IBS-ZINC04981962 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -0.3340 1.0440 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -0.3950 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -1.1810 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -2.4910 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -3.0160 -0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -2.2050 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -0.9110 -0.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -2.7060 -2.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -4.0740 -2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -4.7200 -3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -3.9060 -4.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -2.6330 -4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -1.8670 -3.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -3.3020 2.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -4.6110 2.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -5.0540 3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 -4.2190 3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.1850 5.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -0.7170 2.7580 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6510 -1.4440 3.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 0.3610 3.0920 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4730 1.6630 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 1.4140 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 1.1650 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -4.0320 -2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -4.7130 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -5.6890 -3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -4.8980 -3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -2.0580 -5.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -2.7880 -4.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.9310 -3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -1.6070 -3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -4.6430 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -5.2870 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -6.0560 3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -5.0310 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -5.2350 3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -4.0040 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -3.4830 3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -3.9720 5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -5.1940 5.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 -3.4340 5.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -4.0890 4.0700 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8720 -3.1160 3.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 43 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 43 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 43 1 M END