IFLAB-ZINC04291650 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5150 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -0.0270 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 0.1800 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 0.6560 0.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3570 1.4100 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 1.2490 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 1.0000 2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 1.5510 3.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 2.3360 3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 2.8150 4.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 2.5970 2.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 2.0750 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 2.3160 0.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 3.4570 2.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 1.2850 4.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 0.2050 2.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 -0.5110 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9550 -0.4790 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7850 -1.5430 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8090 -2.6530 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 -2.6780 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 -1.6060 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 -3.7960 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4050 -3.7720 -2.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -0.0410 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 0.1450 -2.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.5020 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -0.5380 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -0.1440 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -1.6050 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4340 3.7850 3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1890 2.9000 2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 4.3270 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 0.3940 5.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 2.1360 5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 1.1270 4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -0.1970 3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 0.3800 -2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4150 -1.5170 -2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0050 -3.5340 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 -1.6220 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -1.5910 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -0.0960 -2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -0.1780 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -1.6280 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -0.1880 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7160 -4.8660 -0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3120 -5.5900 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 52 53 1 0 0 0 0 M END