IBS-ZINC02139946 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 0.0220 0.5160 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 1.6980 2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 2.8990 3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 2.7020 3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 3.3130 4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 3.0670 4.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2610 2.2370 3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 1.6230 2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 1.9020 2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 1.3160 1.3990 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4510 0.2270 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 1.8540 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 3.2920 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 3.7050 0.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 4.2240 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 3.7940 -1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 4.7210 -2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 6.0770 -2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 6.5120 -1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 5.5880 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 6.0790 -0.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 0.7410 1.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 0.3400 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5990 2.1380 3.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7540 2.9840 5.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 3.5820 5.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.4610 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 0.8070 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 0.5110 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 1.8650 2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 0.7620 3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 3.0160 4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 3.8190 3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 3.9500 5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 1.2600 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 1.7650 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 2.7490 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8250 4.3870 -3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 6.7920 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 7.5640 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 5.3050 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 -0.1430 2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0510 1.1830 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5580 -0.4020 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4680 3.7800 4.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1600 2.3850 5.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 1.5370 1.5220 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6240 2.4640 1.0660 H 0 0 0 0 0 0 0 0 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 1 47 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 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 47 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END