IFLAB-ZINC05239859 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 0.2230 1.3350 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.1270 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -1.0280 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -0.4510 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -0.9630 1.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -0.1470 -0.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -0.5490 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 0.5250 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 0.0180 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2640 0.7640 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3850 1.3900 2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 0.5010 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 0.8600 -2.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 1.4850 -3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 1.9900 -4.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 2.6030 -5.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 2.7170 -6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 2.2240 -5.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 1.6110 -4.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 0.9180 -3.3380 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 1.5970 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 2.0250 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 1.5230 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -0.3540 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -2.0850 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -0.8460 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -0.8540 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -0.8100 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -1.4820 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 0.7980 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 1.4360 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 -0.2470 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9540 -0.8540 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4400 -0.1620 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5350 0.6490 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8230 1.5970 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3670 1.7820 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 0.4670 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0620 2.1510 2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 1.8990 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 2.9930 -5.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 3.1960 -7.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 2.3140 -6.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7950 1.0950 0.9050 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.6670 1.9630 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 44 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 44 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END