ASINEX-ZINC04458512 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 0.2070 1.3500 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.0020 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -0.0320 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -0.2040 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -1.1040 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -0.8330 -1.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -2.3900 -0.5080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -3.4860 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -4.4880 -1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -4.9040 -0.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -3.7680 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -2.7350 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -5.9400 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -5.7420 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -6.7710 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -8.0010 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -8.1930 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -7.1680 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -7.3750 1.0790 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2260 -8.4500 1.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -6.4710 1.0910 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6540 -8.8220 -0.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6000 -8.1210 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 -8.5440 -1.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1460 -6.8810 -1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8880 -5.8270 -1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -10.2090 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 1.4950 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.3720 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 2.1470 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 0.6780 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -1.0350 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 0.2400 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 0.1070 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -1.2580 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 0.3930 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -3.0870 -2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -3.9810 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -4.0200 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -5.3610 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -3.3100 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -4.1170 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -3.1600 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -1.8410 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -4.7890 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -9.1440 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 -5.8920 -2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9550 -5.9500 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5660 -4.8520 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 -10.2250 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 -10.7540 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -10.6800 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END