IBS-ZINC04954912 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 1.1930 1.8800 -4.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 0.8320 -3.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 0.9030 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 0.5410 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -1.3090 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -2.2710 -3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -3.6270 -3.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -4.2320 -4.2610 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2800 -3.6630 -4.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -5.5930 -3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -5.7520 -2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -4.4790 -2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -4.2680 -1.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -6.8360 -1.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -6.6700 -4.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -7.7320 -4.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -6.4210 -4.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -7.0390 -5.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -6.8420 -5.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -6.0390 -4.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 -5.4320 -3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -5.6220 -3.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -4.2310 -5.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -3.7830 -6.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -3.7590 -8.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -4.1900 -8.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -4.6560 -7.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -4.6770 -6.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -4.1440 -9.9840 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4580 -3.8010 -10.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -4.4470 -10.4140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5630 2.6550 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 1.4260 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 2.3720 -5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 1.2660 -3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 0.0940 -4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 0.6970 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 1.9670 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 0.7390 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 1.1420 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -0.5120 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -1.2610 -2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -1.6340 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -1.9300 -4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -2.3150 -3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -6.5930 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -7.6760 -6.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 -7.3220 -6.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5610 -5.8970 -4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 -4.8250 -2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -5.1650 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -3.4480 -6.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -3.4040 -8.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -5.0070 -8.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -5.0470 -5.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 0.1090 -2.8490 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1700 0.0230 -3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 56 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 56 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 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 56 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 46 1 0 0 0 0 15 16 2 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 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M CHG 1 56 1 M END