IBS-ZINC02106349 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 1.4380 0.2650 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 0.1990 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.7160 0.4420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8040 -0.5340 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -2.1940 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -3.1430 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -2.8080 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -1.3620 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 1.0250 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 1.3450 -2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 0.6030 -3.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 2.4430 -3.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 3.3360 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 4.6680 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 5.0700 -4.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 6.4220 -4.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 7.3630 -5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 8.6480 -5.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 9.0020 -4.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 8.0870 -3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 6.8050 -3.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 5.7200 -2.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 5.7190 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 4.1430 -5.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 2.6780 -4.7680 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3010 2.0370 -5.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 2.1970 -5.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 1.5710 -4.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 2.4990 -6.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 2.0710 -7.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 0.9180 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -0.7190 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 0.6750 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -0.1410 1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 1.2160 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -2.3850 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -2.4310 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -4.1770 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -3.0750 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -2.9890 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -3.4710 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -1.1150 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -1.1650 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 1.6940 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 1.1370 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 2.8630 -2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 3.4340 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 7.0970 -6.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 9.3770 -6.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 10.0060 -4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 8.3650 -2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 4.3450 -6.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 4.3280 -4.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 0.9800 -7.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 2.5380 -7.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 2.3890 -8.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -0.4300 -0.9830 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5850 -0.6010 -1.6270 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 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 57 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 8 57 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 9 57 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END