IFLAB-ZINC05258531 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 0.0170 1.3920 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 0.0100 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -0.6650 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 0.0410 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 1.4230 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 2.0990 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 -0.6950 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -1.6490 -1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 -1.8760 -2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -2.8300 -4.3890 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6140 -3.0150 -4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4240 -4.0480 -4.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6600 -5.2810 -4.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4910 -5.1950 -3.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2760 -6.4800 -4.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5960 -7.6080 -3.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 -7.7450 -3.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 -8.8600 -3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -9.8390 -2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6070 -9.7050 -2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 -8.5960 -2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 -11.0330 -2.1240 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3350 -11.1520 -2.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 -11.8960 -1.5110 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2270 -1.6190 -4.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3920 -0.6580 -4.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 1.9200 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -0.5420 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -1.7450 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 1.9760 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 3.1790 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -0.0980 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -1.6500 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 -2.6110 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -1.0580 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -2.4680 -3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9130 -0.9150 -3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7950 -4.1700 -5.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 -3.9010 -3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1910 -6.5600 -4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 -6.9810 -4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 -8.9680 -3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1400 -10.4720 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3430 -8.4940 -2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 -0.9320 -1.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -1.4290 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 -2.5940 -2.9960 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8130 -2.0970 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6920 -1.6090 -6.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1520 -0.8100 -6.4630 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 45 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 47 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END