IBS-ZINC05210347 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.9400 0.7790 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -0.6890 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -1.5540 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -0.8540 -1.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -1.4230 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -1.7840 0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -1.5820 -2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 -2.1780 -2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1790 -2.6890 -1.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -3.4480 -0.9840 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4140 -4.2100 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 -4.1460 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 -5.2790 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 -5.2270 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -6.4610 1.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -6.7020 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -7.3290 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 -6.6140 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 -7.2790 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 -8.6280 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 -9.3150 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -8.6780 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 -2.5690 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 -1.9580 -0.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -1.1240 -3.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -1.1950 -4.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -0.5970 -3.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -0.4490 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 0.0200 -2.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 1.3810 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 1.2140 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 0.8760 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -1.0400 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -1.2240 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -2.5990 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -1.5180 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -2.3170 -3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -2.5180 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5850 -4.5430 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 -3.4270 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -4.4110 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6320 -6.7490 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3340 -9.1420 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -10.3620 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -9.2150 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -0.2800 -4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 -2.5950 -2.3560 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 M CHG 1 47 -1 M END