PUBCHEM-ZINC04782703 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 68 0 0 0 0 0 0 0 0999 V2000 -0.0070 1.9020 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 0.4490 0.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -0.3570 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 0.0460 1.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -1.7880 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -2.8790 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -4.1900 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -4.4190 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -5.6870 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -6.7600 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -6.5420 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -5.2760 1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -7.5910 1.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -7.2970 2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -8.0170 -0.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -8.5370 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -9.8600 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -10.3790 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -9.5520 2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -8.2470 2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -7.7820 1.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 -10.0630 3.0650 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9420 -11.3090 2.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 -9.2730 3.9650 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2210 -1.8050 -0.0440 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -0.0940 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 0.5780 -0.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 1.9000 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 2.4900 -1.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 3.8400 -1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 4.6680 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 4.1360 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 2.7940 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 6.0300 -1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 6.7190 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 8.2320 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 8.6020 -1.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 7.9500 -2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 6.4340 -2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 2.1380 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 2.2920 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 2.3570 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -2.7210 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -3.5910 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -5.8620 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 -5.1080 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -6.6200 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -8.2200 3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -6.8250 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -10.4760 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -11.4030 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -7.5990 3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 1.8570 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 4.2820 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 4.8020 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 2.3910 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 6.4490 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 6.4250 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 8.7480 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 8.5100 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 8.2620 -3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 8.2190 -2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 5.9320 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 6.1590 -2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END