IFLAB-ZINC04248786 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 -0.0230 1.3800 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.0490 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -0.6740 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -2.0600 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 -2.6930 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -1.9470 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -0.5660 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 0.0720 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 -2.6410 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 -2.8770 1.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 -4.0290 2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 -3.8190 3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2890 -2.5760 3.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0830 -1.9960 2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 -0.3600 1.7800 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.3480 0.1590 3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8540 1.5720 3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7020 2.1690 2.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4750 2.1720 4.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8590 3.5100 4.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2870 4.0250 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6720 5.3580 2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6380 6.1890 3.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2090 5.7040 5.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8190 4.3470 5.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3960 3.8620 6.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3700 4.6980 7.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7580 6.0300 7.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1640 6.5380 6.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 1.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 1.7470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.7330 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -2.6430 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 -3.7720 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 0.0150 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 1.1510 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7500 -2.0140 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 -3.5940 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 -4.9300 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -4.5280 4.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1820 -0.5040 3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6180 0.1140 4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6560 1.6730 5.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3230 3.3870 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0030 5.7400 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9410 7.2210 3.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0930 2.8310 6.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0450 4.3220 8.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7290 6.6720 8.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4610 7.5730 6.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 25 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 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M END