IBS-ZINC05141851 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -0.3840 1.5630 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 0.0590 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -0.5470 1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -0.4950 0.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 -1.6320 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -1.9980 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -3.1430 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -3.9420 -2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -3.5870 -1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -2.4360 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -5.1540 -2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -5.5950 -3.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -5.8380 -3.6970 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4700 -6.9720 -2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -8.2810 -3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -9.3690 -3.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -7.9940 -4.7300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -6.5600 -4.9750 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6070 -6.3870 -5.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -6.1030 -6.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -5.2170 -7.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -4.7680 -8.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -5.1930 -8.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -6.0640 -7.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -6.5150 -6.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -9.0200 -5.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -9.4870 -5.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 -11.3410 -5.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -10.5200 -7.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -6.8790 -1.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 2.0660 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 2.0000 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 1.7770 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -0.0820 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -0.3990 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -1.6280 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -0.0990 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -1.3850 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -3.3970 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -4.1930 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -2.2110 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -4.8660 -6.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -4.0830 -8.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -4.8410 -9.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -6.3880 -7.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -7.1920 -5.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -8.6310 -6.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -9.8720 -5.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 -9.7450 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -8.7120 -5.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7850 -10.6250 -5.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -11.5610 -4.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -12.2690 -5.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -10.2350 -7.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 -9.7370 -7.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 -11.4640 -7.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -5.1230 -3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -10.7370 -6.0340 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9730 -11.4400 -5.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 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 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 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 40 1 0 0 0 0 10 41 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 18 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 14 30 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 58 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 58 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 58 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END