IBS-ZINC02282865 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -1.1970 1.1740 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -0.1720 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.7280 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -1.9630 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -2.6460 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -2.0900 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -0.8520 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -0.2480 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.7790 -2.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -4.1210 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -4.7420 -1.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -4.8500 -3.7240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5870 -4.5870 -4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -6.3650 -3.4800 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1690 -6.8870 -4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -6.7440 -2.8500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 -6.0890 -3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 -6.5040 -2.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -4.9880 -3.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -4.4840 -4.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -3.7260 -5.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -6.7390 -2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -7.4270 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 -7.7700 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 -7.4250 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -6.7360 -2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -6.3890 -2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6010 -6.3670 -2.4520 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5270 -6.6700 -1.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 -5.7600 -3.4860 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4810 1.9570 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 1.2240 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 1.3150 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -0.1970 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -2.3950 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -3.6100 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 0.3560 -2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -1.0440 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 0.3800 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -2.2910 -3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -7.4980 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 -4.5490 -4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -3.3510 -5.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -3.4790 -5.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -7.6960 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -8.3080 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -7.6930 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -5.8480 -3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 21 43 1 0 0 0 0 21 44 1 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 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END