IBS-ZINC02271893 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 0 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 0.6900 -0.4780 -1.2070 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7100 -1.9470 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 0.0090 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -0.5210 -2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 0.0310 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -0.4760 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 0.0530 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 -0.4280 1.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 -0.0490 1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 0.6640 0.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 -0.5000 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3400 -0.1100 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 -0.5340 3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 -1.3460 4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1450 -1.7370 4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4120 -1.3140 3.4680 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 0.5290 -0.3650 0.8850 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 -0.3130 -2.3240 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -2.2980 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -2.3080 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 1.0990 -2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -0.3430 -3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -0.1600 -3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -1.6110 -2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -0.1690 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -0.3210 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 1.1200 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -0.1250 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -1.5660 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 -0.2980 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 1.1430 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8050 0.5230 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0900 -0.2330 3.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0330 -1.6760 5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 -2.3710 5.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -1.6170 3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 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 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 M CHG 1 3 1 M END