IFLAB-ZINC05258390 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -1.1860 1.2230 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -0.1070 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -0.7940 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -2.0140 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -2.5520 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -1.8710 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.6470 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 0.0420 -2.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -0.6320 -3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -1.8440 -3.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 0.1210 -4.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -0.8710 -6.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0830 -0.3250 -6.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -1.7440 -5.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -2.9410 -5.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -2.5860 -7.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -3.4970 -7.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -1.7980 -5.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -0.8870 -5.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -3.8590 0.1300 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5680 -4.4600 1.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -4.3330 -0.8700 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4740 2.0220 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 1.3610 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 1.2480 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -0.3760 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -2.5480 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -2.2910 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 1.0050 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 0.7910 -4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 0.7040 -4.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -1.9770 -8.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -3.1940 -7.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -4.1250 -6.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -4.1280 -7.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 -1.1900 -5.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -2.4060 -4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -0.2570 -5.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -0.2590 -6.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -1.1900 -5.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -1.7100 -6.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 -2.6740 -6.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -3.2500 -6.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -1.7900 -5.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 41 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 42 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 40 44 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END