IBS-ZINC05026536 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 0 0 0 0 0 0999 V2000 1.4000 -1.2450 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -0.2730 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -0.9580 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -1.3560 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -1.9130 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -2.2620 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 -1.9770 -2.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -1.5940 -3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 -1.5670 -4.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -1.2360 -3.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -1.2630 -2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -1.3140 -2.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -0.8560 -4.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 0.0690 -5.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 0.4500 -6.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -0.0750 -7.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -1.0070 -7.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -1.3870 -6.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 0.3060 -8.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -1.0960 1.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -0.6260 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -1.1330 3.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -0.6180 5.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.1870 7.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -0.6250 8.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 -2.0100 8.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -2.8330 7.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -2.5150 6.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -0.7100 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -1.7350 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -2.0300 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 0.5120 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 0.2800 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 -2.3200 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 0.5360 -4.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 1.1670 -6.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -1.4540 -8.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -2.1370 -6.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -0.3760 -9.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 0.2650 -9.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 1.3290 -8.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -1.5990 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -0.9730 2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 0.4700 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -0.7950 3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -2.2280 3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -0.9840 5.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 0.4770 5.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 0.8580 7.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -0.3400 7.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -0.0530 9.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -0.4440 8.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -3.8760 8.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -2.7040 7.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -2.6910 6.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -3.1030 5.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -1.0370 6.1980 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3510 -0.8600 5.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 11 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 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 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 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 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 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END