PUBCHEM-ZINC03712672 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.0880 1.3990 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.5020 2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 1.6850 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 1.5860 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1860 1.7600 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 2.0520 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 2.1230 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 1.9440 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3410 2.3010 1.3150 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6720 2.4480 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0840 1.0890 1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6700 0.1740 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3390 -0.9560 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 -1.1840 2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8470 -0.3040 3.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1750 0.8280 3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0710 -2.2660 3.2650 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.2220 3.9120 1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6140 4.9490 3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0140 6.3340 2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 5.9170 2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 4.8330 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 0.4580 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 1.3920 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 2.2370 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 2.4690 2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 1.2890 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 0.7160 3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 1.3620 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 1.6700 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 2.3130 3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 2.0200 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6070 0.3260 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7880 -1.6620 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9190 -0.5090 4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 1.4870 3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7250 2.9750 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5270 4.2020 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7060 5.0500 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3790 4.5680 4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0800 6.7090 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5230 7.0430 3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 5.5740 2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2350 6.8150 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6450 5.2410 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 4.4600 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 3.6680 1.9780 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3980 3.5620 2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5830 6.3480 3.2750 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3580 7.3250 3.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4770 5.8570 4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 1.5360 1.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 52 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 3 52 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 47 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 49 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 M CHG 1 47 1 M CHG 1 49 1 M END