IBS-ZINC05577380 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 1.0890 1.7090 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 0.3760 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 0.0300 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -1.1920 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -2.0720 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -1.7280 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -0.4940 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -2.6710 -2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -3.8890 -2.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -4.3660 -4.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -3.4320 -4.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -2.4710 -3.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -5.6780 -4.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -6.8510 -3.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -8.0740 -4.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -8.1450 -5.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -6.9930 -6.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -5.7490 -6.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -4.5130 -6.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -3.4280 -6.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -4.5890 -8.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -3.3640 -8.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -3.7280 -10.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -4.4540 -10.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -2.4520 -11.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 1.6070 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 2.0460 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 2.4380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 0.7150 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -1.4570 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -3.0260 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -0.2210 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -6.8040 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -8.9810 -3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -9.1070 -6.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -7.0560 -7.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -5.4550 -8.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -2.7870 -8.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -2.7700 -8.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -4.3790 -10.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 -3.8020 -10.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 -4.7130 -11.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -5.3620 -9.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -1.9360 -11.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -2.7120 -12.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -1.8010 -10.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 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 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END