IBS-ZINC05111911 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.3670 1.5320 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 0.0040 -0.1460 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7580 -0.3060 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -0.5080 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -1.9780 1.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -2.5020 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -1.9700 -1.3220 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5100 -2.3100 -2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -0.5400 -1.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -2.4880 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -2.4810 2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -1.6370 3.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -2.0840 4.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -3.4570 4.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -4.3120 3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -3.7930 2.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -5.6860 3.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -6.3010 2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -7.8040 2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -7.7880 4.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -6.2850 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -9.8580 3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -3.9940 5.7940 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4750 -4.2080 6.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 -4.2220 5.8480 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9600 -1.1940 5.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 1.8410 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 1.8960 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 1.9460 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -0.1520 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -0.1420 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -2.1780 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -3.5920 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -2.1470 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -2.1080 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -3.5780 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -6.1380 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -5.8500 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 -8.2660 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -7.9670 3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -7.9500 4.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -8.2380 3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -5.8220 4.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -6.1220 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -10.0850 4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -10.2950 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -10.2760 3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -0.2390 5.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -1.5270 6.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -8.4020 2.9670 N 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 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 50 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END