IBS-ZINC04306286 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 0 0 0 0 0 0999 V2000 0.0760 1.5100 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -0.0150 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -0.5220 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 0.0560 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 1.5890 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 2.0990 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 -0.3890 2.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -0.5700 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 -1.1580 3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2670 -1.3090 3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0240 -0.8910 2.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -0.3410 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 -0.1770 1.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 0.0920 0.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 -0.0160 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9630 0.4880 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4700 0.3780 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2210 0.2200 -3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5180 0.5660 -4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4230 1.9760 -4.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1090 2.4640 -4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7430 2.2240 -2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9700 -1.8740 4.6650 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -1.6000 4.7440 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5640 -2.4410 5.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 -1.1110 4.8790 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4220 1.8400 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.8920 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -0.4000 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -0.4030 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -0.2550 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -1.6180 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 -0.3220 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 1.9770 2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 1.9970 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 1.8380 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 3.1930 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -0.5350 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5260 0.4950 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 0.5800 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8480 -1.0610 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4390 -0.0900 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6370 1.5280 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0330 1.0420 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7950 -0.6560 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2290 -0.8630 -2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9280 0.7090 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5370 0.2580 -4.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8350 0.0440 -5.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1020 3.5380 -4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3890 1.9880 -5.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4430 2.7260 -2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7190 2.5510 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4830 -2.2950 5.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9770 -1.8890 4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8320 0.7310 -2.6910 N 0 3 0 0 0 0 0 0 0 0 0 0 10.1600 0.2430 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 56 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 56 1 M END