IFLAB-ZINC04280062 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 1 0 0 0 0 0999 V2000 0.4620 2.4150 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 0.9010 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 0.1880 2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -1.3250 1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -2.0380 3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -3.5520 2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -5.6950 3.8570 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3290 -5.9440 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -6.3430 4.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 -5.9240 3.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -5.1810 2.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9430 -6.3760 4.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1190 -6.0790 3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3040 -5.8900 4.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4640 -5.5980 3.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4560 -5.4900 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 -5.6810 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1070 -5.9780 2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6950 -5.1770 1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7290 -5.0110 2.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6830 -5.0610 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -6.2090 4.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -5.4390 4.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 2.7190 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 2.9230 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 2.6810 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 0.5970 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 0.6350 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 0.4920 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 0.4550 3.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -1.6290 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -1.5920 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -1.7340 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -1.7720 4.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -3.8560 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -3.8180 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 -6.0220 5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 -7.4280 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -6.9080 5.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 -5.9730 5.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3830 -5.4510 4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -5.5990 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 -6.1310 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 -4.0300 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6560 -5.3550 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9130 -5.7150 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -4.2360 4.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -3.9230 4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -7.5220 4.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -7.8040 4.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 47 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 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 M END