IFLAB-ZINC01078757 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -0.0670 1.5290 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 0.0230 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.6780 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.0600 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.7410 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.0410 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.6590 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.5030 -0.0080 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -4.8830 -1.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -4.9020 1.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -5.0260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -4.7620 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -4.1420 -2.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -5.2380 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3910 -4.8390 -2.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 -5.1910 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3420 -5.9070 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6660 -6.2640 -1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3550 -5.9120 -2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7250 -5.2010 -3.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 -4.8280 -3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 -4.0620 -4.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -3.7430 -4.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3800 -3.7160 -5.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7670 -2.9070 -6.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 -3.0320 -6.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -2.2320 -7.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 -1.3080 -8.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9080 -1.1800 -8.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5180 -1.9820 -7.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 1.9130 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 1.8890 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 1.8750 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -0.1450 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -2.6070 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -2.5740 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -0.1120 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -5.5220 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 -6.3250 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -4.8000 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8120 -6.1850 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1680 -6.8220 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3910 -6.1960 -2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2660 -4.9290 -4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 -4.0270 -5.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8200 -3.7540 -6.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -2.3290 -8.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -0.6830 -9.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4910 -0.4560 -8.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5770 -1.8850 -7.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 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 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END