IFLAB-ZINC01805605 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.0220 1.8820 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.3770 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.2830 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -1.6690 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -2.3160 -0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -1.6550 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.3300 -1.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -2.5570 -2.7400 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -1.1880 -3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -1.7370 -5.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -1.9750 -6.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -2.4360 -7.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -2.6400 -7.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -2.1610 -6.2760 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -3.1400 -8.8310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -3.5840 -9.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -3.5220 -11.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -3.9620 -12.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -4.4630 -11.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 -4.5260 -10.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -4.0940 -9.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -5.0230 -12.7130 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 -4.9450 -12.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -4.3560 -13.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -6.6320 -12.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -2.4280 2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 2.2060 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 2.2330 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 2.2940 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 0.2700 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -0.5450 -3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -0.6110 -3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -3.1800 -9.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -3.1300 -11.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -3.9140 -13.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 -4.9180 -9.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -4.1480 -8.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -7.0760 -12.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -7.1290 -13.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -2.5730 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -3.3980 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -1.8620 3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 33 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 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 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 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END