IBS-ZINC05428387 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 0 0 1 0 0 0 0 0999 V2000 -1.0950 1.3600 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -0.1340 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -0.4720 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 -0.9270 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -0.5950 -1.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -0.1090 -1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 0.7390 -0.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -0.6710 -2.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -0.2620 -2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 0.2230 -3.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -0.7580 -5.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -1.1810 -4.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -1.6890 -3.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -0.0400 -6.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 0.2280 -7.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 0.8340 -8.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 1.1820 -8.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 0.9270 -8.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 0.3240 -6.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -2.0330 -5.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -2.2280 -4.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2220 -2.9100 -6.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -4.1600 -6.3360 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6890 -4.3330 -5.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 -4.1500 -7.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 -3.4380 -7.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 -2.7490 -6.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5780 -3.6160 -9.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -3.1690 -9.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 -4.1740 -9.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 -5.3700 -6.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -5.0930 -6.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 1.9810 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 1.5930 -1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 1.6730 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -0.2770 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -1.5260 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 0.1150 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -0.7400 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 -2.0050 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -0.6660 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 0.5360 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 -1.1220 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 1.1860 -4.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1150 0.4310 -3.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -0.3130 -4.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -1.9490 -5.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -2.5940 -3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -1.9540 -3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 -0.0370 -7.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 1.0240 -9.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 1.6410 -9.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3480 1.1840 -8.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 0.1120 -6.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 -2.7400 -6.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7780 -5.1760 -8.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -3.6740 -8.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -6.4840 -6.0900 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 5 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 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 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 17 18 2 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 31 32 2 0 0 0 0 31 58 1 0 0 0 0 M CHG 1 58 -1 M END