ANALYTICONDISCOVERY-ZINC05399522 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 75 0 0 1 0 0 0 0 0999 V2000 0.4960 -1.1570 2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -2.1420 1.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -2.8030 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -2.4390 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -1.8310 1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -2.1390 1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -3.0810 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -3.6800 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 -3.3670 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3640 -3.4250 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7570 -4.6910 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1030 -4.8720 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0180 -3.9000 -0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5670 -2.6960 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2680 -2.4290 0.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4450 -1.6550 0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8740 -1.7830 0.0630 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.0700 -2.2040 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5740 -2.5940 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9370 -2.1390 1.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9930 -0.8200 0.6400 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.3750 -0.1260 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5910 -0.4420 0.1920 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.1050 0.2180 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6800 0.2390 -1.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0660 0.3130 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7980 -0.7680 -0.6500 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.7180 -1.7280 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2000 -0.4460 -0.4670 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.1880 -0.9330 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9850 -1.7130 -2.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.5800 -0.3920 -0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3440 -1.0770 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5710 -2.5820 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0380 -2.8490 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7120 -1.5660 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7840 -0.4840 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6480 -0.9350 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2610 0.5030 1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1610 0.8770 1.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -1.0290 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.1740 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -1.4660 3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -3.8870 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -2.5830 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -2.4690 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -1.0950 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -1.6320 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -4.3980 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -3.8790 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 -5.5130 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4970 -5.8350 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0210 -0.7810 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5650 -3.6680 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1300 -2.4330 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4250 1.3170 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1630 0.1810 -2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4890 0.1960 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5060 0.6900 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1570 -0.4990 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3910 -2.7930 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9170 -3.2470 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.4180 -3.7250 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1850 -3.0100 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7590 -1.5160 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.7290 -1.4710 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0690 -0.2670 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8970 0.4490 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2900 -1.3380 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7370 -1.5460 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0620 1.1250 2.6420 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 6 48 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 49 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 51 1 0 0 0 0 12 13 1 0 0 0 0 12 52 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 38 39 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 39 40 2 0 0 0 0 39 71 1 0 0 0 0 M CHG 1 71 -1 M END