IBS-ZINC04661845 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 60 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -2.5220 2.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -3.8560 2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -4.5980 1.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -4.3680 3.6240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -5.8320 3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -6.4780 3.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -6.9820 5.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -6.7350 5.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -6.3560 6.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -4.9400 7.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -4.0600 7.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -2.8680 6.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -2.8990 6.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -2.5740 5.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -3.5260 4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -4.4990 6.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -5.2690 5.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -3.2060 6.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 -2.8010 6.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -1.3080 6.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 -0.8820 5.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7660 0.6110 5.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -6.2600 3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -6.0020 4.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -5.7340 3.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -7.2970 3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -5.9190 4.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -7.6350 5.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -7.0070 7.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -6.4530 7.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -3.7070 8.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -4.6140 8.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -2.9230 5.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -1.9410 7.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.6750 4.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -1.5480 5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 -4.1610 5.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 -2.9560 4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -2.9910 4.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -3.3710 6.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 -1.1180 7.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -0.7380 5.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 -1.0720 4.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3540 -1.4520 6.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 1.1810 5.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7120 0.9150 5.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 0.8010 6.9970 H 0 0 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 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 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 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 19 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 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 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 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 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 M END