IBS-ZINC02138680 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -1.9980 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -2.6920 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -4.1680 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -4.8450 2.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -4.7920 -0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -6.2290 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -6.4090 -0.8200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6360 -7.4560 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -5.5580 -2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -5.6560 -3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -6.5170 -3.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 -6.3160 -4.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -5.3100 -5.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -4.4440 -5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -4.6250 -4.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -3.9650 -3.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -3.2100 -3.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -4.5280 -2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -4.1060 -1.3290 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4220 -2.6220 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -1.9420 -2.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -4.5440 -1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -5.9840 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -4.6890 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -4.2990 1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 -5.2040 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 -6.5000 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -6.8950 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -8.1720 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -9.0550 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -2.3090 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -2.4930 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -6.6150 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -6.7660 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -7.3040 -2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -6.9620 -5.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 -5.1980 -6.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -3.6650 -6.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -4.2820 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -4.0380 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -5.6220 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -3.9800 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -3.2860 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 -4.8970 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4100 -7.2060 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -8.6620 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -9.1380 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 -10.0390 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END