IBS-ZINC02093119 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 66 0 0 1 0 0 0 0 0999 V2000 0.7090 1.8780 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 0.9570 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 0.3390 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 0.6490 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 1.5720 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 2.1980 1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 1.7020 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 2.4400 1.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 0.7170 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 0.5750 0.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -0.4420 -0.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2220 -0.3340 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9700 0.7430 -1.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1180 0.3040 -1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2940 0.9730 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2830 0.2550 -2.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0840 -1.0700 -2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0110 -1.8100 -2.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0540 -1.0550 -1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8260 -1.4510 -1.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3200 -2.8180 -1.5720 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1520 -3.4710 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6790 -3.2220 -2.9380 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3540 -2.2980 -3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3840 -3.9640 -2.5080 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5070 -3.3510 -2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5430 -4.1610 -1.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1390 -5.0510 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2760 -3.0030 -0.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 -4.2250 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 -4.3160 1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2420 -3.7430 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2560 -5.2110 -3.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1480 -5.2240 -3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4450 -4.1010 -3.5820 O 0 5 0 0 0 0 0 0 0 0 0 0 11.4850 2.3210 -1.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 0.1820 -0.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2790 -0.6410 -1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 0.1870 -3.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 1.1450 -3.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 1.9170 -4.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 1.7330 -5.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 0.7770 -5.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 0.0030 -3.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 2.6930 -6.8060 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 2.3420 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 0.7190 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -0.3710 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 2.9060 2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 -1.3750 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8980 -1.6090 -3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 -3.3190 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 -5.0930 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7460 2.8560 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3590 2.7390 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2260 -1.1800 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 -1.4300 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 1.2990 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8710 2.6560 -4.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 0.6250 -5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -0.7440 -3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 46 1 0 0 0 0 2 3 2 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 48 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 49 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 36 54 1 0 0 0 0 36 55 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 56 1 0 0 0 0 38 57 1 0 0 0 0 39 40 1 0 0 0 0 39 44 2 0 0 0 0 40 41 2 0 0 0 0 40 58 1 0 0 0 0 41 42 1 0 0 0 0 41 59 1 0 0 0 0 42 43 2 0 0 0 0 42 45 1 0 0 0 0 43 44 1 0 0 0 0 43 60 1 0 0 0 0 44 61 1 0 0 0 0 M CHG 1 35 -1 M END