320 8.3790 3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0870 9.3290 4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4750 9.7910 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4850 9.3050 4.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0130 10.8700 4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.1870 9.9800 3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0050 10.3770 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7990 5.2460 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.8780 4.6630 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 4.1940 0.5640 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0360 3.6730 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 5.1490 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7960 7.3610 2.1320 N 0 3 0 0 0 0 0 0 0 0 0 0 -15.7900 7.9960 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9550 6.4280 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 79 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 79 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 57 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 25 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 25 82 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 26 82 1 0 0 0 0 28 29 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 30 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 31 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 32 2 0 0 0 0 31 37 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 77 1 0 0 0 0 34 35 1 0 0 0 0 34 78 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 82 83 1 0 0 0 0 82 84 1 0 0 0 0 M CHG 1 79 1 M CHG 1 82 1 M END