IBS-ZINC05163592 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -2.8180 0.5000 -1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -0.8260 -1.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -1.1680 -2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -0.2450 -2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.5890 -3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -1.8580 -3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -2.7860 -2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -2.4370 -1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -4.0690 -2.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -4.7880 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -6.1040 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -6.7860 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -6.1610 1.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -4.9070 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -4.2260 -0.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -4.2900 1.8980 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -5.0280 3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -4.4620 4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -5.1920 5.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 -6.4880 5.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -7.0550 3.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -6.3270 2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 -7.4040 6.6400 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -8.0980 0.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -6.7640 -2.2280 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2010 -6.6960 -2.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -7.3750 -3.0900 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3180 -2.1960 -4.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -1.1930 -4.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 1.2200 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 0.6490 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 0.6410 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 0.7440 -3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 0.1310 -4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -3.1540 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -4.4560 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -3.3460 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -3.4500 4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -4.7520 6.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -8.0660 3.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -6.7680 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -8.5480 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -8.5670 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -0.8970 -5.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 -0.3260 -4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -1.5930 -5.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END