IBS-ZINC02586868 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 -0.3620 1.3070 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 1.0880 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 3.1930 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 3.5450 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 5.0300 2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 5.3800 3.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 5.7670 4.6920 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7660 4.8550 5.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 6.0470 5.6580 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5500 7.4680 6.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 7.8790 7.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 9.2280 7.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 9.6270 8.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 8.7850 9.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 7.4880 9.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 6.9880 8.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 8.3130 5.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 5.6630 4.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7960 5.5870 5.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 5.3090 3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 4.9830 2.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 6.8540 4.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 6.6910 5.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 7.6700 5.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 8.8290 4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 9.0080 3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 8.0280 3.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 9.8060 4.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 9.6370 4.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 10.8820 3.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 11.8740 3.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 0.2160 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 1.7470 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 1.6830 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 1.5580 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 0.0130 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 1.2550 2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 3.5270 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 3.6410 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 2.9450 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 3.3120 3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 5.6490 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 5.2600 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 9.9610 7.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 10.6650 9.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 6.8330 9.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 5.9290 7.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 5.3350 6.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 5.7990 5.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 7.5210 5.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 9.9020 3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 8.1900 3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 12.6870 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 12.2790 4.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 11.4530 2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 1.6920 0.8240 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6970 1.2680 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 56 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 56 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 56 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 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 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END