SIAL-ZINC04534387 MOE2007 3D CORINA 3.40 0006 02.08.2006 79 81 0 0 1 0 0 0 0 0999 V2000 1.0720 0.5310 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -0.8620 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.9130 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -1.1770 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -0.2980 2.4360 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4240 0.7700 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -0.6300 3.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -1.4440 4.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 0.0040 4.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -0.2170 5.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 0.6030 5.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 1.1590 4.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 0.6520 6.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -0.0940 7.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -0.1190 8.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5470 1.2430 7.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0330 1.5300 6.5630 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7650 1.2370 5.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 3.0540 6.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 3.4320 6.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -0.5900 2.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 0.0490 1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 0.9270 1.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -0.5080 2.2050 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6630 -0.5570 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -1.8900 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 -1.8880 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3130 -0.4340 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 0.2880 1.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9530 1.5400 2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 2.0490 3.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 2.2660 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2680 3.6010 1.9810 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2650 4.4480 1.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1310 4.1910 0.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1480 5.6190 2.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1440 6.5920 1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8390 7.8490 2.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9710 8.8140 2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6650 9.9670 2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2160 10.1630 4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0710 9.2050 4.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3790 8.0510 3.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 0.6440 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 0.7080 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 1.3180 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -0.9220 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -1.9090 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -2.9170 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -1.7250 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -2.2280 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -1.1020 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 0.6550 3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 0.0850 6.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -1.2820 5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 0.4630 8.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 -1.0950 7.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 -0.2900 9.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 -0.9110 7.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 1.9890 8.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6410 1.2360 8.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -1.3040 3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 -2.0350 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -2.7030 2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1980 -2.5660 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8110 -2.1910 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -0.1830 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3720 -0.1780 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9100 2.3500 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0410 1.7200 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6080 3.9230 2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1310 6.8000 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1390 6.2160 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5220 8.6660 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 10.7100 2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 11.0590 4.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4940 9.3540 5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0360 7.3050 4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7440 3.7500 6.1070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 47 1 0 0 0 0 3 48 1 0 0 0 0 3 49 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 51 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 53 1 0 0 0 0 10 11 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 16 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 17 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 79 1 0 0 0 0 21 22 1 0 0 0 0 21 62 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 29 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 34 1 0 0 0 0 33 71 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 38 39 1 0 0 0 0 38 43 2 0 0 0 0 39 40 2 0 0 0 0 39 74 1 0 0 0 0 40 41 1 0 0 0 0 40 75 1 0 0 0 0 41 42 2 0 0 0 0 41 76 1 0 0 0 0 42 43 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 M CHG 1 79 -1 M END