CHEMDIV-ZINC00945496 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -4.7540 -6.0670 -2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -5.6080 -1.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -4.3860 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7410 -3.6500 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 -2.3960 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 -1.8880 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -2.6290 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -3.8810 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -4.6090 -0.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -4.4100 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -2.1350 0.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -0.8470 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0190 -1.6070 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0220 -2.0490 -1.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 -0.3970 0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2000 0.3920 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4540 -0.2060 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5900 0.5760 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4800 1.9520 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2330 2.5490 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0930 1.7740 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9320 2.9450 -0.2590 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.5440 4.1650 -0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9590 2.1070 -0.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3680 3.3250 1.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5380 4.1160 2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8950 4.4420 3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0290 5.2380 4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8980 5.6580 3.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5950 5.3290 2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3860 4.5720 1.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3320 5.5820 5.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3890 6.4030 6.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -7.0510 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 -6.1320 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 -5.3680 -3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 -4.0440 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -0.9190 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -5.0500 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -4.6620 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -3.3670 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -0.5730 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -0.1100 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -0.8740 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 -0.0730 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5400 -1.2800 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5650 0.1120 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1500 3.6240 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 2.2410 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2040 2.9940 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8200 4.0860 3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6690 5.6860 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4310 5.8870 6.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2650 7.3440 5.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7530 6.6040 7.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 45 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 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 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 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 32 33 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END