IBS-ZINC02128009 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 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 0.7420 -0.5110 1.2420 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 -1.4160 -2.0580 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7890 -2.4840 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.5900 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -3.2160 -0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -2.3710 1.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -1.8700 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -2.8880 1.2740 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9580 -3.8470 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 -3.0740 2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -4.1410 3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 -3.7960 3.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -4.7750 4.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -6.0970 4.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -6.4410 3.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -5.4620 3.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8510 -1.9120 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 -0.8880 0.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -2.4260 -1.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -2.0010 -2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -2.2860 -3.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -3.0410 -3.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -3.3470 -5.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -4.1160 -5.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -4.5940 -4.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -4.3060 -3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -3.5280 -2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -3.1830 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -3.5660 -0.5060 O 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 -2.1350 3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2620 -3.3740 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7980 -2.7630 3.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -4.5060 4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -6.8620 4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -7.4740 3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 -5.7300 2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -1.3950 -2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -2.9820 -6.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -4.3520 -6.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -5.1960 -4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -4.6800 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 -2.1790 0.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7480 -1.5220 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 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 7 1 0 0 0 0 5 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 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 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 54 55 1 0 0 0 0 M END