IBS-ZINC04870836 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 1.3240 1.7430 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 0.5620 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 -0.1490 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.7620 1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -1.8960 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -2.4790 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 -3.8720 1.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -4.2870 1.2980 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5990 -3.7570 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -5.8270 1.1120 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0960 -6.1660 1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -4.9250 2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -4.9030 2.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -7.2840 1.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4950 -6.2180 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -5.4710 -1.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 -7.5370 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 -7.7200 -2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 -8.9390 -2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -9.9730 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -9.8100 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 -8.5910 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6330 -11.1450 -1.9990 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 -3.8930 2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -3.3400 1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 -2.9810 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 -3.1770 3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 -3.7340 4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 -4.0930 3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 1.4270 3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 2.4810 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 2.2440 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 0.8500 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 0.1100 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -0.5040 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 0.9390 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -1.8550 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -0.4060 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -0.4800 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 -1.8290 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -2.5310 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -1.8990 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -2.4490 2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -6.3200 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -6.9190 -2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -9.0860 -3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -10.6370 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -8.5090 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8800 -3.1840 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -2.5530 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7230 -2.8990 4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 -3.8920 5.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 -4.5270 4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -0.4930 1.2150 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2270 -0.4910 2.2000 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 33 1 0 0 0 0 2 34 1 0 0 0 0 2 54 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 3 54 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END