IBS-ZINC05164942 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 61 0 0 1 0 0 0 0 0999 V2000 1.0260 1.6770 2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 0.3840 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -0.1740 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -0.9990 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.9300 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -2.5490 2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -3.9680 1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -4.5610 3.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -5.8490 2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -6.5300 1.8040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -7.7710 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3160 -8.3500 2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 -7.6040 3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -6.3660 3.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0870 -8.1400 5.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 -8.2590 6.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 -8.9850 7.3410 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1770 -9.0590 8.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 -8.1980 7.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 -8.0470 6.5440 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3540 -9.0320 6.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 -7.3480 5.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -7.2110 6.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 -10.3890 6.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 -9.7280 2.6960 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0090 -9.9120 2.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -10.6770 2.9580 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5120 -8.4760 0.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 1.4710 3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 2.4110 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 2.0690 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 0.5900 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -0.0080 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -0.3200 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 0.8820 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -2.0420 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -0.9240 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -0.6180 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -1.8260 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -2.5730 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -1.9440 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -2.5840 3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -4.5730 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -3.9330 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -4.0520 3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -7.2640 6.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -8.8240 5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -7.2120 8.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6270 -8.7340 8.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9210 -7.2520 4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9570 -6.3580 5.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7880 -7.7090 7.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9070 -7.1040 6.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9240 -6.2260 7.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 -10.3140 6.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 -10.9060 7.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 -10.9470 6.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 -8.0660 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 -9.3800 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.6060 1.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 60 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 60 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END