IBS-ZINC02124449 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 82 0 0 1 0 0 0 0 0999 V2000 -0.1890 1.6340 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 0.1140 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2810 -0.1650 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -0.5180 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 0.4430 2.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4350 1.3700 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 0.7040 2.9000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9470 1.6180 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 0.8380 4.3980 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7320 0.2440 5.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 0.3360 4.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 0.4160 5.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2120 3.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 2.3110 4.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 4.2530 4.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 4.7060 4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 4.1390 5.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 2.6700 5.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 2.2170 5.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 4.5890 5.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1130 4.1680 6.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4180 4.6160 6.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7950 5.4820 5.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8680 5.9030 4.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 5.4630 4.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -0.5430 2.7180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6900 -1.4250 2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -0.5620 1.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5200 -0.5250 0.1040 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1930 0.0230 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -1.9900 -0.3840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6160 -2.5140 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -2.5600 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9940 -1.8900 1.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0490 -1.6660 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -2.7740 2.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -3.6040 3.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -3.5910 2.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 -4.5520 4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -2.0430 -1.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -3.0820 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -3.9190 -1.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -3.2050 -3.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 0.5920 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -0.6200 3.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 2.0340 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 1.9920 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 1.9660 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -1.4900 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -0.6980 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 2.4090 5.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 2.9070 4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 4.6480 3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 4.6220 5.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 5.7940 4.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 4.3590 3.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 2.2750 6.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1940 2.3010 4.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 2.5640 6.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 1.1290 5.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 3.4910 7.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1440 4.2880 7.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8150 5.8300 5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 6.5790 3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 5.7960 3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -2.2830 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 -3.6390 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 -4.0670 5.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -5.4490 4.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -4.8250 4.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -2.6940 -4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -4.2580 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -2.7510 -4.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 1.5430 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 0.5880 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 0.4580 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 0.1770 3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 2.7840 4.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 4 5 1 0 0 0 0 4 49 1 0 0 0 0 4 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0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 45 77 1 0 0 0 0 M END