ANALYTICONDISCOVERY-ZINC04221522 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 84 0 0 1 0 0 0 0 0999 V2000 0.2350 -2.3660 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.9310 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -0.1390 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 1.1580 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 1.1440 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.1650 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -0.6980 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -1.9040 -2.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 0.2350 -3.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -0.1040 -4.9400 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0780 -1.1430 -5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 0.8530 -5.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 2.0600 -6.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0910 2.5380 -6.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 1.4610 -6.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 0.1200 -5.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 2.1230 -6.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 3.1770 -7.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 1.4760 -6.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9410 0.3910 -6.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 1.8750 -5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0280 1.1260 -4.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0040 1.2660 -6.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 0.8910 -7.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0640 1.6710 -7.6650 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5710 1.2190 -8.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 3.1160 -8.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 4.0040 -7.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 3.3170 -9.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 2.3700 -10.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3970 3.0690 -11.6770 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0040 2.3700 -12.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 4.1580 -11.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 4.5790 -9.7860 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1590 4.9320 -8.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 5.7370 -10.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 5.4570 -11.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 3.6600 -12.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 3.2210 -13.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 2.2630 -14.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 3.9660 -14.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 5.0150 -14.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 5.4070 -15.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 4.6000 -16.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 3.7350 -15.8630 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 2.7330 -16.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 3.0920 -4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 2.6530 -3.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -2.8460 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -2.6180 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -2.6860 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -0.5580 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 2.0220 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 2.0160 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 1.2640 -3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3760 -6.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 1.1130 -5.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 0.0250 -4.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -0.5840 -6.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 2.9560 -5.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 1.6610 -4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 1.4930 -3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 0.0630 -4.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3760 2.2970 -6.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8770 0.6280 -5.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1120 1.0530 -8.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 -0.1840 -7.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 1.4740 -10.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 2.0880 -10.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2210 3.7120 -10.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4880 4.9880 -11.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 4.4660 -12.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 5.4640 -13.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 6.1940 -15.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 4.5730 -17.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1030 1.7460 -16.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 2.8030 -17.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 2.9220 -16.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7560 6.8510 -9.6320 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3490 4.2230 -5.2390 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 53 1 0 0 0 0 5 6 2 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 56 1 0 0 0 0 12 57 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 58 1 0 0 0 0 16 59 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 25 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 38 1 0 0 0 0 33 34 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 36 79 1 0 0 0 0 38 39 1 0 0 0 0 38 72 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 41 45 1 0 0 0 0 42 43 1 0 0 0 0 42 73 1 0 0 0 0 43 44 2 0 0 0 0 43 74 1 0 0 0 0 44 45 1 0 0 0 0 44 75 1 0 0 0 0 45 46 1 0 0 0 0 46 76 1 0 0 0 0 46 77 1 0 0 0 0 46 78 1 0 0 0 0 47 48 2 0 0 0 0 47 80 1 0 0 0 0 M CHG 1 79 -1 M CHG 1 80 -1 M END