ANALYTICONDISCOVERY-ZINC08295584 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 71 0 0 1 0 0 0 0 0999 V2000 -0.2730 1.5150 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -0.0040 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -0.6030 -1.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2760 -0.2400 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -0.1380 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -0.7080 0.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 -2.1750 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -2.7360 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -2.1590 -1.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2190 -2.4540 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -2.7260 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -4.1560 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -4.7140 -2.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -4.7370 -1.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -3.9060 -1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -3.3460 -3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -6.1320 -1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -6.8740 -1.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -6.6560 -2.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -8.0830 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0720 -8.3950 -2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 -9.9020 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3810 -10.0010 -4.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0750 -11.6210 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 0.1650 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 1.3870 0.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 -0.4130 1.9630 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 0.3610 3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 0.5550 4.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -0.3310 3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 2.0050 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 1.8430 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 1.8640 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.2850 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -0.4080 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -0.4790 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.9530 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -2.5430 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -2.5520 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -3.8280 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -2.5130 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -2.7160 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -2.0830 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1860 -4.4960 -1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -3.0810 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -4.1440 -3.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 -2.7410 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -2.7130 -3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -6.0480 -2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 -8.5280 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -8.4980 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 -7.8910 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3890 -7.9840 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8090 -10.4310 -3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9530 -10.3010 -1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 -10.6350 -4.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2800 -8.9450 -4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4420 -10.2630 -3.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 -11.7040 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5580 -12.3270 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1570 -11.7780 -2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -1.4030 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2830 1.3460 2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6010 1.1450 4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 1.0790 3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -0.4080 4.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9940 -0.4580 2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8580 0.2570 4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 -1.3260 3.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7910 -10.2210 -2.6580 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2810 -9.5890 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 17 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 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 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 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 70 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 70 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 70 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 70 71 1 0 0 0 0 M CHG 1 70 1 M END