IBS-ZINC02137849 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 1.2940 0.8010 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -0.6050 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -1.0650 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -0.6100 0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1500 0.1580 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -0.2540 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -0.5380 -2.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 0.3280 -1.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 0.7960 -2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 2.2980 -2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 2.8290 -3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 4.3450 -3.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 4.8900 -5.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5490 6.4110 -5.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 7.0450 -4.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -1.8920 0.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -3.0940 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -4.2540 0.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -4.3010 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 -5.5450 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 -5.6300 2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 -4.4690 2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 -3.2220 2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 -3.1490 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -1.8500 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -0.8090 1.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 0.8060 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.1480 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 1.5280 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.2740 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.4330 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -2.0990 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -1.0160 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 0.4310 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 0.2480 -3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 0.5650 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 2.8230 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 2.5140 -2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 2.3340 -4.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0050 2.5820 -3.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 4.8330 -3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 4.5920 -4.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 4.4260 -6.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6660 4.6180 -5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -3.0230 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -6.4520 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 -6.6040 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 -4.5370 3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 -2.3180 2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2650 6.8490 -6.2890 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 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 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 50 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 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 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 50 -1 M END