IBS-ZINC04652796 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 1.1630 1.4390 2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0160 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.7710 2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -2.1910 1.5740 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2950 -2.1460 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -2.8900 1.0730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4440 -2.9220 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -5.0480 1.7840 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3430 -6.0660 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -4.4130 2.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1770 -4.4040 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -2.9770 2.7530 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1320 -2.9920 3.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -2.3590 3.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -5.2230 3.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -5.0770 2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -4.4540 2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 -4.4800 3.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -5.1310 4.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -5.7540 5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -5.7320 4.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -5.1640 6.1780 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -2.1310 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -1.2160 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -0.5180 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -0.7360 -2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -1.6530 -2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -2.3450 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 0.1380 -3.6070 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 1.4680 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 1.9770 2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 1.9070 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -0.0450 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -0.4850 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -0.8180 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -0.2520 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -3.0860 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -3.8380 4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -2.0650 4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -2.8060 3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -6.2860 3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -5.0230 3.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -4.9370 4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -3.9470 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 -3.9930 3.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 -6.2620 6.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -6.2220 4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -1.0460 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 0.1960 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -1.8230 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -3.0570 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -4.2600 0.6560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -4.7110 0.2330 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 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 52 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 52 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M END