IFLAB-ZINC04939588 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 -3.3510 1.5850 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 0.1080 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -0.4680 1.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 -0.4440 0.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -1.7910 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -2.7990 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -4.1140 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -4.4480 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -3.4410 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -2.1250 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -5.7970 0.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -6.3580 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 -5.8020 -0.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -7.8490 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -8.3210 0.6740 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9420 -7.8900 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 -9.8680 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -10.3710 -0.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 -7.9320 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 -7.8100 -1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 -7.9770 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0550 -8.5160 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7600 -8.4810 -4.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7990 -7.1500 -4.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4790 -6.6410 -4.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6890 -6.5770 -3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 1.9860 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 2.1060 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 1.7540 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 0.1840 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 -2.5990 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -4.8680 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -3.6390 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -1.3670 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -6.4160 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -8.0930 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -8.3620 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -8.8850 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 -7.1060 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 -8.5770 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 -6.8350 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3480 -7.1860 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1290 -8.9480 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9710 -9.5410 -2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5690 -7.8830 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7930 -8.8240 -4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2680 -9.1430 -4.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 -5.6350 -5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9650 -7.2640 -5.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1780 -5.9140 -2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 -6.2490 -3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -10.3850 1.8540 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2290 -7.8870 -0.5680 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9500 -8.6280 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -6.9540 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 -7.9600 -2.8940 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1270 -8.5870 -3.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 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 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 53 1 0 0 0 0 17 18 2 0 0 0 0 17 52 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 56 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 56 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 52 -1 M CHG 1 53 1 M CHG 1 56 1 M END