IFLAB-ZINC04942567 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 0.2310 2.3080 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 2.2840 2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 2.7760 4.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 2.2200 3.9610 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 2.3860 2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 1.9090 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 1.5680 4.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 1.3600 6.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 0.7090 7.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 0.4790 8.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 0.2780 6.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4490 -0.4240 7.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 -0.9490 8.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1600 -1.5810 9.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 -1.9450 10.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1210 -1.5610 10.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 -0.9790 9.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -1.7630 11.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -1.3730 12.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -1.5730 13.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -2.1570 13.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -2.5450 11.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -2.3600 10.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -2.7800 9.4400 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5500 -3.3380 9.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -2.5950 8.5660 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4930 0.8520 4.9270 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 1.2480 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 2.8970 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 2.5580 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 2.7730 3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 1.2040 3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 2.4380 5.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 3.8650 4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 1.7910 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 3.4380 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 0.8350 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 2.1270 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4220 -0.5590 6.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2140 -1.7260 9.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8790 -2.4380 11.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1600 -0.9180 12.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -1.2750 14.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -2.3110 13.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -2.9980 11.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 2.6080 1.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 46 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 39 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 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 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 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END