IBS-ZINC04857161 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 53 0 0 1 0 0 0 0 0999 V2000 -3.4010 -0.3020 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -1.5820 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -1.7670 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -2.9410 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -3.9300 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -3.7450 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -2.5730 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -5.2100 -0.4620 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8680 -5.9970 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -4.9860 -0.3300 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2620 -3.9340 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -5.8320 -1.4750 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2280 -5.2390 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -6.8990 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -7.7790 -1.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -6.7190 0.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -5.6600 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -5.3060 2.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -7.5550 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -7.3070 1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 -8.1330 2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 -9.2050 3.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 -9.4540 2.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 -8.6280 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -10.6020 3.5490 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5510 -11.3280 4.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -10.8220 3.1920 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5880 -4.4480 -2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -5.0380 -4.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -6.3410 -3.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 0.4250 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 -0.5020 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 0.0960 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.9950 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -3.0860 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 -4.5180 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -2.4300 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 -6.4710 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 -7.9410 3.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5310 -9.8490 4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -8.8210 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -3.7130 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -3.9990 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -5.2450 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -4.3560 -4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -7.1900 -4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -6.3050 -3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -6.4460 -2.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 -5.6260 -1.8720 N 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 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 49 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END