IBS-ZINC06662649 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -1.0420 1.5600 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 0.0430 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -0.2230 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -0.2980 1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -0.7380 -0.4720 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8970 -0.4660 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -0.3790 -1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -0.8830 -2.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -2.1920 -0.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -2.9680 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -2.5120 1.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -4.4660 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -5.2450 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 -6.7470 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -7.1100 -0.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -6.4350 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -4.9220 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -7.7080 -1.0890 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 -8.3990 -2.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 -8.3870 -0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 -6.2530 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -5.7540 -2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3060 -4.6230 -3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1250 -4.0080 -2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2190 -4.5290 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4860 -5.6620 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 2.1000 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 1.8750 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 1.8820 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -1.3490 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 0.3020 2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -0.1040 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -2.5910 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -4.6430 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 -5.0060 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 -4.9210 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -7.1110 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -7.2540 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -6.7860 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -6.7150 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -4.5490 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -4.4720 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9330 -6.2270 -3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2410 -4.2170 -4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6940 -3.1210 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8610 -4.0480 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5690 -6.0620 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 0.3490 -2.5270 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 48 1 0 0 0 0 9 10 1 0 0 0 0 9 33 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 17 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 M CHG 1 48 -1 M END