IFLAB-ZINC04941639 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 0.0360 1.8900 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 0.3670 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -0.0800 1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -1.5220 1.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -2.0250 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -2.1740 2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 -2.6990 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -2.3870 2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -3.5820 1.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -1.8750 2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -0.6810 2.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -2.7380 3.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -2.2710 3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -1.1390 3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -1.0360 4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 -2.0620 4.8740 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -2.8530 4.6820 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -4.0340 5.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -4.1450 6.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 -5.3100 7.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -6.3660 6.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -6.2590 5.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -5.0990 4.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 0.1680 3.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1470 0.7220 2.0860 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 -0.0340 2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 2.3500 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 2.2160 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 2.1890 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -0.0940 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 0.0610 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 0.4480 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 0.1480 2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -2.9950 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -1.3240 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 -1.2040 2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 -2.8750 2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 -3.6690 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 -1.9970 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 -2.8040 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -3.6850 3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -3.3200 7.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -5.3960 8.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -7.2760 7.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 -7.0860 4.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 -5.0180 3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8100 -0.1250 3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6260 0.9500 4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 0.6980 2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -0.4500 1.3330 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M END