IFLAB-ZINC02456488 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 0.7950 1.2140 4.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -0.1720 4.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -0.7750 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 0.0000 3.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 -0.5890 2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 0.1890 2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3560 1.5760 2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 2.1790 3.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 1.4060 3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 1.9990 3.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 -0.5260 2.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6570 0.2140 1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7700 -0.7100 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6100 -1.9310 1.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9650 -0.0950 0.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0870 -0.9160 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6090 -0.4100 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8890 1.0270 -1.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7820 1.8620 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2480 1.3480 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1360 1.4860 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0890 0.7590 -1.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3370 2.9380 -1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2660 3.5760 -0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4670 4.9500 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7560 5.6910 -1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8460 5.0190 -2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6380 3.6450 -2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9770 7.1810 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8020 7.7220 -1.2170 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1120 1.6840 4.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.7840 4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -1.8600 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3950 -1.6710 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1870 2.2210 2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 3.2630 3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 3.0790 4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4010 0.8920 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0440 0.7630 2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8750 -0.8430 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8040 -1.9690 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4950 -0.9810 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 -0.5630 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 2.9060 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9930 1.8190 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3700 1.9290 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0060 1.4920 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8300 3.0160 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1890 5.4550 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3030 5.5760 -3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9370 3.1400 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3220 7.7790 -2.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 2 0 0 0 0 M CHG 1 30 -1 M END