IFLAB-ZINC04568726 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 0.3000 1.3830 1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 0.0040 1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -0.6740 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0240 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 1.4030 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 2.0930 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 3.5700 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 4.1690 1.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 4.2530 0.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 5.7170 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 6.2350 0.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8160 5.9670 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 7.7350 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 8.3120 1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 9.6870 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 10.4900 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 9.9080 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 8.5290 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 10.9000 -1.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 12.0700 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 11.8460 0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 5.3170 2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 4.6390 2.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8320 5.4930 2.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 5.8210 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 6.5110 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -2.1530 0.9640 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3890 -2.7700 1.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -2.7530 0.4430 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5220 1.9110 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -0.5470 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 -0.5110 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 1.9460 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 3.7760 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 6.1120 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 6.0430 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 7.6880 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 10.1350 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 8.0750 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 12.1450 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 12.9680 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 4.6450 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 6.2360 2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4340 4.4540 3.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9080 3.6930 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0830 6.4910 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 4.9090 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8280 7.4500 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3350 6.7120 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 5.6330 0.8500 N 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 50 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END