IFLAB-ZINC05258770 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 -0.2920 1.7980 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 0.2700 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -0.2700 1.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -1.6250 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -2.4150 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -3.7900 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -4.3820 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -3.5910 2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -2.2160 2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 -4.2220 2.7770 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0840 -3.5290 3.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 -5.4340 2.7740 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1070 -5.7780 1.7400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -6.5530 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -6.0470 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -8.0500 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -8.6870 -0.0800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3960 -8.2420 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -10.1700 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -10.9530 -0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -8.4970 -2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -8.2520 -3.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -8.2950 -4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -7.1330 -4.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -8.1740 -6.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 2.1050 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 2.2100 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 2.1660 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -0.0370 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.0980 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -1.9540 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -4.4050 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -1.6010 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -6.1860 2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -8.4310 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -8.2970 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -7.7240 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -9.4750 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -7.2740 -3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -9.0240 -3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -9.2390 -4.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -7.1640 -5.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 -7.2190 -3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -6.1890 -4.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -9.0020 -6.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -8.2050 -7.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -7.2300 -6.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -10.6200 1.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -8.4560 -1.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -7.5820 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -11.5790 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 48 51 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END