IBS-ZINC05049231 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.5800 8.4270 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 8.7750 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 6.7870 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 6.6490 2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 5.2050 3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 5.0340 4.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 5.2480 5.6070 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6600 6.2190 5.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 5.2460 6.6110 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4800 4.7380 5.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 4.6890 4.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 4.4140 3.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5950 4.4370 6.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 6.6430 7.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 7.6230 6.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 6.8390 8.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 5.8510 9.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 6.0910 10.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 7.3130 11.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 8.3090 10.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 8.0680 9.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 9.5450 10.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 9.8440 12.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 4.2070 6.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 2.8740 5.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.9760 6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 2.4180 6.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 3.7520 7.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 4.6500 6.8150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 9.4910 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 7.8330 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 8.1030 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 8.1450 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 9.8020 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 8.7800 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 6.4620 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 6.2020 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 7.3180 3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 6.9440 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 4.5380 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 4.9000 3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 4.5560 7.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 4.8980 8.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 5.3240 11.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 7.4550 12.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 8.8510 8.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 10.8600 12.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 9.8240 12.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 9.1670 12.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 2.5230 4.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 0.9340 5.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 1.7400 7.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 4.1510 7.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 8.2320 0.7450 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0250 8.8010 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 54 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END