IBS-ZINC02296438 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 66 0 0 0 0 0 0 0 0999 V2000 -0.0900 0.9760 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.3950 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -0.9720 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -0.1220 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 1.2580 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 1.8140 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 1.7930 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 0.7350 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 -0.4130 -0.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 -1.3400 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 0.8470 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 2.3190 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 3.2560 0.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 3.2070 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0870 4.1830 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3560 4.9560 1.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6180 4.1860 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 4.8630 2.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9310 5.8390 3.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4320 7.5750 2.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 6.5530 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3760 8.2620 4.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5600 9.6470 3.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7080 10.7010 4.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8380 11.9830 3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8210 12.1810 2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6560 11.1640 2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5580 9.8930 2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5460 11.5610 1.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1740 12.9460 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0860 13.3490 2.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 1.4020 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -1.0290 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -2.0410 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 2.8810 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 0.5440 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 0.1990 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 2.4530 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 2.5730 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 3.7850 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 3.6700 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8860 3.1770 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 4.3770 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1400 4.8850 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4790 3.8520 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3190 5.7750 4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9790 5.6430 4.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4320 8.5800 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7810 7.5500 3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9720 6.8050 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 6.6710 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3460 7.8850 4.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 8.2530 5.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 10.5280 4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1850 12.7930 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2400 9.1180 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0460 13.5710 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8800 13.1140 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 5.1690 2.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8480 7.2680 3.3720 N 0 3 0 0 0 0 0 0 0 0 0 0 10.4530 7.3320 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 59 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 60 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 60 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END