ANALYTICONDISCOVERY-ZINC08254007 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 77 0 0 1 0 0 0 0 0999 V2000 2.6280 -0.0550 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -0.0540 1.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 0.4540 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 1.8480 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 2.4160 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 1.5920 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 0.2000 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -0.4100 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -1.7880 -0.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -2.6630 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -3.6650 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -4.3570 -0.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -3.4450 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -2.4590 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -5.7410 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -6.4100 -1.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -6.4360 1.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8990 -5.8260 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -6.5360 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -8.2090 3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -8.2850 2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -7.8510 0.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6680 -7.8330 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -8.8830 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -9.0370 1.4510 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2710 -9.9790 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -9.0370 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -9.3630 1.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 -10.3070 1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 -10.1910 2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -9.2060 3.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -8.6990 2.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7070 -10.9600 3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 -12.0060 2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3330 -12.7310 2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9980 -12.4230 3.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5180 -11.3890 4.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3850 -10.6620 4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1400 -11.0510 5.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -0.5580 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -0.6090 -0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 0.9660 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 2.4860 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 3.4970 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 2.0280 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 -0.4130 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -3.2030 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -2.1020 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -4.3760 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -3.1320 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -3.9870 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -2.9060 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -1.7670 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -3.0170 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -5.8300 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -6.3710 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -9.1480 3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -7.3950 4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -7.6490 2.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -9.3080 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -8.6190 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -9.8570 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -8.0740 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 -9.7910 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -10.9410 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 -12.2810 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6980 -13.5370 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8780 -12.9930 4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -9.8600 4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9100 -11.6300 5.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -7.9260 2.4960 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0570 -7.9600 3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 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 19 1 0 0 0 0 17 22 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 19 71 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 71 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 71 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 30 2 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 2 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 34 66 1 0 0 0 0 35 36 1 0 0 0 0 35 67 1 0 0 0 0 36 37 2 0 0 0 0 36 68 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 69 1 0 0 0 0 39 70 1 0 0 0 0 71 72 1 0 0 0 0 M CHG 1 71 1 M END