IBS-ZINC02284245 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 0 0 0 0 0 0999 V2000 0.1170 2.4590 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.9950 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 0.1190 -1.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -0.3410 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -1.1500 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -1.6140 -2.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -2.4320 -3.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -1.0820 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -0.2400 -2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 0.2370 -2.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -0.1100 -3.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -0.9320 -4.6730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -1.4030 -4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 0.4010 -4.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 0.1000 -5.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 -0.2110 -5.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 0.8180 -4.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 0.9920 -3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 1.3370 -3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7040 1.4760 -5.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1370 1.1390 -6.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2180 2.5210 -4.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4570 3.1980 -4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4170 2.7120 -5.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6410 3.3540 -5.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9320 4.4940 -4.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0050 5.0100 -4.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7460 4.3730 -3.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8630 4.9710 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2090 6.1210 -2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4460 6.7150 -2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3370 6.1630 -3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -1.5270 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -1.9580 0.2450 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1740 2.7310 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 2.6750 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 3.1020 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 0.8460 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 0.7450 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 0.0270 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -2.0620 -5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 0.9740 -6.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -0.7510 -6.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3570 -0.3250 -6.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 -1.1640 -4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 1.7400 -2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 0.0350 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 1.3500 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 2.3490 -3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 2.8630 -3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2470 1.8120 -6.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3700 2.9580 -6.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8970 4.9770 -5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8760 4.5640 -2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5070 6.5500 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7190 7.6080 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3010 6.6480 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -1.3080 -1.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 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 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 2 0 0 0 0 M CHG 1 34 -1 M END