IBS-ZINC04980731 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 64 0 0 1 0 0 0 0 0999 V2000 -0.7020 -1.5940 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -1.9970 1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -0.9770 4.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -0.7590 4.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -0.3200 1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 1.1830 2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 1.6580 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 3.1060 1.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 3.8210 2.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7920 3.5670 3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 5.2810 2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 5.3310 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 3.9260 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 3.6260 -0.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 6.3020 0.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 6.3340 2.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 6.1570 4.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 7.7290 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 8.4800 3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 9.8090 2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 10.3920 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 9.6490 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 8.3230 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5880 10.0940 0.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 11.3690 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 3.4300 2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3510 3.0420 3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6920 2.6540 3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4170 2.6520 2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 3.0450 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4670 3.4360 1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -1.1170 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -2.4790 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -0.9000 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -2.4850 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -2.6830 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.2500 4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.9860 4.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -0.8740 5.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 0.2490 4.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -1.4780 4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.5650 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 -0.8970 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 1.7080 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 1.4540 3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2010 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.3580 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 7.0310 4.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 8.0380 3.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 10.3920 3.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 11.4270 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 7.7510 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 11.5420 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 11.4010 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 12.1630 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 3.0440 4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1720 2.3590 4.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4610 2.3520 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 3.0480 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0140 3.7370 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -0.7690 2.6020 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0410 -0.0120 2.4800 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 61 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 61 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 61 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 46 1 0 0 0 0 7 47 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 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END