IFLAB-ZINC04939566 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 1.6740 0.9110 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -0.3980 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -0.6410 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 0.4030 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 1.7100 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 1.9780 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 3.3280 0.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 3.8280 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 3.2010 -0.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 5.3390 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 5.8140 0.3270 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5550 5.5350 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 7.3500 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 7.6280 -1.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 5.2070 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 5.3040 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 5.5450 -1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8380 5.5790 -2.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4990 5.8100 -4.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2060 7.1210 -4.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8010 7.3080 -4.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0490 7.1600 -3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -1.8940 0.8620 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 1.0630 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -1.2260 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 0.1970 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 2.5130 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 3.9950 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 5.7700 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 5.6820 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 4.2970 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 6.0820 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9810 4.3850 -2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7010 6.1220 -2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 6.4160 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0820 4.6590 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0070 4.5570 -2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1880 6.3030 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5860 5.7270 -4.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1740 5.0640 -4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6520 8.3160 -5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4360 6.5960 -5.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3910 7.8940 -2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9730 7.2550 -3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 8.0650 1.0670 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9400 5.1780 -0.7840 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5730 4.2240 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 5.8410 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3280 5.7770 -2.9780 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9830 5.0720 -3.6450 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 26 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 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 13 14 2 0 0 0 0 13 45 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 49 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 45 -1 M CHG 1 46 1 M CHG 1 49 1 M END