IBS-ZINC02130106 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 0.6640 0.9870 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -0.4560 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -0.9550 1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -0.6170 0.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5760 -0.1500 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -2.1450 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -2.6200 0.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 0.0020 1.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -0.6700 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 1.3130 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 2.1340 0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 1.7080 2.2760 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6850 1.7580 3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 0.7010 2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 0.6540 4.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 -0.2410 4.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3800 -1.0980 3.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 -1.0570 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 -0.1610 1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 3.0530 2.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 3.2420 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 2.3720 0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 4.5960 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4900 4.8780 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 6.1690 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5710 7.1710 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6210 6.8860 1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 5.5930 1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 5.2990 2.7920 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 6.0210 3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 4.0590 2.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 3.9010 3.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 1.0360 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 1.3790 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 1.6480 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -1.0610 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -0.3770 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -2.0090 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 -0.8650 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 1.3170 4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 -0.2700 5.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1090 -1.7970 4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6640 -1.7240 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 -0.1470 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8280 4.0990 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7430 6.3940 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9740 8.1770 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 7.6770 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -2.7130 -1.1630 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 49 1 0 0 0 0 8 9 1 0 0 0 0 8 10 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 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 23 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 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 M CHG 1 49 -1 M END