IBS-ZINC02103690 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0270 -2.0640 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 -1.8970 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 -2.3690 3.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 -1.6780 4.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 -2.4290 5.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 -2.1430 6.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 -3.6520 5.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -3.6710 3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 -4.8020 3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1360 -5.8880 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 -5.8760 5.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 -4.7680 5.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -3.8510 2.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -4.5360 2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -3.9390 3.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -6.0100 2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -6.7220 3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -8.0970 3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -8.7770 2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -8.0730 2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -6.6970 2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -10.1320 2.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -10.7670 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -12.2840 2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -12.9640 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -14.4820 1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -12.5790 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -2.2950 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -0.8080 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -0.6780 5.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 -4.8180 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2770 -6.7630 3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 -6.7430 5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8430 -4.7690 6.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -4.3270 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -6.1940 3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -8.6480 3.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -8.6050 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -6.1500 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -10.4240 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 -10.5140 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -12.6270 3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -12.5370 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 -12.6410 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -14.8050 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 -14.9670 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -14.7570 2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -12.9020 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 -11.4970 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 -13.0630 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 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 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 M END