IBS-ZINC05047124 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.9430 -0.1140 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 0.1390 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.5240 1.2640 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7940 -0.1540 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -2.0530 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -2.7440 2.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.3510 3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -0.8430 3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 1.3480 2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 1.7500 3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 1.6940 3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 2.0570 4.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 2.0240 3.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 1.6140 2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0630 1.5900 2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9910 1.9750 3.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5510 2.3870 4.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1770 2.4120 4.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7840 2.8590 5.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6060 3.2090 6.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 2.8620 6.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 2.4740 5.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 2.5330 5.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 2.1740 4.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 2.2010 5.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 2.9820 7.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 0.2600 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 0.4020 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -1.1780 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -0.2140 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 1.2210 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -2.4420 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -2.3250 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -3.8310 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -2.4710 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -2.7310 3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -2.8200 4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -0.6030 4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -0.4360 4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 1.7980 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 1.7240 2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 1.3710 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0210 1.3010 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4010 1.2690 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0530 1.9560 2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2850 2.6890 5.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 2.6570 6.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 2.2560 7.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 3.9590 7.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 3.0730 7.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -0.1620 2.3790 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0990 -0.5140 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 51 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 51 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 24 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 22 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 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END