PUBCHEM-ZINC00690282 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 76 0 0 0 0 0 0 0 0999 V2000 2.7190 1.6270 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 2.5010 -3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 3.7310 -3.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 4.6000 -4.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 4.2660 -4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 3.0550 -3.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 2.1750 -3.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 0.8990 -2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 0.9180 -1.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -0.2040 -3.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -0.1040 -5.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -0.3580 -5.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -1.2850 -4.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.5400 -6.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5950 -6.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 1.4890 -7.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 1.3330 -7.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 0.3250 -6.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -0.4550 -5.8610 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2150 2.2600 -8.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6290 1.5900 -9.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5660 0.3690 -9.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 2.4260 -10.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4870 1.8520 -12.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9470 2.1560 -12.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 4.2340 -11.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 3.8730 -10.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6260 3.9920 -12.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 5.4570 -13.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5720 6.2360 -12.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7690 7.6000 -12.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2560 8.1970 -13.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5540 7.4330 -14.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3560 6.0690 -14.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -1.5370 -3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -1.7800 -2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -2.0430 -1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 1.8540 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 0.5650 -2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 1.7930 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 4.0260 -3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 5.5460 -4.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 4.9540 -4.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 2.8010 -4.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.8530 -5.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 0.8700 -5.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 1.2590 -6.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 0.0100 -6.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 3.0890 -8.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1100 2.6700 -8.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 0.7700 -12.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 2.2960 -12.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6330 1.6860 -11.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1830 1.8290 -13.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9150 5.3210 -11.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4900 3.8150 -10.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 4.3590 -11.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 4.2490 -9.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 3.4320 -13.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2720 3.6070 -11.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9830 5.7930 -11.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3250 8.1980 -11.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4120 9.2590 -13.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1660 7.9020 -15.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8140 5.4930 -14.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -2.2980 -4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -0.9280 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -2.6330 -2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -3.0740 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -1.3810 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1960 3.6600 -12.3810 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5990 4.1050 -13.0910 H 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 5 6 2 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 47 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 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 71 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 71 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 71 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 71 72 1 0 0 0 0 M CHG 1 71 1 M END