IBS-ZINC02106347 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 1.1410 -0.8460 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.1800 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -0.4620 -0.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6300 0.0420 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -1.9760 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -2.3250 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 -1.7170 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -0.2150 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 1.6160 1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 1.9130 2.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 0.9740 3.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 3.2160 3.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 4.4020 2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 5.1360 3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 4.9590 4.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 5.8510 4.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 6.1300 6.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 7.1040 6.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 7.7970 4.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 7.5370 3.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 6.5600 3.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 6.1110 2.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 6.4620 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 3.9580 5.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 3.5310 4.5850 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5130 4.4210 4.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 2.5670 5.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 2.4870 6.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 1.9400 4.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 1.0700 5.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 -0.4820 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -1.9320 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -0.6180 -1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -0.4920 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 0.8940 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -2.3930 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -2.4810 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -1.9580 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 -3.4140 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8370 -1.9410 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -2.1680 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 0.2720 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 0.2090 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 2.1480 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 1.9060 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 4.1320 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 5.0000 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 5.5960 7.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 7.3220 7.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 8.5510 4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 8.0760 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 3.0910 5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 4.3970 6.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 0.2950 5.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 1.6420 5.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 0.5840 4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 0.1100 1.0750 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7530 -0.3310 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 57 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 8 57 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 9 57 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 24 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 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END